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 2 assignments used, quality = 1.00: HA3 GLY 2 + H HIS 3 OK 100 100 100 100 2.1-3.5 3.6=100 * HA2 GLY 2 + H HIS 3 OK 100 100 100 100 2.2-3.6 3.6=100 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 2 assignments used, quality = 1.00: * HA3 GLY 2 + H HIS 3 OK 100 100 100 100 2.1-3.5 3.6=100 HA2 GLY 2 + H HIS 3 OK 100 100 100 100 2.2-3.6 3.6=100 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 - 6.0-12.1 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 2.2-4.0 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 3 assignments used, quality = 1.00: * HB3 HIS 3 + H HIS 3 OK 100 100 100 100 2.5-4.0 4.0=100 HB2 HIS 6 - H HIS 3 far 0 100 0 - 6.9-14.1 HB3 HIS 6 - H HIS 3 far 0 97 0 - 8.4-13.6 Violated in 0 structures by 0.00 A. Peak 6009 from nnoeabs.peaks (8.52, 8.52, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 4 + H HIS 4 OK 100 100 - 100 Peak 6010 from nnoeabs.peaks (8.38, 8.52, 118.99 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 3 + H HIS 4 OK 100 100 100 100 1.9-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 6011 from nnoeabs.peaks (4.61, 8.52, 118.99 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 3 + H HIS 4 OK 100 100 100 100 2.1-3.6 3.6=100 HA HIS 6 - H HIS 4 far 0 60 0 - 6.2-9.2 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 2.3-2.9 2.9=100 HA HIS 6 - H HIS 4 far 5 100 5 - 6.2-9.2 HA HIS 7 - H HIS 4 far 0 99 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 6017 from nnoeabs.peaks (8.53, 8.52, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H HIS 4 + H HIS 4 OK 99 99 - 100 Reference assignment not found: H HIS 5 - H HIS 4 Peak 6018 from nnoeabs.peaks (8.53, 8.53, 121.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 5 + H HIS 5 OK 100 100 - 100 H ALA 46 + H ALA 46 OK 91 91 - 100 Peak 6019 from nnoeabs.peaks (8.52, 8.53, 121.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H HIS 5 + H HIS 5 OK 99 99 - 100 H ALA 46 + H ALA 46 OK 84 84 - 100 Reference assignment not found: H HIS 4 - H HIS 5 Peak 6023 from nnoeabs.peaks (4.41, 8.53, 121.63 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 5 + H HIS 5 OK 100 100 100 100 2.8-2.9 2.9=100 HA CYS 73 - H ALA 46 far 0 58 0 - 8.2-10.8 HA SER 9 - H HIS 5 far 0 89 0 - 8.8-16.2 Violated in 0 structures by 0.00 A. Peak 6026 from nnoeabs.peaks (8.69, 8.69, 121.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 7 + H HIS 7 OK 100 100 - 100 Peak 6027 from nnoeabs.peaks (4.64, 8.69, 121.41 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 6 + H HIS 7 OK 100 100 100 100 2.1-3.6 3.6=100 HA HIS 7 + H HIS 7 OK 99 99 100 100 2.3-2.9 2.9=100 HA HIS 4 - H HIS 7 far 0 100 0 - 6.7-9.8 HA HIS 3 - H HIS 7 far 0 60 0 - 9.5-13.4 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 1.9-4.5 4.4=100 HB3 HIS 7 + H HIS 7 OK 100 100 100 100 2.7-4.1 3.9=100 HB3 HIS 6 + H HIS 7 OK 98 98 100 100 2.0-4.4 4.4=100 HB2 HIS 8 - H HIS 7 poor 5 81 30 20 3.9-7.7 ~11936=13, 77/2.9=4, 76=2 HB3 HIS 3 - H HIS 7 far 0 100 0 - 8.9-15.1 HB2 HIS 10 - H HIS 7 far 0 87 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 6029 from nnoeabs.peaks (3.17, 8.69, 121.41 ppm; 5.20 A): 3 out of 5 assignments used, quality = 1.00: * HB3 HIS 6 + H HIS 7 OK 100 100 100 100 2.0-4.4 4.4=100 HB2 HIS 6 + H HIS 7 OK 98 98 100 100 1.9-4.5 4.4=100 HB3 HIS 7 + H HIS 7 OK 97 97 100 100 2.7-4.1 3.9=100 HB3 HIS 3 - H HIS 7 far 0 97 0 - 8.9-15.1 HB2 HIS 10 - H HIS 7 far 0 98 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 6030 from nnoeabs.peaks (4.65, 8.69, 121.41 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HA HIS 7 + H HIS 7 OK 100 100 100 100 2.3-2.9 2.9=100 HA HIS 6 + H HIS 7 OK 97 99 100 98 2.1-3.6 3.6=97, 58/4.4=21...(9) HA HIS 4 - H HIS 7 far 0 99 0 - 6.7-9.8 Violated in 0 structures by 0.00 A. Peak 6031 from nnoeabs.peaks (3.11, 8.69, 121.41 ppm; 6.06 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 7 + H HIS 7 OK 100 100 100 100 2.2-4.0 3.9=100 HB2 HIS 8 - H HIS 7 poor 17 78 75 29 3.9-7.7 ~11936=18, 77/2.9=12 HB2 HIS 4 - H HIS 7 far 10 99 10 - 6.2-11.0 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 2.7-4.1 3.9=100 HB2 HIS 6 + H HIS 7 OK 100 100 100 100 1.9-4.5 4.4=100 HB3 HIS 6 + H HIS 7 OK 97 97 100 100 2.0-4.4 4.4=100 HB2 HIS 8 - H HIS 7 poor 5 85 30 21 3.9-7.7 ~11936=13, 77/2.9=5, 76=2 HB3 HIS 3 - H HIS 7 far 0 100 0 - 8.9-15.1 HB2 HIS 10 - H HIS 7 far 0 83 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 6034 from nnoeabs.peaks (8.66, 8.66, 120.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 8 + H HIS 8 OK 100 100 - 100 H HIS 67 + H HIS 67 OK 75 75 - 100 Peak 6036 from nnoeabs.peaks (4.65, 8.66, 120.36 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.85: * HA HIS 7 + H HIS 8 OK 85 100 100 85 2.2-3.3 3.6=80, 69/4.6=12...(6) HA HIS 6 - H HIS 8 far 15 99 15 - 3.4-6.7 HA HIS 4 - H HIS 8 far 0 99 0 - 8.6-13.6 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 2.0-4.5 4.6=100 HB2 HIS 8 + H HIS 8 OK 78 78 100 100 2.2-4.0 4.0=100 HB3 CYS 45 - H HIS 67 far 0 57 0 - 6.7-9.7 HB2 HIS 4 - H HIS 8 far 0 99 0 - 8.1-14.7 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 2.1-4.4 4.6=100 HB2 HIS 8 + H HIS 8 OK 85 85 100 100 2.2-4.0 4.0=100 HB2 HIS 10 - H HIS 8 far 8 83 10 - 5.4-9.5 HB3 HIS 6 - H HIS 8 poor 8 97 30 28 2.6-7.6 72/6036=11, 116/4.7=11...(5) HB2 HIS 6 - H HIS 8 lone 4 100 25 15 4.0-7.7 116/4.7=7, 1.8/80=4...(4) HB3 CYS 45 - H HIS 67 far 0 52 0 - 6.7-9.7 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 - 6.9-9.2 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 2.1-4.4 4.6=100 HB2 HIS 7 + H HIS 8 OK 78 78 100 100 2.0-4.5 4.6=100 HB3 CYS 45 - H HIS 67 poor 8 75 35 30 6.7-9.7 10891/11030=26, 10888/1587=4 HB2 HIS 6 - H HIS 8 lone 8 81 65 15 4.0-7.7 1.8/80=7, 87/2.9=3, 80=3 HB2 HIS 4 - H HIS 8 far 0 63 0 - 8.1-14.7 Violated in 0 structures by 0.00 A. Peak 6043 from nnoeabs.peaks (8.49, 8.49, 118.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + H SER 9 OK 100 100 - 100 H VAL 132 + H VAL 132 OK 60 60 - 100 Peak 6045 from nnoeabs.peaks (4.70, 8.49, 118.11 ppm; 2.76 A): 1 out of 2 assignments used, quality = 0.82: * HA HIS 8 + H SER 9 OK 82 100 100 82 2.3-2.9 85=66, 2.9/6047=26...(5) HA HIS 10 - H SER 9 far 0 99 0 - 4.5-5.6 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 5 assignments used, quality = 0.99: * HB2 HIS 8 + H SER 9 OK 99 100 100 99 1.9-4.3 2.9/6045=87, 1.8/6047=81...(4) HB3 HIS 7 - H SER 9 far 4 85 5 - 4.7-7.8 HB2 HIS 7 - H SER 9 far 0 78 0 - 5.5-8.1 HB2 HIS 6 - H SER 9 far 0 81 0 - 7.6-10.7 HB3 TYR 76 - H VAL 132 far 0 72 0 - 9.6-12.2 Violated in 1 structures by 0.01 A. Peak 6047 from nnoeabs.peaks (3.21, 8.49, 118.11 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.98: * HB3 HIS 8 + H SER 9 OK 98 100 100 98 2.0-4.2 2.9/6045=83, 1.8/6046=71, 4.6=66 HD3 ARG 135 - H VAL 132 poor 12 46 25 - 4.3-7.2 HB2 HIS 5 - H SER 9 far 0 78 0 - 7.3-14.7 HB3 CYS 125 - H VAL 132 far 0 72 0 - 9.5-11.4 HD2 ARG 84 - H VAL 132 far 0 65 0 - 9.6-14.0 Violated in 1 structures by 0.01 A. Peak 6048 from nnoeabs.peaks (4.39, 8.49, 118.11 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 9 + H SER 9 OK 100 100 100 100 2.8-2.9 3.0=100 HA HIS 5 - H SER 9 far 0 89 0 - 6.8-13.5 HA MET 11 - H SER 9 far 0 60 0 - 7.8-8.9 HA CYS 73 - H VAL 132 far 0 69 0 - 9.2-10.7 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 7 assignments used, quality = 0.96: HB3 SER 9 + H SER 9 OK 80 100 100 80 2.4-3.9 4.0=70, 4.5/6051=28 * HB2 SER 9 + H SER 9 OK 80 100 100 80 2.3-4.1 4.0=70, 4.5/6051=28 HA SER 130 - H VAL 132 poor 15 50 30 - 4.0-4.9 HB3 SER 130 - H VAL 132 far 0 35 0 - 5.0-6.2 HB2 SER 130 - H VAL 132 far 0 57 0 - 5.7-6.5 HA LEU 43 - H VAL 132 far 0 48 0 - 7.6-8.5 HA ARG 90 - H VAL 132 far 0 68 0 - 9.2-10.3 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 6 assignments used, quality = 0.96: * HB3 SER 9 + H SER 9 OK 80 100 100 80 2.4-3.9 4.0=70, 4.5/6051=28 HB2 SER 9 + H SER 9 OK 80 100 100 80 2.3-4.1 4.0=70, 4.5/6051=28 HA SER 130 - H VAL 132 poor 14 48 30 - 4.0-4.9 HB2 SER 130 - H VAL 132 far 0 59 0 - 5.7-6.5 HA LEU 43 - H VAL 132 far 0 46 0 - 7.6-8.5 HA ARG 90 - H VAL 132 far 0 67 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 6051 from nnoeabs.peaks (8.71, 8.49, 118.11 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 10 + H SER 9 OK 100 100 100 100 3.8-4.6 4.7=93, 6054/3.0=92...(5) H HIS 7 - H SER 9 far 4 89 5 - 4.6-8.1 H PHE 89 - H VAL 132 far 0 44 0 - 6.5-7.3 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 1 assignment used, quality = 1.00: * H SER 9 + H HIS 10 OK 100 100 100 100 3.8-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 6054 from nnoeabs.peaks (4.39, 8.71, 120.74 ppm; 2.80 A): 1 out of 3 assignments used, quality = 0.82: * HA SER 9 + H HIS 10 OK 82 100 100 82 2.1-2.7 100=68, 3.0/6051=22...(6) HA MET 11 - H HIS 10 far 0 60 0 - 4.5-4.7 HA HIS 5 - H HIS 10 far 0 89 0 - 9.1-16.8 Violated in 0 structures by 0.00 A. Peak 6055 from nnoeabs.peaks (3.80, 8.71, 120.74 ppm; 4.31 A): 2 out of 2 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 2.0-4.5 4.5=88, 3.0/6054=87...(7) 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 2 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 2.0-4.5 4.5=88, 3.0/6054=87...(7) Violated in 0 structures by 0.00 A. Peak 6057 from nnoeabs.peaks (4.69, 8.71, 120.74 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + H HIS 10 OK 100 100 100 100 2.8-2.9 3.0=100 HA HIS 8 - H HIS 10 far 0 99 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 6058 from nnoeabs.peaks (3.17, 8.71, 120.74 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.89: * HB2 HIS 10 + H HIS 10 OK 89 100 100 89 3.0-3.5 4.0=60, 1.8/6059=59 HB3 HIS 7 - H HIS 10 far 0 83 0 - 7.2-10.6 HB3 HIS 6 - H HIS 10 far 0 98 0 - 8.7-13.2 HB2 HIS 6 - H HIS 10 far 0 87 0 - 9.6-14.4 Violated in 13 structures by 0.05 A. Peak 6059 from nnoeabs.peaks (3.25, 8.71, 120.74 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.99: * HB3 HIS 10 + H HIS 10 OK 99 100 100 99 2.2-3.9 4.0=87, 1.8/6058=86 HB2 HIS 5 - H HIS 10 far 0 76 0 - 8.9-18.2 Violated in 10 structures by 0.04 A. Peak 6060 from nnoeabs.peaks (8.41, 8.71, 120.74 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H MET 11 + H HIS 10 OK 100 100 100 100 2.5-4.2 6062=91, 6063/3.0=84...(6) H ASN 13 - H HIS 10 far 0 73 0 - 7.1-10.4 Violated in 19 structures by 0.15 A. Peak 6061 from nnoeabs.peaks (8.41, 8.41, 122.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 Peak 6062 from nnoeabs.peaks (8.71, 8.41, 122.27 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 10 + H MET 11 OK 100 100 100 100 2.5-4.2 6060=100, 3.0/6063=87...(6) Violated in 13 structures by 0.03 A. Peak 6063 from nnoeabs.peaks (4.69, 8.41, 122.27 ppm; 2.63 A): 1 out of 2 assignments used, quality = 0.80: * HA HIS 10 + H MET 11 OK 80 100 100 80 2.1-3.1 115=51, 3.0/6065=26...(5) HA HIS 8 - H MET 11 far 0 99 0 - 7.4-9.7 Violated in 1 structures by 0.02 A. Peak 6064 from nnoeabs.peaks (3.17, 8.41, 122.27 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.99: * HB2 HIS 10 + H MET 11 OK 99 100 100 99 4.1-4.1 3.0/6063=82, 1.8/6065=80...(4) HB3 HIS 7 - H MET 11 far 0 83 0 - 8.7-14.1 Violated in 20 structures by 0.12 A. Peak 6065 from nnoeabs.peaks (3.25, 8.41, 122.27 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: * HB3 HIS 10 + H MET 11 OK 98 100 100 98 3.3-4.0 3.0/6063=77, 1.8/6064=69...(4) Violated in 6 structures by 0.02 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 3 60 5 - 3.3-6.6 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 1 assignment used, quality = 0.90: * HB2 MET 11 + H MET 11 OK 90 100 100 90 2.1-2.7 4.0=38, 1.8/6068=37...(8) Violated in 0 structures by 0.00 A. Peak 6068 from nnoeabs.peaks (2.02, 8.41, 122.27 ppm; 3.39 A): 2 out of 4 assignments used, quality = 0.99: * HB3 MET 11 + H MET 11 OK 99 100 100 99 3.3-3.6 1.8/6067=83, 4.0=59...(7) QE MET 11 + H MET 11 OK 47 87 60 91 2.4-5.7 3.3/6069=42, 4.2/6067=40...(8) HB VAL 20 - H MET 11 far 0 81 0 - 8.8-24.7 HB VAL 63 - H MET 11 far 0 100 0 - 9.9-49.3 Violated in 1 structures by 0.00 A. Peak 6069 from nnoeabs.peaks (2.47, 8.41, 122.27 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.99: * HG2 MET 11 + H MET 11 OK 99 100 100 99 1.9-3.9 2.9/6067=74, 1.8/6070=65...(8) HG3 GLN 104 - H MET 11 far 0 99 0 - 6.6-50.9 Violated in 4 structures by 0.02 A. Peak 6070 from nnoeabs.peaks (2.52, 8.41, 122.27 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + H MET 11 OK 100 100 100 100 2.6-4.4 1.8/6069=85, 2.9/6067=83...(10) Violated in 1 structures by 0.01 A. Peak 6072 from nnoeabs.peaks (8.44, 8.44, 125.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 12 + H ALA 12 OK 100 100 - 100 H ALA 34 + H ALA 34 OK 74 74 - 100 Peak 6074 from nnoeabs.peaks (4.42, 8.44, 125.95 ppm; 2.50 A): 1 out of 5 assignments used, quality = 0.87: * HA MET 11 + H ALA 12 OK 87 100 100 87 2.2-2.6 132=72, 3.0/6076=22...(6) HA SER 33 - H ALA 34 poor 10 50 20 - 2.7-3.5 HA SER 9 - H ALA 12 far 0 60 0 - 7.8-9.8 HA ASP 71 - H ALA 34 far 0 81 0 - 8.8-13.6 HA ASP 71 - H ALA 12 far 0 99 0 - 8.9-43.5 Violated in 10 structures by 0.03 A. Peak 6075 from nnoeabs.peaks (1.92, 8.44, 125.95 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + H ALA 12 OK 100 100 100 100 3.5-4.2 3.0/6074=85, 139=80...(9) Violated in 1 structures by 0.01 A. Peak 6076 from nnoeabs.peaks (2.02, 8.44, 125.95 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.99: * HB3 MET 11 + H ALA 12 OK 99 100 100 99 2.1-3.6 3.0/6074=73, 1.8/6075=61...(9) QE MET 11 - H ALA 12 poor 18 87 25 83 3.0-5.9 4.2/6075=34, 5.1/6074=32...(7) HB VAL 20 - H ALA 12 far 0 81 0 - 7.7-21.3 HB VAL 20 - H ALA 34 far 0 60 0 - 8.1-27.2 QE MET 11 - H ALA 34 far 0 66 0 - 9.1-35.5 Violated in 1 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 2.2-4.3 4.0/6074=100...(7) HB2 ASP 78 - H ALA 34 far 0 77 0 - 8.2-14.9 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 18 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 19 - H ALA 34 far 0 66 0 - 4.4-22.3 HA ALA 15 - H ALA 12 far 0 100 0 - 6.2-11.2 HA LYS 36 - H ALA 34 far 0 78 0 - 6.7-7.1 HA THR 25 - H ALA 34 far 0 81 0 - 6.8-23.0 HA LYS 26 - H ALA 34 far 0 70 0 - 6.9-20.1 HA LYS 19 - H ALA 12 far 0 87 0 - 7.1-21.3 HA ARG 23 - H ALA 34 far 0 83 0 - 7.6-25.0 HA ALA 16 - H ALA 34 far 0 79 0 - 7.7-30.2 HA LYS 31 - H ALA 34 far 0 80 0 - 7.9-9.1 HA TYR 76 - H ALA 34 far 0 48 0 - 8.0-11.8 HA THR 18 - H ALA 12 far 0 99 0 - 8.2-18.3 HA ALA 15 - H ALA 34 far 0 83 0 - 8.7-30.6 HA THR 18 - H ALA 34 far 0 81 0 - 9.1-26.3 HA ALA 16 - H ALA 12 far 0 98 0 - 9.1-13.9 HA LEU 22 - H ALA 34 far 0 68 0 - 9.5-28.6 HA LYS 26 - H ALA 12 far 0 90 0 - 9.9-32.0 HA ARG 23 - H ALA 12 far 0 100 0 - 10.0-26.9 Violated in 0 structures by 0.00 A. Peak 6080 from nnoeabs.peaks (1.36, 8.44, 125.95 ppm; 2.84 A): 1 out of 15 assignments used, quality = 0.96: * QB ALA 12 + H ALA 12 OK 96 100 100 96 2.0-2.9 2.9=91, 6085/4.3=23...(5) QB ALA 15 - H ALA 12 far 8 76 10 - 3.6-10.1 HG3 LYS 26 - H ALA 34 far 0 58 0 - 4.3-19.3 HG2 LYS 36 - H ALA 34 far 0 60 0 - 5.0-7.9 QB ALA 29 - H ALA 34 far 0 60 0 - 5.7-10.5 HG2 LYS 19 - H ALA 12 far 0 100 0 - 5.9-19.5 HG2 LYS 19 - H ALA 34 far 0 82 0 - 6.9-24.7 HG2 LYS 24 - H ALA 34 far 0 62 0 - 8.0-28.0 QB ALA 21 - H ALA 34 far 0 66 0 - 8.2-23.7 QB ALA 15 - H ALA 34 far 0 56 0 - 8.5-27.4 QB ALA 28 - H ALA 34 far 0 54 0 - 8.9-13.5 QB ALA 21 - H ALA 12 far 0 87 0 - 9.3-17.4 QB ALA 12 - H ALA 34 far 0 83 0 - 9.4-33.6 QB ALA 108 - H ALA 12 far 0 71 0 - 9.6-45.7 HG3 LYS 26 - H ALA 12 far 0 78 0 - 9.7-34.5 Violated in 1 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 2.5-3.1 2.1/6085=42, 3.6=41 HA THR 18 - H ASN 13 far 0 99 0 - 5.2-17.4 HA ALA 15 - H ASN 13 far 0 100 0 - 6.1-9.1 HA ALA 16 - H ASN 13 far 0 98 0 - 7.9-12.4 HA LYS 19 - H ASN 13 far 0 87 0 - 10.0-19.4 Violated in 8 structures by 0.03 A. Peak 6085 from nnoeabs.peaks (1.36, 8.44, 118.33 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.98: * QB ALA 12 + H ASN 13 OK 98 100 100 98 1.9-3.5 2.1/6084=79, 3.7=70...(8) QB ALA 15 - H ASN 13 far 0 76 0 - 4.4-8.5 HG2 LYS 19 - H ASN 13 far 0 100 0 - 7.1-17.7 QB ALA 21 - H ASN 13 far 0 87 0 - 7.7-16.7 Violated in 1 structures by 0.01 A. Peak 6086 from nnoeabs.peaks (4.66, 8.44, 118.33 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + H ASN 13 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6087 from nnoeabs.peaks (2.81, 8.44, 118.33 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASN 13 + H ASN 13 OK 99 100 100 99 3.6-3.9 176=89, 1.8/6088=79...(4) Violated in 17 structures by 0.04 A. Peak 6088 from nnoeabs.peaks (2.77, 8.44, 118.33 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.91: * HB3 ASN 13 + H ASN 13 OK 91 100 100 91 2.3-3.1 1.8/6087=64, 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 2.9-4.3 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 - 8.3-17.0 Violated in 0 structures by 0.00 A. Peak 6092 from nnoeabs.peaks (7.60, 7.60, 112.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD21 ASN 13 OK 100 100 - 100 Peak 6095 from nnoeabs.peaks (2.81, 7.60, 112.82 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HD21 ASN 13 OK 100 100 100 100 2.1-3.5 3.5=100 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 1 assignment used, quality = 1.00: * HB3 ASN 13 + HD21 ASN 13 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 6097 from nnoeabs.peaks (6.90, 7.60, 112.82 ppm; 2.50 A): 1 out of 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 2 assignments used, quality = 1.00: * HB2 ASN 13 + HD22 ASN 13 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASP 47 - HE21 GLN 134 far 0 38 0 - 7.9-13.6 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 3.4-4.1 3.5=100 HB2 ASP 131 - HE21 GLN 134 far 3 69 5 - 4.9-7.8 Violated in 0 structures by 0.00 A. Peak 6103 from nnoeabs.peaks (7.60, 6.90, 112.82 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD22 ASN 13 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6104 from nnoeabs.peaks (8.37, 8.37, 109.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 14 + H GLY 14 OK 100 100 - 100 Peak 6106 from nnoeabs.peaks (4.66, 8.37, 109.62 ppm; 2.91 A): 1 out of 1 assignment used, quality = 0.79: * HA ASN 13 + H GLY 14 OK 79 100 100 79 2.2-3.0 175=63, 3.0/6107=25, 3.0/6108=25 Violated in 4 structures by 0.01 A. Peak 6107 from nnoeabs.peaks (2.81, 8.37, 109.62 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + H GLY 14 OK 100 100 100 100 1.9-4.5 4.5=95, 3.0/6106=87...(6) Violated in 4 structures by 0.01 A. Peak 6108 from nnoeabs.peaks (2.77, 8.37, 109.62 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + H GLY 14 OK 100 100 100 100 2.7-4.6 4.5=96, 3.0/6106=88...(6) Violated in 3 structures by 0.02 A. Peak 6111 from nnoeabs.peaks (3.92, 8.37, 109.62 ppm; 3.04 A): 2 out of 3 assignments used, quality = 1.00: * HA2 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 75 - H GLY 14 far 0 92 0 - 9.6-40.0 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 3 assignments used, quality = 1.00: * HA3 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 75 - H GLY 14 far 0 90 0 - 9.6-40.0 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 1 assignment used, quality = 1.00: * H ALA 15 + H GLY 14 OK 100 100 100 100 1.9-4.2 6115=96, 3.0/11760=42...(9) Violated in 2 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 1.9-4.2 6113=100, 11760/3.0=43...(9) H LYS 19 - H ALA 15 far 0 89 0 - 6.6-11.5 H ASP 35 - H ALA 15 far 0 83 0 - 9.6-34.0 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 3 assignments used, quality = 0.99: HA3 GLY 14 + H ALA 15 OK 92 100 100 92 2.4-3.6 3.6=74, 3.0/6113=36...(10) * HA2 GLY 14 + H ALA 15 OK 92 100 100 92 2.1-3.6 3.6=74, 3.0/6113=36...(9) HB2 SER 60 - H ALA 15 far 0 97 0 - 9.8-45.6 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 3 assignments used, quality = 0.99: * HA3 GLY 14 + H ALA 15 OK 92 100 100 92 2.4-3.6 3.6=74, 3.0/6113=36...(10) HA2 GLY 14 + H ALA 15 OK 92 100 100 92 2.1-3.6 3.6=74, 3.0/6113=36...(9) HB2 SER 60 - H ALA 15 far 0 97 0 - 9.8-45.6 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 2.3-2.9 3.0=100 HA ALA 16 - H ALA 15 far 5 98 5 - 4.2-5.9 HA ALA 12 - H ALA 15 far 0 100 0 - 5.5-9.8 HA THR 18 - H ALA 15 far 0 99 0 - 6.2-11.8 HA LYS 19 - H ALA 15 far 0 87 0 - 8.1-14.1 HA ALA 21 - H ALA 15 far 0 100 0 - 8.7-15.1 HA SER 74 - H ALA 15 far 0 99 0 - 9.8-42.7 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 6 assignments used, quality = 1.00: * QB ALA 15 + H ALA 15 OK 100 100 100 100 2.0-2.8 2.9=100 QB ALA 16 - H ALA 15 far 4 78 5 - 3.8-5.6 QB ALA 12 - H ALA 15 far 4 76 5 - 3.6-8.9 HG2 LYS 19 - H ALA 15 far 0 87 0 - 6.5-11.6 HG3 LYS 31 - H ALA 15 far 0 99 0 - 9.5-26.8 QB ALA 28 - H ALA 15 far 0 100 0 - 9.9-23.5 Violated in 0 structures by 0.00 A. Peak 6121 from nnoeabs.peaks (8.03, 8.03, 122.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 16 + H ALA 16 OK 100 100 - 100 H TYR 76 + H TYR 76 OK 41 41 - 100 Peak 6122 from nnoeabs.peaks (8.14, 8.03, 122.31 ppm; 4.47 A): 1 out of 4 assignments used, quality = 0.98: * H ALA 15 + H ALA 16 OK 98 100 100 98 2.3-4.6 4.6=93, 2.9/6124=43, 363/3.6=41 H ASP 71 - H TYR 76 far 0 47 0 - 7.5-8.1 H LEU 22 - H ALA 16 far 0 99 0 - 8.5-12.7 H VAL 133 - H TYR 76 far 0 47 0 - 9.5-11.7 Violated in 7 structures by 0.01 A. Peak 6123 from nnoeabs.peaks (4.28, 8.03, 122.31 ppm; 2.92 A): 3 out of 14 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=31...(4) * HA ALA 15 + H ALA 16 OK 76 100 100 76 2.1-3.5 3.6=55, 2.1/6124=29, 3.0/6122=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 - 4.2-4.7 HA THR 18 - H ALA 16 far 0 99 0 - 4.8-8.5 HA LYS 19 - H ALA 16 far 0 87 0 - 6.6-11.2 HA ALA 21 - H ALA 16 far 0 100 0 - 7.7-11.2 HA ARG 23 - H ALA 16 far 0 100 0 - 7.9-16.3 HA ALA 12 - H ALA 16 far 0 100 0 - 8.1-12.4 HA ALA 16 - H TYR 76 far 0 45 0 - 9.1-36.0 HA SER 74 - H ALA 16 far 0 99 0 - 9.2-39.2 HA LYS 19 - H TYR 76 far 0 36 0 - 9.6-30.3 HA LYS 26 - H ALA 16 far 0 90 0 - 9.6-22.4 HA LYS 31 - H ALA 16 far 0 99 0 - 9.8-22.9 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 = 0.94: QB ALA 16 + H ALA 16 OK 78 78 100 99 2.3-2.9 2.9=99 * QB ALA 15 + H ALA 16 OK 72 100 100 72 1.9-3.7 3.7=49, 2.1/6125=26...(4) HG2 LYS 19 - H ALA 16 far 0 87 0 - 4.7-9.2 QB ALA 12 - H ALA 16 far 0 76 0 - 5.9-10.5 HB2 LEU 42 - H TYR 76 far 0 47 0 - 6.8-8.7 HG3 LYS 31 - H ALA 16 far 0 99 0 - 7.8-22.5 HG2 LYS 19 - H TYR 76 far 0 36 0 - 8.1-30.4 QB ALA 28 - H ALA 16 far 0 100 0 - 8.3-21.2 QB ALA 16 - H TYR 76 far 0 31 0 - 8.7-30.8 HG2 LYS 36 - H TYR 76 far 0 48 0 - 9.3-11.1 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=31...(4) HA ALA 15 + H ALA 16 OK 75 98 100 76 2.1-3.5 3.6=55, 2.1/6124=29, 3.0/6122=25 HA SER 74 - H TYR 76 far 0 39 0 - 4.2-4.7 HA THR 18 - H ALA 16 far 0 90 0 - 4.8-8.5 HA LYS 19 - H ALA 16 far 0 98 0 - 6.6-11.2 HA ALA 21 - H ALA 16 far 0 93 0 - 7.7-11.2 HA ARG 23 - H ALA 16 far 0 97 0 - 7.9-16.3 HA ALA 12 - H ALA 16 far 0 98 0 - 8.1-12.4 HA ALA 16 - H TYR 76 far 0 48 0 - 9.1-36.0 HA SER 74 - H ALA 16 far 0 92 0 - 9.2-39.2 HA LYS 19 - H TYR 76 far 0 45 0 - 9.6-30.3 HA LYS 26 - H ALA 16 far 0 99 0 - 9.6-22.4 HA LYS 31 - H ALA 16 far 0 100 0 - 9.8-22.9 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 12 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 100 100 2.3-2.9 2.9=100 QB ALA 15 + H ALA 16 OK 60 78 100 76 1.9-3.7 3.7=53, 2.1/6125=27...(4) QB ALA 34 - H TYR 76 far 0 40 0 - 5.3-9.5 QB ALA 34 - H ALA 16 far 0 93 0 - 6.0-26.2 HB2 LEU 42 - H TYR 76 far 0 26 0 - 6.8-8.7 HG2 LYS 86 - H TYR 76 far 0 38 0 - 7.8-8.2 HG3 LYS 31 - H ALA 16 far 0 93 0 - 7.8-22.5 QB ALA 28 - H ALA 16 far 0 81 0 - 8.3-21.2 QB ALA 16 - H TYR 76 far 0 48 0 - 8.7-30.8 HG2 LYS 36 - H TYR 76 far 0 29 0 - 9.3-11.1 QB ALA 92 - H TYR 76 far 0 28 0 - 9.7-10.9 HG2 LYS 26 - H ALA 16 far 0 63 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 6127 from nnoeabs.peaks (8.32, 8.03, 122.31 ppm; 3.68 A): 1 out of 6 assignments used, quality = 0.81: * H GLY 17 + H ALA 16 OK 81 100 100 81 2.2-3.7 4.6=50, 6130/3.0=41...(5) H LYS 19 - H ALA 16 far 6 60 10 - 4.1-8.5 H TYR 72 - H TYR 76 far 0 48 0 - 5.6-6.0 H ALA 21 - H ALA 16 far 0 96 0 - 7.3-10.3 H LYS 19 - H TYR 76 far 0 23 0 - 9.6-30.3 H LEU 69 - H TYR 76 far 0 33 0 - 9.6-10.7 Violated in 10 structures by 0.02 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 14 assignments used, quality = 0.81: * HA ALA 16 + H GLY 17 OK 68 100 100 68 2.1-3.6 3.6=50, 3.0/6127=33...(4) HA ALA 110 + H GLY 111 OK 40 54 100 75 2.2-3.6 3.6=50, 7570/4.5=13...(11) HA ALA 109 - H GLY 111 poor 11 57 55 34 3.2-5.1 7570/4.5=10, 3.0/7567=7...(8) HA ALA 108 - H GLY 111 far 3 57 5 - 3.6-7.8 HA ALA 15 - H GLY 17 far 0 98 0 - 4.1-6.3 HA THR 18 - H GLY 17 far 0 90 0 - 4.2-5.4 HA LYS 19 - H GLY 17 far 0 98 0 - 5.3-8.5 HA ALA 21 - H GLY 17 far 0 93 0 - 5.8-9.5 HA ALA 12 - H GLY 17 far 0 98 0 - 6.5-15.7 HB THR 115 - H GLY 111 far 0 57 0 - 7.3-10.5 HA ARG 23 - H GLY 17 far 0 97 0 - 7.7-14.1 HA GLN 61 - H GLY 111 far 0 56 0 - 9.2-15.1 HA LEU 22 - H GLY 17 far 0 99 0 - 9.3-12.7 HA SER 74 - H GLY 17 far 0 92 0 - 9.7-38.2 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 11 assignments used, quality = 1.00: * QB ALA 16 + H GLY 17 OK 100 100 100 100 2.4-3.7 3.7=100 QB ALA 110 + H GLY 111 OK 38 38 100 100 2.6-3.7 3.7=100 QB ALA 109 + H GLY 111 OK 33 46 100 72 2.4-4.6 10677/3.0=23...(10) QB ALA 15 + H GLY 17 OK 28 78 65 55 3.4-5.8 3.7/6127=54, 3534=1 QB ALA 108 - H GLY 111 far 2 41 5 - 3.4-7.6 QB ALA 34 - H GLY 17 far 0 93 0 - 6.9-26.4 QB ALA 29 - H GLY 17 far 0 73 0 - 8.3-21.8 HG3 LYS 31 - H GLY 17 far 0 93 0 - 8.7-22.2 QB ALA 28 - H GLY 17 far 0 81 0 - 9.0-20.1 HG2 LYS 26 - H GLY 17 far 0 63 0 - 9.7-23.3 HG2 LYS 24 - H GLY 17 far 0 71 0 - 9.7-16.1 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 10 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 2.3-2.9 3.0=100 HA2 GLY 111 + H GLY 111 OK 26 26 100 100 2.3-2.9 3.0=100 HB3 SER 107 - H GLY 111 far 0 57 0 - 4.6-10.6 HB2 SER 106 - H GLY 111 far 0 56 0 - 5.3-12.1 HB3 SER 106 - H GLY 111 far 0 45 0 - 5.7-13.3 HD3 PRO 113 - H GLY 111 far 0 35 0 - 5.8-7.5 HD3 PRO 117 - H GLY 111 far 0 53 0 - 6.1-13.5 HA VAL 20 - H GLY 17 far 0 60 0 - 6.2-10.0 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 10 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 2.3-2.9 3.0=100 HA2 GLY 111 + H GLY 111 OK 26 26 100 100 2.3-2.9 3.0=100 HB3 SER 107 - H GLY 111 far 0 57 0 - 4.6-10.6 HB2 SER 106 - H GLY 111 far 0 56 0 - 5.3-12.1 HB3 SER 106 - H GLY 111 far 0 45 0 - 5.7-13.3 HD3 PRO 113 - H GLY 111 far 0 35 0 - 5.8-7.5 HD3 PRO 117 - H GLY 111 far 0 53 0 - 6.1-13.5 HA VAL 20 - H GLY 17 far 0 60 0 - 6.2-10.0 Violated in 0 structures by 0.00 A. Peak 6134 from nnoeabs.peaks (7.97, 8.32, 107.83 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.84: * H THR 18 + H GLY 17 OK 84 100 100 84 2.4-3.6 6136=61, 6138/3.0=33...(4) Violated in 10 structures by 0.02 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 = 0.93: * H GLY 17 + H THR 18 OK 85 100 100 85 2.4-3.6 6134=71, 3.0/6138=27...(4) H LYS 19 + H THR 18 OK 53 60 100 89 1.9-2.8 6144=46, 3.6/6139=43...(8) H ALA 21 - H THR 18 far 5 96 5 - 3.9-6.7 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 = 0.97: * HA2 GLY 17 + H THR 18 OK 84 100 100 84 2.1-3.6 3.6=55, 3.0/6134=37...(6) HA3 GLY 17 + H THR 18 OK 83 100 100 83 2.1-3.6 3.6=55, 3.0/6134=37...(6) HA VAL 20 - H THR 18 far 0 60 0 - 6.2-7.5 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 = 0.97: HA2 GLY 17 + H THR 18 OK 84 100 100 84 2.1-3.6 3.6=55, 3.0/6134=37...(6) * HA3 GLY 17 + H THR 18 OK 83 100 100 83 2.1-3.6 3.6=55, 3.0/6134=37...(6) HA VAL 20 - H THR 18 far 0 60 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 6139 from nnoeabs.peaks (4.29, 7.97, 113.82 ppm; 2.92 A): 1 out of 11 assignments used, quality = 1.00: * HA THR 18 + H THR 18 OK 100 100 100 100 2.8-2.9 3.0=97, 226/6144=44...(10) HA ALA 16 - H THR 18 far 9 90 10 - 3.6-5.7 HA ALA 15 - H THR 18 far 5 99 5 - 3.8-9.7 HA LYS 19 - H THR 18 far 0 71 0 - 4.1-5.3 HA ALA 21 - H THR 18 far 0 100 0 - 5.7-7.6 HA ALA 12 - H THR 18 far 0 99 0 - 7.4-17.2 HA LEU 22 - H THR 18 far 0 73 0 - 7.8-10.9 HA ARG 23 - H THR 18 far 0 99 0 - 8.2-12.5 HA2 GLY 75 - H THR 18 far 0 68 0 - 8.3-33.5 HA LYS 31 - H THR 18 far 0 92 0 - 9.1-23.9 HA SER 74 - H THR 18 far 0 100 0 - 9.9-35.3 Violated in 7 structures by 0.01 A. Peak 6140 from nnoeabs.peaks (4.19, 7.97, 113.82 ppm; 3.05 A): 1 out of 1 assignment used, quality = 0.97: * HB THR 18 + H THR 18 OK 97 100 100 97 2.1-3.4 227=73, 2.1/6141=60...(8) Violated in 2 structures by 0.03 A. Peak 6141 from nnoeabs.peaks (1.17, 7.97, 113.82 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.96: * QG2 THR 18 + H THR 18 OK 96 100 100 96 2.8-3.8 2.1/6140=65, 232=57...(6) HG12 ILE 32 - H THR 18 far 0 98 0 - 10.0-23.1 Violated in 9 structures by 0.11 A. Peak 6142 from nnoeabs.peaks (8.35, 7.97, 113.82 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 19 + H THR 18 OK 100 100 100 100 1.9-2.8 6144=100, 226/6139=56...(8) H GLY 17 + H THR 18 OK 41 60 100 69 2.4-3.6 4.4=37, 3.0/6138=27...(5) H GLY 14 - H THR 18 far 0 89 0 - 5.9-12.5 H LYS 24 - H THR 18 far 0 83 0 - 8.3-13.4 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 = 0.96: * H THR 18 + H LYS 19 OK 96 100 100 96 1.9-2.8 6142=67, 6139/226=54...(8) Violated in 0 structures by 0.00 A. Peak 6145 from nnoeabs.peaks (4.29, 8.35, 123.97 ppm; 2.73 A): 2 out of 13 assignments used, quality = 0.99: * HA THR 18 + H LYS 19 OK 97 100 100 97 3.4-3.6 226=84, 6139/6144=38...(12) HA LYS 19 + H LYS 19 OK 68 71 100 96 2.3-2.8 3.0=79, 3.0/6149=41...(13) HA ALA 16 - H LYS 19 far 0 90 0 - 4.3-7.1 HA ALA 15 - H LYS 19 far 0 99 0 - 4.7-10.4 HA PHE 87 - H LYS 86 far 0 40 0 - 5.3-5.5 HA ALA 21 - H LYS 19 far 0 100 0 - 5.5-7.3 HA2 GLY 75 - H LYS 19 far 0 68 0 - 6.6-31.3 HA ARG 23 - H LYS 19 far 0 99 0 - 7.3-11.2 HA LEU 22 - H LYS 19 far 0 73 0 - 7.7-10.1 HA LYS 31 - H LYS 19 far 0 92 0 - 8.1-21.5 HA ALA 12 - H LYS 19 far 0 99 0 - 8.3-19.0 HA LYS 26 - H LYS 19 far 0 76 0 - 8.7-17.0 HA SER 74 - H LYS 19 far 0 100 0 - 9.0-33.2 Violated in 0 structures by 0.00 A. Peak 6146 from nnoeabs.peaks (4.19, 8.35, 123.97 ppm; 3.39 A): 1 out of 3 assignments used, quality = 0.99: * HB THR 18 + H LYS 19 OK 99 100 100 99 2.6-3.7 231=61, 3.0/226=61...(16) HB THR 83 - H LYS 86 far 0 44 0 - 5.0-5.3 HA ALA 88 - H LYS 86 far 0 68 0 - 7.0-7.4 Violated in 14 structures by 0.12 A. Peak 6147 from nnoeabs.peaks (1.17, 8.35, 123.97 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * QG2 THR 18 + H LYS 19 OK 100 100 100 100 2.2-4.4 2.1/6146=76, 3.2/226=67...(11) QG2 VAL 77 + H LYS 86 OK 34 68 50 99 4.2-5.1 11193/2.9=58...(17) HG12 ILE 32 - H LYS 19 far 0 98 0 - 8.3-21.2 QG2 THR 25 - H LYS 19 far 0 90 0 - 8.6-14.7 Violated in 2 structures by 0.02 A. Peak 6148 from nnoeabs.peaks (4.27, 8.35, 123.97 ppm; 2.74 A): 2 out of 15 assignments used, quality = 0.99: * HA LYS 19 + H LYS 19 OK 97 100 100 97 2.3-2.8 3.0=80, 3.0/6149=41...(13) HA THR 18 + H LYS 19 OK 62 71 100 88 3.4-3.6 226=50, 3.0/6144=38...(13) HA ARG 84 - H LYS 86 far 0 55 0 - 4.1-4.5 HA ALA 16 - H LYS 19 far 0 98 0 - 4.3-7.1 HA ALA 15 - H LYS 19 far 0 87 0 - 4.7-10.4 HA PHE 87 - H LYS 86 far 0 73 0 - 5.3-5.5 HA ALA 21 - H LYS 19 far 0 76 0 - 5.5-7.3 HA ARG 23 - H LYS 19 far 0 85 0 - 7.3-11.2 HA LEU 22 - H LYS 19 far 0 100 0 - 7.7-10.1 HA GLN 27 - H LYS 19 far 0 76 0 - 7.9-17.9 HA LYS 31 - H LYS 19 far 0 97 0 - 8.1-21.5 HA ALA 12 - H LYS 19 far 0 87 0 - 8.3-19.0 HA ALA 28 - H LYS 19 far 0 60 0 - 8.3-18.8 HA LYS 26 - H LYS 19 far 0 100 0 - 8.7-17.0 HA SER 74 - H LYS 19 far 0 73 0 - 9.0-33.2 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 7 assignments used, quality = 0.96: * HB2 LYS 19 + H LYS 19 OK 96 100 100 96 2.7-3.1 3.9=40, 1.8/6150=34...(35) HB ILE 80 - H LYS 86 far 0 64 0 - 4.1-4.7 HB2 ARG 23 - H LYS 19 far 0 100 0 - 6.5-10.2 HG3 ARG 90 - H LYS 86 far 0 57 0 - 6.6-8.7 HB2 LYS 31 - H LYS 19 far 0 99 0 - 7.8-18.7 HB2 LYS 24 - H LYS 19 far 0 100 0 - 7.8-14.8 HG13 ILE 129 - H LYS 86 far 0 71 0 - 9.8-13.2 Violated in 1 structures by 0.01 A. Peak 6150 from nnoeabs.peaks (1.81, 8.35, 123.97 ppm; 3.39 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 19 + H LYS 19 OK 100 100 100 100 3.5-4.0 1.8/6149=84, 3.9=64...(35) HB2 LYS 86 + H LYS 86 OK 56 58 100 96 2.1-3.6 4.0=62, 1.8/7140=30...(15) HB2 ARG 84 - H LYS 86 far 0 72 0 - 4.8-5.9 HB3 LYS 31 - H LYS 19 far 0 100 0 - 7.6-19.8 HB3 ARG 135 - H LYS 86 far 0 71 0 - 7.6-9.6 HB3 ARG 23 - H LYS 19 far 0 97 0 - 7.9-11.9 HB3 LYS 24 - H LYS 19 far 0 100 0 - 8.1-15.8 HB ILE 32 - H LYS 19 far 0 99 0 - 9.1-22.7 HB2 CYS 79 - H LYS 86 far 0 40 0 - 9.9-10.5 HB VAL 93 - H LYS 86 far 0 60 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 6151 from nnoeabs.peaks (1.36, 8.35, 123.97 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-3.0 3.0/6149=71, 1.8/6152=54...(52) QB ALA 21 + H LYS 19 OK 37 76 80 61 4.0-5.3 10686/226=25...(5) QB ALA 15 - H LYS 19 far 9 87 10 - 3.4-9.7 QB ALA 28 - H LYS 19 far 0 85 0 - 5.4-15.9 HG3 LYS 31 - H LYS 19 far 0 68 0 - 5.5-20.8 HG2 LYS 24 - H LYS 19 far 0 92 0 - 6.3-13.6 QB ALA 12 - H LYS 19 far 0 100 0 - 7.2-15.6 QB ALA 29 - H LYS 19 far 0 90 0 - 8.2-18.9 Violated in 0 structures by 0.00 A. Peak 6152 from nnoeabs.peaks (1.44, 8.35, 123.97 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 19 + H LYS 19 OK 100 100 100 100 2.7-4.0 3.0/6149=67, 1.8/6151=50...(51) HG2 LYS 86 + H LYS 86 OK 44 48 100 91 3.3-4.2 4.5=51, 3.0/7140=26...(15) QB ALA 34 - H LYS 19 far 0 71 0 - 4.8-22.1 HG2 LYS 31 - H LYS 19 far 0 100 0 - 5.4-21.3 HG3 LYS 24 - H LYS 19 far 0 100 0 - 7.8-14.3 QB ALA 92 - H LYS 86 far 0 63 0 - 8.7-9.6 HG13 ILE 32 - H LYS 19 far 0 100 0 - 8.8-22.2 HG2 LYS 26 - H LYS 19 far 0 97 0 - 9.7-19.7 Violated in 0 structures by 0.00 A. Peak 6153 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 5.14 A): 6 out of 14 assignments used, quality = 1.00: * HD2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-4.9 3.9/6149=88...(73) HD3 LYS 19 + H LYS 19 OK 100 100 100 100 2.0-5.4 3.9/6149=88, 3.0/6151=66...(75) HD3 LYS 86 + H LYS 86 OK 68 68 100 100 4.2-5.8 5.6=76, ~2704=51...(24) HD2 LYS 86 + H LYS 86 OK 68 68 100 100 4.2-5.6 5.6=76, ~2704=51...(23) QB ALA 88 + H LYS 86 OK 65 65 100 100 4.9-5.7 2750/3.6=83, 3.0/7175=64...(12) HG3 ARG 84 + H LYS 86 OK 31 65 60 79 5.0-7.2 4.6/7098=48, 2595/3.6=15...(9) HG2 ARG 84 - H LYS 86 poor 18 65 35 77 4.4-6.8 4.6/7098=48, 2595/3.6=13...(10) HD3 LYS 31 - H LYS 19 far 5 97 5 - 4.6-21.9 HG3 ARG 23 - H LYS 19 far 0 76 0 - 6.2-12.6 HD2 LYS 31 - H LYS 19 far 0 96 0 - 6.2-22.2 HD2 LYS 24 - H LYS 19 far 0 96 0 - 7.7-16.5 HD2 LYS 26 - H LYS 19 far 0 97 0 - 8.0-21.5 HD3 LYS 26 - H LYS 19 far 0 98 0 - 8.2-21.4 HD3 LYS 24 - H LYS 19 far 0 97 0 - 8.6-16.1 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 5.14 A): 6 out of 14 assignments used, quality = 1.00: HD2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-4.9 3.9/6149=88...(73) * HD3 LYS 19 + H LYS 19 OK 100 100 100 100 2.0-5.4 3.9/6149=88, 3.0/6151=66...(75) HD3 LYS 86 + H LYS 86 OK 68 68 100 100 4.2-5.8 5.6=76, ~2704=51...(24) HD2 LYS 86 + H LYS 86 OK 68 68 100 100 4.2-5.6 5.6=76, ~2704=51...(23) QB ALA 88 + H LYS 86 OK 65 65 100 100 4.9-5.7 2750/3.6=83, 3.0/7175=64...(12) HG3 ARG 84 + H LYS 86 OK 31 65 60 79 5.0-7.2 4.6/7098=48, 2595/3.6=15...(9) HG2 ARG 84 - H LYS 86 poor 18 65 35 77 4.4-6.8 4.6/7098=48, 2595/3.6=13...(10) HD3 LYS 31 - H LYS 19 far 5 97 5 - 4.6-21.9 HG3 ARG 23 - H LYS 19 far 0 76 0 - 6.2-12.6 HD2 LYS 31 - H LYS 19 far 0 96 0 - 6.2-22.2 HD2 LYS 24 - H LYS 19 far 0 96 0 - 7.7-16.5 HD2 LYS 26 - H LYS 19 far 0 97 0 - 8.0-21.5 HD3 LYS 26 - H LYS 19 far 0 98 0 - 8.2-21.4 HD3 LYS 24 - H LYS 19 far 0 97 0 - 8.6-16.1 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 = 1.00: * H VAL 20 + H LYS 19 OK 100 100 100 100 2.5-3.2 6159=100, 6160/3.0=59...(13) HD22 ASN 85 - H LYS 86 far 0 55 0 - 4.5-6.3 H CYS 79 - H LYS 86 far 0 53 0 - 8.1-8.4 H TYR 76 - H LYS 19 far 0 83 0 - 9.6-30.3 Violated in 0 structures by 0.00 A. Peak 6158 from nnoeabs.peaks (8.06, 8.06, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 20 + H VAL 20 OK 100 100 - 100 Peak 6159 from nnoeabs.peaks (8.35, 8.06, 121.67 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 19 + H VAL 20 OK 100 100 100 100 2.5-3.2 6157=94, 3.0/6160=56...(12) H GLY 17 - H VAL 20 far 9 60 15 - 3.5-7.1 H LYS 24 - H VAL 20 far 0 83 0 - 6.3-9.6 H GLY 14 - H VAL 20 far 0 89 0 - 8.5-15.9 H ALA 28 - H VAL 20 far 0 78 0 - 8.5-17.6 H LYS 26 - H VAL 20 far 0 81 0 - 8.6-15.3 Violated in 0 structures by 0.00 A. Peak 6160 from nnoeabs.peaks (4.27, 8.06, 121.67 ppm; 3.06 A): 1 out of 13 assignments used, quality = 0.97: * HA LYS 19 + H VAL 20 OK 97 100 100 97 3.0-3.6 3.6=63, 3.0/6159=45...(15) HA THR 18 - H VAL 20 far 11 71 15 - 3.8-5.0 HA ALA 16 - H VAL 20 far 0 98 0 - 4.0-8.5 HA ALA 21 - H VAL 20 far 0 76 0 - 4.3-5.2 HA ARG 23 - H VAL 20 far 0 85 0 - 5.6-8.2 HA ALA 28 - H VAL 20 far 0 60 0 - 6.6-18.0 HA LEU 22 - H VAL 20 far 0 100 0 - 6.7-7.8 HA LYS 31 - H VAL 20 far 0 97 0 - 7.3-20.2 HA ALA 15 - H VAL 20 far 0 87 0 - 7.5-11.9 HA LYS 26 - H VAL 20 far 0 100 0 - 8.7-15.1 HA ALA 12 - H VAL 20 far 0 87 0 - 8.9-19.6 HA GLN 27 - H VAL 20 far 0 76 0 - 9.2-17.3 HA SER 74 - H VAL 20 far 0 73 0 - 9.6-34.0 Violated in 19 structures by 0.45 A. Peak 6161 from nnoeabs.peaks (1.75, 8.06, 121.67 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 19 + H VAL 20 OK 100 100 100 100 3.7-4.6 1.8/6162=76, 3.0/6160=70...(17) HB2 ARG 23 - H VAL 20 far 10 100 10 - 4.5-7.9 HB2 LYS 26 - H VAL 20 far 0 100 0 - 7.6-16.4 HB2 LYS 31 - H VAL 20 far 0 99 0 - 7.7-17.4 HB2 LYS 24 - H VAL 20 far 0 100 0 - 7.9-12.1 Violated in 19 structures by 0.27 A. Peak 6162 from nnoeabs.peaks (1.81, 8.06, 121.67 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 19 + H VAL 20 OK 100 100 100 100 2.6-4.4 1.8/6161=72, 3.0/6160=68...(17) HB3 ARG 23 - H VAL 20 far 0 97 0 - 6.2-9.1 HB3 LYS 31 - H VAL 20 far 0 100 0 - 6.7-18.4 HB ILE 32 - H VAL 20 far 0 99 0 - 7.0-21.9 HB3 LYS 24 - H VAL 20 far 0 100 0 - 7.2-13.1 HB3 LYS 26 - H VAL 20 far 0 99 0 - 8.3-16.4 Violated in 4 structures by 0.04 A. Peak 6163 from nnoeabs.peaks (1.36, 8.06, 121.67 ppm; 4.84 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 19 + H VAL 20 OK 100 100 100 100 1.9-4.2 10714/348=87...(16) QB ALA 21 + H VAL 20 OK 76 76 100 100 3.4-4.7 2.9/6173=93, ~6176=51...(8) QB ALA 15 - H VAL 20 far 4 87 5 - 5.6-10.3 QB ALA 29 - H VAL 20 far 0 90 0 - 5.9-17.5 QB ALA 28 - H VAL 20 far 0 85 0 - 5.9-15.4 HG2 LYS 24 - H VAL 20 far 0 92 0 - 6.5-11.3 HG3 LYS 31 - H VAL 20 far 0 68 0 - 6.5-19.8 QB ALA 12 - H VAL 20 far 0 100 0 - 7.0-16.4 HG3 LYS 26 - H VAL 20 far 0 89 0 - 7.8-16.3 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 6 assignments used, quality = 1.00: * HG3 LYS 19 + H VAL 20 OK 100 100 100 100 2.2-4.1 3.0/6162=84, 3.0/6161=83...(15) HG2 LYS 31 - H VAL 20 far 5 100 5 - 5.5-20.3 QB ALA 34 - H VAL 20 far 4 71 5 - 4.8-22.8 HG13 ILE 32 - H VAL 20 far 0 100 0 - 7.0-20.3 HG2 LYS 26 - H VAL 20 far 0 97 0 - 7.2-17.0 HG3 LYS 24 - H VAL 20 far 0 100 0 - 7.6-11.8 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 9 assignments used, quality = 1.00: HD3 LYS 19 + H VAL 20 OK 100 100 100 100 3.7-6.3 3.9/6162=99, 3.9/6161=98...(9) * HD2 LYS 19 + H VAL 20 OK 100 100 100 100 4.1-6.3 3.9/6162=99, 3.9/6161=98...(10) HG3 ARG 23 + H VAL 20 OK 45 76 60 99 4.5-10.2 ~11960=53, ~11943=53...(15) HD3 LYS 26 - H VAL 20 far 5 98 5 - 5.6-18.6 HD2 LYS 26 - H VAL 20 far 5 97 5 - 5.2-18.7 HD3 LYS 31 - H VAL 20 far 5 97 5 - 5.3-19.7 HD2 LYS 31 - H VAL 20 far 5 96 5 - 7.1-20.0 HD2 LYS 24 - H VAL 20 far 5 96 5 - 7.5-13.8 HD3 LYS 24 - H VAL 20 far 0 97 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 6166 from nnoeabs.peaks (1.65, 8.06, 121.67 ppm; 6.80 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 19 + H VAL 20 OK 100 100 100 100 3.7-6.3 3.9/6162=99, 3.9/6161=98...(9) HD2 LYS 19 + H VAL 20 OK 100 100 100 100 4.1-6.3 3.9/6162=99, 3.9/6161=98...(10) HG3 ARG 23 + H VAL 20 OK 45 76 60 99 4.5-10.2 ~11960=53, ~11943=53...(15) HD3 LYS 26 - H VAL 20 far 5 98 5 - 5.6-18.6 HD2 LYS 26 - H VAL 20 far 5 97 5 - 5.2-18.7 HD3 LYS 31 - H VAL 20 far 5 97 5 - 5.3-19.7 HD2 LYS 31 - H VAL 20 far 5 96 5 - 7.1-20.0 HD2 LYS 24 - H VAL 20 far 5 96 5 - 7.5-13.8 HD3 LYS 24 - H VAL 20 far 0 97 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 6169 from nnoeabs.peaks (3.99, 8.06, 121.67 ppm; 3.03 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 20 + H VAL 20 OK 100 100 100 100 2.8-2.9 3.0=100 HA2 GLY 17 - H VAL 20 poor 18 60 30 - 3.3-6.2 HA3 GLY 17 - H VAL 20 far 3 60 5 - 3.9-7.3 Violated in 0 structures by 0.00 A. Peak 6170 from nnoeabs.peaks (2.00, 8.06, 121.67 ppm; 2.78 A): 1 out of 3 assignments used, quality = 0.94: * HB VAL 20 + H VAL 20 OK 94 100 100 94 2.7-3.6 342=68, 2.1/348=47...(7) HB3 MET 11 - H VAL 20 far 0 81 0 - 6.4-19.5 HB3 GLU 30 - H VAL 20 far 0 87 0 - 8.4-19.6 Violated in 17 structures by 0.21 A. Peak 6171 from nnoeabs.peaks (0.91, 8.06, 121.67 ppm; 3.05 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 20 + H VAL 20 OK 100 100 100 100 1.8-2.9 348=83, 2.1/6170=68...(12) QG2 VAL 20 + H VAL 20 OK 83 90 95 96 1.9-4.0 2.1/6170=68, 2.1/348=57...(7) QD1 LEU 22 - H VAL 20 far 0 95 0 - 4.7-8.4 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 = 1.00: * QG2 VAL 20 + H VAL 20 OK 98 100 100 98 1.9-4.0 2.1/6170=75, 2.1/348=64...(9) QG1 VAL 20 + H VAL 20 OK 90 90 100 100 1.8-2.9 348=84, 2.1/6170=75...(12) QD1 LEU 22 - H VAL 20 far 0 100 0 - 4.7-8.4 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 3 assignments used, quality = 0.96: * H ALA 21 + H VAL 20 OK 96 100 100 96 1.9-3.1 6176/3.0=57, 6175=47...(10) H GLY 17 - H VAL 20 far 14 96 15 - 3.5-7.1 H ALA 28 - H VAL 20 far 0 85 0 - 8.5-17.6 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 1 assignment used, quality = 1.00: * H VAL 20 + H ALA 21 OK 100 100 100 100 1.9-3.1 6173=100, 3.0/6176=84...(10) 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 = 0.85: * HA VAL 20 + H ALA 21 OK 85 100 90 95 3.0-3.6 341=72, 3.0/6173=35...(10) HA2 GLY 17 - H ALA 21 far 0 60 0 - 4.5-7.2 HA3 GLY 17 - H ALA 21 far 0 60 0 - 4.7-8.5 Violated in 20 structures by 0.57 A. Peak 6177 from nnoeabs.peaks (2.00, 8.31, 127.69 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 20 + H ALA 21 OK 100 100 100 100 1.9-4.0 347=90, 3.0/6176=71...(10) HB3 MET 11 - H ALA 21 far 0 81 0 - 8.9-20.9 HB3 GLU 30 - H ALA 21 far 0 87 0 - 9.2-19.7 Violated in 17 structures by 0.23 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 1.7-4.2 353=100, 2.1/6177=80...(12) QG2 VAL 20 + H ALA 21 OK 90 90 100 100 2.0-4.4 2.1/6177=80, 3.2/6176=79...(12) QD1 LEU 22 - H ALA 21 far 14 95 15 - 2.6-6.7 Violated in 0 structures by 0.00 A. Peak 6179 from nnoeabs.peaks (0.89, 8.31, 127.69 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 20 + H ALA 21 OK 100 100 100 100 2.0-4.4 2.1/6177=77, 3.2/6176=77...(12) QG1 VAL 20 + H ALA 21 OK 90 90 100 100 1.7-4.2 353=85, 2.1/6177=77...(11) QD1 LEU 22 - H ALA 21 far 15 100 15 - 2.6-6.7 Violated in 0 structures by 0.00 A. Peak 6180 from nnoeabs.peaks (4.29, 8.31, 127.69 ppm; 3.12 A): 3 out of 11 assignments used, quality = 1.00: * HA ALA 21 + H ALA 21 OK 100 100 100 100 2.3-2.9 3.0=100 HA THR 18 + H ALA 21 OK 35 100 80 44 2.8-6.0 10685/353=22...(5) HA LYS 19 + H ALA 21 OK 24 76 60 52 3.6-6.4 3.6/6173=41...(3) HA LEU 22 - H ALA 21 far 0 78 0 - 4.7-5.4 HA ARG 23 - H ALA 21 far 0 100 0 - 5.1-6.5 HA ALA 16 - H ALA 21 far 0 93 0 - 6.2-9.9 HA LYS 31 - H ALA 21 far 0 95 0 - 7.5-21.3 HA ALA 15 - H ALA 21 far 0 100 0 - 8.0-12.6 HA2 GLY 75 - H ALA 21 far 0 63 0 - 8.7-33.4 HA LYS 26 - H ALA 21 far 0 81 0 - 8.8-13.5 HA THR 25 - H ALA 21 far 0 100 0 - 9.5-12.3 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 2.2-2.9 2.9=91, 6186/6184=36...(8) HG2 LYS 19 - H ALA 21 far 4 76 5 - 3.7-6.0 QB ALA 12 - H ALA 21 far 0 87 0 - 8.7-17.9 Violated in 3 structures by 0.01 A. Peak 6182 from nnoeabs.peaks (8.15, 8.31, 127.69 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 22 + H ALA 21 OK 100 100 100 100 2.0-2.9 6184=100, 6186/6181=80...(7) H ALA 15 - H ALA 21 far 0 99 0 - 9.5-14.5 H ILE 32 - H ALA 21 far 0 99 0 - 9.8-19.3 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 2.0-2.9 6181/6186=61, 6182=58...(7) H GLY 17 - H LEU 22 far 0 96 0 - 6.6-10.2 H ALA 28 - H LEU 22 far 0 85 0 - 7.7-15.7 Violated in 0 structures by 0.00 A. Peak 6185 from nnoeabs.peaks (4.29, 8.15, 121.80 ppm; 2.53 A): 2 out of 11 assignments used, quality = 0.92: * HA ALA 21 + H LEU 22 OK 74 100 100 74 2.9-3.4 2.1/6186=42, 3.6=35...(4) HA LEU 22 + H LEU 22 OK 70 78 100 89 2.8-2.9 2.9=63, 2.9/6189=36...(7) HA THR 18 - H LEU 22 far 5 100 5 - 3.3-7.9 HA ARG 23 - H LEU 22 far 0 100 0 - 3.8-4.3 HA LYS 19 - H LEU 22 far 0 76 0 - 4.6-7.9 HA LYS 31 - H LEU 22 far 0 95 0 - 6.1-21.2 HA ALA 16 - H LEU 22 far 0 93 0 - 7.1-12.0 HA THR 25 - H LEU 22 far 0 100 0 - 7.5-10.1 HA LYS 26 - H LEU 22 far 0 81 0 - 7.7-11.1 HA2 GLY 75 - H LEU 22 far 0 63 0 - 9.8-33.4 HA ALA 15 - H LEU 22 far 0 100 0 - 9.8-14.8 Violated in 20 structures by 0.17 A. Peak 6186 from nnoeabs.peaks (1.34, 8.15, 121.80 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.97: * QB ALA 21 + H LEU 22 OK 97 100 100 97 3.1-3.7 367=86, 6181/6184=44...(7) HG2 LYS 19 - H LEU 22 far 0 76 0 - 5.5-7.7 QB ALA 12 - H LEU 22 far 0 87 0 - 9.4-19.9 Violated in 20 structures by 0.23 A. Peak 6187 from nnoeabs.peaks (4.27, 8.15, 121.80 ppm; 2.53 A): 2 out of 11 assignments used, quality = 0.96: * HA LEU 22 + H LEU 22 OK 91 100 100 91 2.8-2.9 2.9=63, 2.9/6189=36...(8) HA ALA 21 + H LEU 22 OK 59 78 100 75 2.9-3.4 2.1/6186=42, 3.6=35...(5) HA THR 18 - H LEU 22 far 4 73 5 - 3.3-7.9 HA ARG 23 - H LEU 22 far 0 87 0 - 3.8-4.3 HA LYS 19 - H LEU 22 far 0 100 0 - 4.6-7.9 HA LYS 31 - H LEU 22 far 0 98 0 - 6.1-21.2 HA ALA 16 - H LEU 22 far 0 99 0 - 7.1-12.0 HA THR 25 - H LEU 22 far 0 76 0 - 7.5-10.1 HA GLN 27 - H LEU 22 far 0 73 0 - 7.6-13.4 HA LYS 26 - H LEU 22 far 0 100 0 - 7.7-11.1 HA ALA 15 - H LEU 22 far 0 89 0 - 9.8-14.8 Violated in 20 structures by 0.17 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 2.9-3.8 1.8/6189=86, 376=79...(23) Violated in 12 structures by 0.07 A. Peak 6189 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.78 A): 1 out of 3 assignments used, quality = 0.86: * HB3 LEU 22 + H LEU 22 OK 86 100 90 95 2.8-3.9 1.8/6188=49, 384=45...(18) HG LEU 22 - H LEU 22 far 10 100 10 - 2.7-5.2 HG3 ARG 23 - H LEU 22 far 5 98 5 - 3.6-7.0 Violated in 18 structures by 0.32 A. Peak 6190 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.93 A): 1 out of 3 assignments used, quality = 0.88: HB3 LEU 22 + H LEU 22 OK 88 100 90 97 2.8-3.9 1.8/6188=55, 384=52...(19) ! HG LEU 22 - H LEU 22 far 10 100 10 - 2.7-5.2 HG3 ARG 23 - H LEU 22 far 5 98 5 - 3.6-7.0 Violated in 15 structures by 0.19 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 1.8-4.6 400=100, 3.1/6189=95...(15) QG2 ILE 32 - H LEU 22 far 5 95 5 - 5.5-18.3 Violated in 0 structures by 0.00 A. Peak 6192 from nnoeabs.peaks (0.89, 8.15, 121.80 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + H LEU 22 OK 100 100 100 100 2.3-4.6 3.1/6189=70, 409/2.9=62...(19) QG2 VAL 20 + H LEU 22 OK 59 100 75 79 1.8-5.0 4.3/6184=41...(5) QG1 VAL 20 - H LEU 22 poor 19 95 20 - 3.7-5.2 Violated in 14 structures by 0.16 A. Peak 6193 from nnoeabs.peaks (8.24, 8.15, 121.80 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 23 + H LEU 22 OK 100 100 100 100 1.8-3.7 4.6=100 H LYS 31 - H LEU 22 far 0 96 0 - 7.2-18.6 H ALA 29 - H LEU 22 far 0 100 0 - 7.2-17.6 H SER 33 - H LEU 22 far 0 95 0 - 8.1-22.5 H GLU 30 - H LEU 22 far 0 89 0 - 9.4-17.9 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 1.8-3.7 4.6=100 H ILE 32 - H ARG 23 far 0 99 0 - 9.0-21.3 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (4.27, 8.24, 121.99 ppm; 2.53 A): 2 out of 11 assignments used, quality = 1.00: * HA LEU 22 + H ARG 23 OK 99 100 100 99 2.2-3.1 375=97, 2.9/6197=26...(12) HA ARG 23 + H ARG 23 OK 81 87 100 94 2.3-2.9 2.9=64, 3.0/6203=35...(12) HA ALA 21 - H ARG 23 far 0 78 0 - 3.6-6.0 HA THR 18 - H ARG 23 far 0 73 0 - 5.1-9.1 HA LYS 19 - H ARG 23 far 0 100 0 - 5.4-9.6 HA LYS 31 - H ARG 23 far 0 98 0 - 6.9-20.8 HA THR 25 - H ARG 23 far 0 76 0 - 7.0-8.4 HA LYS 26 - H ARG 23 far 0 100 0 - 7.2-9.8 HA GLN 27 - H ARG 23 far 0 73 0 - 7.5-12.7 HA ALA 16 - H ARG 23 far 0 99 0 - 7.9-14.8 HA ALA 15 - H ARG 23 far 0 89 0 - 9.3-16.4 Violated in 10 structures by 0.02 A. Peak 6197 from nnoeabs.peaks (1.54, 8.24, 121.99 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LEU 22 + H ARG 23 OK 99 100 100 99 3.8-4.4 2.9/375=74, 383=58...(15) Violated in 20 structures by 0.51 A. Peak 6198 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.98: * HB3 LEU 22 + H ARG 23 OK 90 100 90 99 4.1-4.6 2.9/375=77, 1.8/383=57...(14) HG3 ARG 23 + H ARG 23 OK 83 98 85 100 1.9-4.9 430/6203=71, 3.0/6204=67...(19) HG LEU 22 - H ARG 23 far 5 100 5 - 4.4-6.0 Violated in 5 structures by 0.07 A. Peak 6199 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + H ARG 23 OK 100 100 100 100 4.1-4.6 2.9/375=82, 1.8/383=64...(14) HG3 ARG 23 + H ARG 23 OK 88 98 90 100 1.9-4.9 430/6203=77, 3.0/6204=73...(19) ! HG LEU 22 - H ARG 23 far 10 100 10 - 4.4-6.0 Violated in 3 structures by 0.02 A. Peak 6200 from nnoeabs.peaks (0.84, 8.24, 121.99 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 22 + H ARG 23 OK 100 100 100 100 3.3-4.9 401/375=96, 407=87...(15) QG2 ILE 32 - H ARG 23 far 0 95 0 - 6.2-19.2 Violated in 13 structures by 0.04 A. Peak 6201 from nnoeabs.peaks (0.89, 8.24, 121.99 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.92: * QD1 LEU 22 + H ARG 23 OK 75 100 75 100 2.6-5.5 409/375=78, 3.1/6197=65...(14) QG2 VAL 20 + H ARG 23 OK 70 100 95 74 2.2-5.4 3.2/11783=43...(9) QG1 VAL 20 - H ARG 23 poor 19 95 20 - 4.0-7.0 Violated in 0 structures by 0.00 A. Peak 6202 from nnoeabs.peaks (4.29, 8.24, 121.99 ppm; 2.53 A): 2 out of 10 assignments used, quality = 0.99: * HA ARG 23 + H ARG 23 OK 94 100 100 94 2.3-2.9 2.9=64, 424/6211=35...(12) HA LEU 22 + H ARG 23 OK 80 87 100 92 2.2-3.1 375=78, 2.9/6197=26...(12) HA ALA 21 - H ARG 23 far 0 100 0 - 3.6-6.0 HA THR 18 - H ARG 23 far 0 99 0 - 5.1-9.1 HA LYS 19 - H ARG 23 far 0 85 0 - 5.4-9.6 HA LYS 31 - H ARG 23 far 0 98 0 - 6.9-20.8 HA THR 25 - H ARG 23 far 0 100 0 - 7.0-8.4 HA LYS 26 - H ARG 23 far 0 89 0 - 7.2-9.8 HA ALA 16 - H ARG 23 far 0 97 0 - 7.9-14.8 HA ALA 15 - H ARG 23 far 0 100 0 - 9.3-16.4 Violated in 10 structures by 0.02 A. Peak 6203 from nnoeabs.peaks (1.75, 8.24, 121.99 ppm; 2.86 A): 1 out of 5 assignments used, quality = 0.96: * HB2 ARG 23 + H ARG 23 OK 96 100 100 96 2.1-2.9 1.8/6204=61, 425=59...(9) HB2 LYS 24 - H ARG 23 far 0 99 0 - 5.3-6.8 HB2 LYS 31 - H ARG 23 far 0 96 0 - 6.4-18.1 HB2 LYS 26 - H ARG 23 far 0 100 0 - 6.8-11.8 HB2 LYS 19 - H ARG 23 far 0 100 0 - 7.3-10.3 Violated in 2 structures by 0.00 A. Peak 6204 from nnoeabs.peaks (1.82, 8.24, 121.99 ppm; 3.04 A): 1 out of 6 assignments used, quality = 0.99: * HB3 ARG 23 + H ARG 23 OK 99 100 100 99 3.1-3.9 434=73, 1.8/6203=73...(10) HB3 LYS 24 - H ARG 23 far 0 98 0 - 4.5-6.8 HB3 LYS 31 - H ARG 23 far 0 97 0 - 5.4-19.2 HB3 LYS 19 - H ARG 23 far 0 97 0 - 6.3-8.8 HB3 LYS 26 - H ARG 23 far 0 100 0 - 6.6-11.7 HB ILE 32 - H ARG 23 far 0 100 0 - 9.5-22.8 Violated in 20 structures by 0.53 A. Peak 6205 from nnoeabs.peaks (1.57, 8.24, 121.99 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 23 + H ARG 23 OK 100 100 100 100 1.9-4.0 3.0/6203=72, 3.0/6204=69...(19) Violated in 7 structures by 0.05 A. Peak 6206 from nnoeabs.peaks (1.63, 8.24, 121.99 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: HB3 LEU 22 + H ARG 23 OK 98 98 100 100 4.1-4.6 2.9/375=81, 1.8/383=62...(14) * HG3 ARG 23 + H ARG 23 OK 90 100 90 100 1.9-4.9 430/6203=77, 3.0/6204=72...(19) HG LEU 22 - H ARG 23 far 10 98 10 - 4.4-6.0 HD2 LYS 19 - H ARG 23 far 0 76 0 - 8.5-11.6 HD3 LYS 19 - H ARG 23 far 0 76 0 - 8.6-10.9 Violated in 4 structures by 0.03 A. Peak 6207 from nnoeabs.peaks (3.17, 8.24, 121.99 ppm; 5.36 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 23 + H ARG 23 OK 100 100 100 100 2.1-5.7 3.7/6203=95, 3.0/6205=93...(17) * HD2 ARG 23 + H ARG 23 OK 100 100 100 100 2.6-5.4 3.7/6203=95, 3.0/6205=93...(16) 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 2 assignments used, quality = 1.00: * HD3 ARG 23 + H ARG 23 OK 100 100 100 100 2.1-5.7 3.7/6203=95, 3.0/6205=93...(17) HD2 ARG 23 + H ARG 23 OK 100 100 100 100 2.6-5.4 3.7/6203=95, 3.0/6205=93...(16) Violated in 0 structures by 0.00 A. Peak 6209 from nnoeabs.peaks (8.37, 8.24, 121.99 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + H ARG 23 OK 100 100 100 100 2.6-3.5 6211=100, 424/2.9=63...(14) H GLN 27 - H ARG 23 far 0 85 0 - 5.8-11.5 H LYS 26 - H ARG 23 far 0 100 0 - 6.4-9.9 H LYS 19 - H ARG 23 far 0 83 0 - 6.7-9.7 H ASP 35 - H ARG 23 far 0 89 0 - 8.5-27.2 Violated in 12 structures by 0.11 A. Peak 6210 from nnoeabs.peaks (8.37, 8.37, 122.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + H LYS 24 OK 100 100 - 100 Peak 6211 from nnoeabs.peaks (8.24, 8.37, 122.93 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.99: * H ARG 23 + H LYS 24 OK 99 100 100 99 2.6-3.5 6209=90, 2.9/424=59...(14) H LYS 31 - H LYS 24 far 0 96 0 - 6.1-17.9 H GLU 30 - H LYS 24 far 0 89 0 - 7.7-15.6 H ALA 29 - H LYS 24 far 0 100 0 - 8.0-15.3 H SER 33 - H LYS 24 far 0 95 0 - 9.1-21.7 Violated in 14 structures by 0.18 A. Peak 6212 from nnoeabs.peaks (4.29, 8.37, 122.93 ppm; 2.52 A): 1 out of 9 assignments used, quality = 0.89: * HA ARG 23 + H LYS 24 OK 89 100 95 94 2.5-3.4 424=87, 2.9/6211=31...(7) HA LEU 22 - H LYS 24 poor 15 87 35 50 2.9-5.2 375/6211=28...(8) HA LYS 19 - H LYS 24 far 0 85 0 - 4.7-12.0 HA THR 25 - H LYS 24 far 0 100 0 - 5.0-5.6 HA LYS 26 - H LYS 24 far 0 89 0 - 5.9-7.5 HA ALA 21 - H LYS 24 far 0 100 0 - 6.3-7.8 HA LYS 31 - H LYS 24 far 0 98 0 - 6.9-19.0 HA THR 18 - H LYS 24 far 0 99 0 - 7.0-11.5 HA GLN 61 - H LYS 24 far 0 100 0 - 8.3-38.7 Violated in 19 structures by 0.31 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 2.6-3.5 3.0/6219=65, 1.8/6214=55...(22) ! HB2 ARG 23 - H LYS 24 far 10 100 10 - 3.4-4.7 HB2 LYS 26 - H LYS 24 far 0 100 0 - 5.4-9.4 HB2 LYS 31 - H LYS 24 far 0 96 0 - 5.6-16.9 HB2 LYS 19 - H LYS 24 far 0 100 0 - 6.8-13.0 Violated in 4 structures by 0.03 A. Peak 6214 from nnoeabs.peaks (1.82, 8.37, 122.93 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.98: HB3 LYS 24 + H LYS 24 OK 98 98 100 100 2.1-3.7 1.8/6220=80, 482/6219=71...(19) ! HB3 ARG 23 - H LYS 24 poor 19 100 20 96 4.1-4.5 3.0/424=66, 6204/6211=56...(6) HB3 LYS 31 - H LYS 24 far 0 97 0 - 4.9-18.1 HB3 LYS 19 - H LYS 24 far 0 97 0 - 5.9-11.7 HB3 LYS 26 - H LYS 24 far 0 100 0 - 6.0-9.6 HB ILE 32 - H LYS 24 far 0 100 0 - 9.1-20.5 Violated in 16 structures by 0.14 A. Peak 6215 from nnoeabs.peaks (1.57, 8.37, 122.93 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.99: * HG2 ARG 23 + H LYS 24 OK 99 100 100 99 2.8-4.7 4.6=82, 3.8/424=77...(8) Violated in 6 structures by 0.07 A. Peak 6216 from nnoeabs.peaks (1.63, 8.37, 122.93 ppm; 4.30 A): 2 out of 5 assignments used, quality = 0.73: HB3 LEU 22 + H LYS 24 OK 50 98 60 85 4.1-5.3 4.6/6211=55...(6) * HG3 ARG 23 + H LYS 24 OK 45 100 45 100 3.1-5.8 4.6=82, 1.8/6215=77...(8) HG LEU 22 - H LYS 24 poor 20 98 20 - 4.3-6.3 HD2 LYS 19 - H LYS 24 far 0 76 0 - 8.5-13.9 HD3 LYS 19 - H LYS 24 far 0 76 0 - 9.5-13.6 Violated in 13 structures by 0.20 A. Peak 6219 from nnoeabs.peaks (4.33, 8.37, 122.93 ppm; 2.52 A): 1 out of 1 assignment used, quality = 0.98: * HA LYS 24 + H LYS 24 OK 98 100 100 98 2.7-2.9 479=81, 491/6220=32...(13) Violated in 20 structures by 0.26 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 2.6-3.5 491/6219=59, 1.8/6214=50...(21) HB2 ARG 23 - H LYS 24 far 5 99 5 - 3.4-4.7 HB2 LYS 26 - H LYS 24 far 0 100 0 - 5.4-9.4 HB2 LYS 31 - H LYS 24 far 0 100 0 - 5.6-16.9 HB2 LYS 19 - H LYS 24 far 0 100 0 - 6.8-13.0 Violated in 4 structures by 0.07 A. Peak 6221 from nnoeabs.peaks (1.81, 8.37, 122.93 ppm; 3.45 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 24 + H LYS 24 OK 100 100 100 100 2.1-3.7 1.8/6220=81, 482/6219=74...(20) HB3 ARG 23 + H LYS 24 OK 38 98 40 97 4.1-4.5 3.0/424=68, 6204/6211=55...(6) HB3 LYS 31 - H LYS 24 far 0 100 0 - 4.9-18.1 HB3 LYS 19 - H LYS 24 far 0 100 0 - 5.9-11.7 HB3 LYS 26 - H LYS 24 far 0 100 0 - 6.0-9.6 HB ILE 32 - H LYS 24 far 0 100 0 - 9.1-20.5 Violated in 1 structures by 0.00 A. Peak 6222 from nnoeabs.peaks (1.38, 8.37, 122.93 ppm; 3.25 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 24 + H LYS 24 OK 100 100 100 100 1.8-3.5 483/6219=63, 1.8/6223=60...(31) HG3 LYS 26 - H LYS 24 far 5 100 5 - 3.4-9.3 QB ALA 28 - H LYS 24 far 5 100 5 - 3.9-12.7 HG3 LYS 31 - H LYS 24 far 0 97 0 - 6.2-19.6 QB ALA 16 - H LYS 24 far 0 71 0 - 7.3-14.5 QB ALA 29 - H LYS 24 far 0 100 0 - 7.3-14.2 HG2 LYS 19 - H LYS 24 far 0 92 0 - 7.5-11.4 QB ALA 15 - H LYS 24 far 0 100 0 - 9.5-17.0 Violated in 4 structures by 0.03 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, 484/6219=67...(30) HG2 LYS 26 - H LYS 24 far 5 95 5 - 4.2-10.5 HG2 LYS 31 - H LYS 24 far 0 100 0 - 5.7-19.5 HG3 LYS 19 - H LYS 24 far 0 100 0 - 7.2-11.9 QB ALA 34 - H LYS 24 far 0 65 0 - 7.4-23.4 HG13 ILE 32 - H LYS 24 far 0 99 0 - 7.8-18.1 Violated in 2 structures by 0.00 A. Peak 6228 from nnoeabs.peaks (8.10, 8.37, 122.93 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 25 + H LYS 24 OK 100 100 100 100 2.7-3.4 6230=100, 6231/6219=60...(9) Violated in 4 structures by 0.02 A. Peak 6229 from nnoeabs.peaks (8.10, 8.10, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 25 + H THR 25 OK 100 100 - 100 Peak 6230 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 3.00 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 24 + H THR 25 OK 99 100 100 99 2.7-3.4 6228=84, 6219/6231=54...(9) H LYS 26 - H THR 25 far 10 100 10 - 1.8-4.5 H GLN 27 - H THR 25 far 0 85 0 - 4.6-7.6 H ASP 35 - H THR 25 far 0 89 0 - 7.7-24.3 H LYS 19 - H THR 25 far 0 83 0 - 8.5-15.3 H THR 65 - H THR 25 far 0 97 0 - 9.0-35.1 Violated in 13 structures by 0.11 A. Peak 6231 from nnoeabs.peaks (4.33, 8.10, 115.50 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.99: * HA LYS 24 + H THR 25 OK 99 100 100 99 3.5-3.6 489=72, 6219/6230=56...(12) Violated in 20 structures by 0.52 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 1.9-3.9 1.8/6233=78, 500=64...(13) HB2 LYS 26 - H THR 25 far 0 100 0 - 4.5-6.9 HB2 ARG 23 - H THR 25 far 0 99 0 - 5.2-7.3 HB2 LYS 31 - H THR 25 far 0 100 0 - 6.5-15.3 HB2 LYS 19 - H THR 25 far 0 100 0 - 7.3-15.6 Violated in 1 structures by 0.02 A. Peak 6233 from nnoeabs.peaks (1.81, 8.10, 115.50 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LYS 24 + H THR 25 OK 99 100 100 99 2.4-3.4 1.8/6232=64, 482/6231=58...(17) HB3 ARG 23 - H THR 25 far 5 98 5 - 4.1-6.7 HB3 LYS 26 - H THR 25 far 0 100 0 - 5.3-7.4 HB3 LYS 31 - H THR 25 far 0 100 0 - 6.3-15.7 HB3 LYS 19 - H THR 25 far 0 100 0 - 6.7-14.3 HB ILE 32 - H THR 25 far 0 100 0 - 6.8-18.7 Violated in 9 structures by 0.03 A. Peak 6234 from nnoeabs.peaks (1.38, 8.10, 115.50 ppm; 3.45 A): 1 out of 7 assignments used, quality = 0.74: * HG2 LYS 24 + H THR 25 OK 74 100 75 99 1.9-5.0 483/6231=60, 2.9/6233=58...(18) HG3 LYS 26 - H THR 25 far 15 100 15 - 3.0-6.6 QB ALA 28 - H THR 25 far 5 100 5 - 2.9-10.5 QB ALA 29 - H THR 25 far 0 100 0 - 5.0-12.1 HG3 LYS 31 - H THR 25 far 0 97 0 - 6.7-17.4 QB ALA 16 - H THR 25 far 0 71 0 - 8.6-16.8 HG2 LYS 19 - H THR 25 far 0 92 0 - 9.0-14.3 Violated in 19 structures by 0.58 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 3.5-5.3 1.8/6234=100...(22) HG2 LYS 26 - H THR 25 far 14 95 15 - 4.8-8.0 HG13 ILE 32 - H THR 25 far 0 99 0 - 6.2-16.4 HG2 LYS 31 - H THR 25 far 0 100 0 - 7.0-17.2 QB ALA 34 - H THR 25 far 0 65 0 - 7.2-22.2 HG3 LYS 19 - H THR 25 far 0 100 0 - 8.4-14.6 Violated in 1 structures by 0.01 A. Peak 6236 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 5.16 A): 3 out of 7 assignments used, quality = 1.00: HD3 LYS 24 + H THR 25 OK 100 100 100 100 2.4-5.7 3.0/6234=94, 3.5/6233=89...(15) * HD2 LYS 24 + H THR 25 OK 95 100 95 100 3.8-6.4 3.0/6234=94, 3.5/6233=89...(20) HD2 LYS 26 + H THR 25 OK 29 100 30 98 4.5-9.2 ~11150=52, ~9587=31...(45) HD3 LYS 26 - H THR 25 far 10 100 10 - 4.7-8.9 HD2 LYS 31 - H THR 25 far 0 100 0 - 7.7-18.9 HD3 LYS 31 - H THR 25 far 0 100 0 - 7.8-18.8 HD2 LYS 19 - H THR 25 far 0 96 0 - 9.5-16.7 Violated in 0 structures by 0.00 A. Peak 6237 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 5.16 A): 3 out of 7 assignments used, quality = 1.00: * HD3 LYS 24 + H THR 25 OK 100 100 100 100 2.4-5.7 3.0/6234=94, 3.5/6233=89...(15) HD2 LYS 24 + H THR 25 OK 95 100 95 100 3.8-6.4 3.0/6234=94, 3.5/6233=89...(20) HD2 LYS 26 + H THR 25 OK 29 100 30 98 4.5-9.2 ~11150=52, ~9587=31...(45) HD3 LYS 26 - H THR 25 far 10 100 10 - 4.7-8.9 HD2 LYS 31 - H THR 25 far 0 100 0 - 7.7-18.9 HD3 LYS 31 - H THR 25 far 0 100 0 - 7.8-18.8 HD2 LYS 19 - H THR 25 far 0 97 0 - 9.5-16.7 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 9 assignments used, quality = 1.00: * HA THR 25 + H THR 25 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 23 - H THR 25 far 10 100 10 - 3.1-5.1 HA LEU 22 - H THR 25 far 0 76 0 - 4.3-8.3 HA LYS 26 - H THR 25 far 0 78 0 - 4.4-5.8 HA LYS 19 - H THR 25 far 0 73 0 - 5.8-14.5 HA GLN 61 - H THR 25 far 0 97 0 - 5.8-36.7 HA LYS 31 - H THR 25 far 0 93 0 - 8.1-17.8 HA ALA 21 - H THR 25 far 0 100 0 - 8.5-10.5 HA THR 18 - H THR 25 far 0 100 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (4.20, 8.10, 115.50 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.94: * HB THR 25 + H THR 25 OK 94 100 95 99 2.7-3.9 583=87, 2.1/6242=63...(8) HA ALA 29 - H THR 25 far 0 65 0 - 6.1-13.4 HA GLU 30 - H THR 25 far 0 73 0 - 7.3-15.7 Violated in 17 structures by 0.38 A. Peak 6242 from nnoeabs.peaks (1.19, 8.10, 115.50 ppm; 2.92 A): 1 out of 3 assignments used, quality = 0.95: * QG2 THR 25 + H THR 25 OK 95 100 100 95 1.9-3.3 2.1/6241=59, 581/3.0=48...(10) HG12 ILE 32 - H THR 25 far 0 71 0 - 5.2-16.2 QG2 THR 18 - H THR 25 far 0 90 0 - 6.6-13.5 Violated in 8 structures by 0.12 A. Peak 6243 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 3.00 A): 1 out of 6 assignments used, quality = 0.99: H LYS 24 + H THR 25 OK 99 100 100 99 2.7-3.4 6228=84, 6219/6231=54...(9) ! H LYS 26 - H THR 25 far 10 100 10 - 1.8-4.5 H GLN 27 - H THR 25 far 0 87 0 - 4.6-7.6 H ASP 35 - H THR 25 far 0 90 0 - 7.7-24.3 H LYS 19 - H THR 25 far 0 81 0 - 8.5-15.3 H THR 65 - H THR 25 far 0 97 0 - 9.0-35.1 Violated in 13 structures by 0.11 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 15 100 15 - 1.8-4.5 Violated in 18 structures by 1.01 A. Peak 6246 from nnoeabs.peaks (4.29, 8.37, 123.67 ppm; 2.50 A): 2 out of 8 assignments used, quality = 0.97: * HA THR 25 + H LYS 26 OK 91 100 95 96 2.1-3.4 582=89, 3.0/6247=30...(6) HA LYS 26 + H LYS 26 OK 71 78 100 91 2.7-2.9 2.9=62, 3.0/6250=35...(11) HA ARG 23 - H LYS 26 far 0 100 0 - 4.2-7.9 HA GLN 61 - H LYS 26 far 0 97 0 - 6.6-37.5 HA LEU 22 - H LYS 26 far 0 76 0 - 6.8-11.9 HA LYS 31 - H LYS 26 far 0 93 0 - 7.5-15.4 HA LYS 19 - H LYS 26 far 0 73 0 - 8.3-17.1 HA2 GLY 75 - H LYS 26 far 0 65 0 - 9.6-27.4 Violated in 12 structures by 0.04 A. Peak 6247 from nnoeabs.peaks (4.20, 8.37, 123.67 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.92: * HB THR 25 + H LYS 26 OK 92 100 95 97 1.8-4.6 587=61, 3.0/582=57...(11) HA ALA 29 - H LYS 26 far 0 65 0 - 6.1-11.5 HA ALA 34 - H LYS 26 far 0 76 0 - 7.2-20.9 HA GLU 30 - H LYS 26 far 0 73 0 - 8.6-13.4 Violated in 15 structures by 0.30 A. Peak 6248 from nnoeabs.peaks (1.19, 8.37, 123.67 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.99: * QG2 THR 25 + H LYS 26 OK 99 100 100 99 2.2-4.0 2.1/6247=73, 581/582=71...(11) HG12 ILE 32 - H LYS 26 far 7 71 10 - 3.9-12.9 QB ALA 41 - H LYS 26 far 0 89 0 - 8.5-21.4 QG2 THR 18 - H LYS 26 far 0 90 0 - 8.9-16.1 Violated in 10 structures by 0.11 A. Peak 6249 from nnoeabs.peaks (4.27, 8.37, 123.67 ppm; 2.51 A): 2 out of 8 assignments used, quality = 0.97: * HA LYS 26 + H LYS 26 OK 92 100 100 92 2.7-2.9 2.9=62, 3.0/6250=36...(11) HA THR 25 + H LYS 26 OK 62 78 95 84 2.1-3.4 582=61, 3.0/6247=30...(5) HA ARG 23 - H LYS 26 far 0 89 0 - 4.2-7.9 HA GLN 27 - H LYS 26 far 0 71 0 - 5.2-6.0 HA GLN 61 - H LYS 26 far 0 96 0 - 6.6-37.5 HA LEU 22 - H LYS 26 far 0 100 0 - 6.8-11.9 HA LYS 31 - H LYS 26 far 0 99 0 - 7.5-15.4 HA LYS 19 - H LYS 26 far 0 100 0 - 8.3-17.1 Violated in 11 structures by 0.03 A. Peak 6250 from nnoeabs.peaks (1.75, 8.37, 123.67 ppm; 2.70 A): 1 out of 5 assignments used, quality = 0.96: * HB2 LYS 26 + H LYS 26 OK 96 100 100 96 2.5-3.3 1.8/6251=56, 3.0/6253=31...(29) HB2 LYS 24 - H LYS 26 far 5 100 5 - 2.9-8.0 HB2 LYS 31 - H LYS 26 far 0 99 0 - 5.2-12.7 HB2 ARG 23 - H LYS 26 far 0 100 0 - 5.9-10.0 HB2 LYS 19 - H LYS 26 far 0 100 0 - 9.3-18.0 Violated in 15 structures by 0.11 A. Peak 6251 from nnoeabs.peaks (1.82, 8.37, 123.67 ppm; 2.98 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LYS 26 + H LYS 26 OK 99 100 100 99 3.6-3.7 1.8/6250=75, 4.0=40...(29) HB3 LYS 24 - H LYS 26 far 10 100 10 - 2.9-7.3 HB3 ARG 23 - H LYS 26 far 0 100 0 - 4.7-9.3 HB3 LYS 31 - H LYS 26 far 0 99 0 - 6.5-13.6 HB ILE 32 - H LYS 26 far 0 100 0 - 6.6-15.6 HB3 LYS 19 - H LYS 26 far 0 99 0 - 8.6-16.8 HB2 LYS 36 - H LYS 26 far 0 100 0 - 10.0-18.3 Violated in 20 structures by 0.62 A. Peak 6252 from nnoeabs.peaks (1.43, 8.37, 123.67 ppm; 3.61 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + H LYS 26 OK 100 100 100 100 3.2-3.8 1.8/6253=74, 3.0/6250=72...(52) HG13 ILE 32 - H LYS 26 far 5 99 5 - 4.5-13.4 QB ALA 34 - H LYS 26 far 0 93 0 - 4.6-19.2 HG3 LYS 24 - H LYS 26 far 0 95 0 - 5.0-8.8 HG2 LYS 31 - H LYS 26 far 0 98 0 - 6.1-14.5 HG3 LYS 19 - H LYS 26 far 0 97 0 - 9.3-17.2 QB ALA 16 - H LYS 26 far 0 63 0 - 9.9-19.6 Violated in 6 structures by 0.03 A. Peak 6253 from nnoeabs.peaks (1.38, 8.37, 123.67 ppm; 3.55 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 26 + H LYS 26 OK 100 100 100 100 1.8-2.5 1.8/6252=71, 3.0/6250=70...(48) QB ALA 28 - H LYS 26 far 5 100 5 - 4.3-8.1 QB ALA 29 - H LYS 26 far 0 100 0 - 4.9-10.3 HG2 LYS 24 - H LYS 26 far 0 100 0 - 5.3-8.4 HG3 LYS 31 - H LYS 26 far 0 98 0 - 6.8-14.2 HG2 LYS 36 - H LYS 26 far 0 100 0 - 9.6-21.0 HG2 LYS 19 - H LYS 26 far 0 89 0 - 9.8-17.2 QB ALA 16 - H LYS 26 far 0 76 0 - 9.9-19.6 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: * HD2 LYS 26 + H LYS 26 OK 100 100 100 100 1.8-4.9 3.5/6250=89, 2.9/6253=85...(74) HD3 LYS 26 + H LYS 26 OK 100 100 100 100 2.6-4.6 3.5/6250=89, 2.9/6253=85...(72) HD3 LYS 24 - H LYS 26 far 10 100 10 - 5.4-9.8 HD2 LYS 24 - H LYS 26 far 0 100 0 - 6.4-10.1 HD3 LYS 31 - H LYS 26 far 0 100 0 - 8.3-16.4 HD2 LYS 31 - H LYS 26 far 0 100 0 - 8.3-16.6 HD2 LYS 36 - H LYS 26 far 0 97 0 - 9.1-19.8 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 2.6-4.6 3.5/6250=89, 2.9/6253=85...(72) HD2 LYS 26 + H LYS 26 OK 100 100 100 100 1.8-4.9 3.5/6250=89, 2.9/6253=85...(74) HD3 LYS 24 - H LYS 26 far 10 100 10 - 5.4-9.8 HD2 LYS 24 - H LYS 26 far 0 100 0 - 6.4-10.1 HD3 LYS 31 - H LYS 26 far 0 100 0 - 8.3-16.4 HD2 LYS 31 - H LYS 26 far 0 100 0 - 8.3-16.6 HD2 LYS 36 - H LYS 26 far 0 96 0 - 9.1-19.8 Violated in 0 structures by 0.00 A. Peak 6258 from nnoeabs.peaks (8.39, 8.37, 123.67 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: H LYS 26 + H LYS 26 OK 87 87 - 100 Reference assignment not found: H GLN 27 - H LYS 26 Peak 6259 from nnoeabs.peaks (8.39, 8.39, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 27 + H GLN 27 OK 100 100 - 100 Peak 6260 from nnoeabs.peaks (8.37, 8.39, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: H GLN 27 + H GLN 27 OK 87 87 - 100 Reference assignment not found: H LYS 26 - H GLN 27 Peak 6261 from nnoeabs.peaks (4.27, 8.39, 121.72 ppm; 2.68 A): 2 out of 8 assignments used, quality = 0.95: * HA LYS 26 + H GLN 27 OK 86 100 100 86 2.6-3.6 3.6=42, 3.0/6262=33...(9) HA GLN 27 + H GLN 27 OK 67 71 100 94 2.7-2.9 3.0=75, 3.0/6271=42...(8) HA ARG 23 - H GLN 27 far 0 89 0 - 3.7-9.5 HA THR 25 - H GLN 27 far 0 78 0 - 4.0-6.8 HA LYS 31 - H GLN 27 far 0 99 0 - 5.5-12.2 HA LYS 19 - H GLN 27 far 0 100 0 - 6.6-18.0 HA LEU 22 - H GLN 27 far 0 100 0 - 8.3-14.2 HA ALA 21 - H GLN 27 far 0 81 0 - 9.4-15.1 Violated in 3 structures by 0.01 A. Peak 6262 from nnoeabs.peaks (1.75, 8.39, 121.72 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.98: * HB2 LYS 26 + H GLN 27 OK 98 100 100 98 1.9-3.8 1.8/6263=70, 3.0/6265=45...(11) HB2 LYS 31 - H GLN 27 far 15 99 15 - 2.6-10.7 HB2 ARG 23 - H GLN 27 far 5 100 5 - 4.0-11.8 HB2 LYS 24 - H GLN 27 far 0 100 0 - 5.1-11.1 HB2 LYS 19 - H GLN 27 far 0 100 0 - 6.4-18.1 Violated in 15 structures by 0.17 A. Peak 6263 from nnoeabs.peaks (1.82, 8.39, 121.72 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.98: * HB3 LYS 26 + H GLN 27 OK 98 100 100 98 1.8-3.3 1.8/6262=70, 3.0/6265=45...(10) HB3 ARG 23 - H GLN 27 far 5 100 5 - 2.7-11.3 HB3 LYS 31 - H GLN 27 far 5 99 5 - 3.7-11.3 HB3 LYS 24 - H GLN 27 far 0 100 0 - 5.3-10.7 HB ILE 32 - H GLN 27 far 0 100 0 - 5.7-12.4 HB3 LYS 19 - H GLN 27 far 0 99 0 - 5.9-17.3 Violated in 1 structures by 0.00 A. Peak 6264 from nnoeabs.peaks (1.43, 8.39, 121.72 ppm; 4.75 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + H GLN 27 OK 100 100 100 100 2.3-4.4 1.8/6265=98, 3.0/6262=90...(18) HG2 LYS 31 - H GLN 27 far 15 98 15 - 3.8-12.1 HG13 ILE 32 - H GLN 27 poor 12 99 25 48 4.0-10.1 1.8/10758=23...(5) QB ALA 34 - H GLN 27 far 0 93 0 - 6.7-16.5 HG3 LYS 24 - H GLN 27 far 0 95 0 - 7.1-12.5 HG3 LYS 19 - H GLN 27 far 0 97 0 - 7.7-16.2 QB ALA 16 - H GLN 27 far 0 63 0 - 9.8-19.0 Violated in 0 structures by 0.00 A. Peak 6265 from nnoeabs.peaks (1.38, 8.39, 121.72 ppm; 3.63 A): 1 out of 8 assignments used, quality = 0.99: * HG3 LYS 26 + H GLN 27 OK 99 100 100 99 1.9-4.5 3.0/6262=62, 3.0/6263=62...(15) QB ALA 28 - H GLN 27 poor 20 100 20 - 4.3-5.9 HG3 LYS 31 - H GLN 27 far 5 98 5 - 4.2-12.6 QB ALA 29 - H GLN 27 far 0 100 0 - 4.6-8.9 HG2 LYS 24 - H GLN 27 far 0 100 0 - 7.8-11.8 HG2 LYS 19 - H GLN 27 far 0 89 0 - 8.7-16.3 QB ALA 16 - H GLN 27 far 0 76 0 - 9.8-19.0 QB ALA 15 - H GLN 27 far 0 100 0 - 10.0-22.2 Violated in 16 structures by 0.26 A. Peak 6266 from nnoeabs.peaks (1.66, 8.39, 121.72 ppm; 5.28 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 26 + H GLN 27 OK 100 100 100 100 2.7-5.8 2.9/6265=94, 3.5/6262=92...(17) HD3 LYS 26 + H GLN 27 OK 100 100 100 100 3.9-5.8 2.9/6265=94, 3.5/6262=92...(17) HD3 LYS 31 - H GLN 27 far 15 100 15 - 5.6-12.0 HD2 LYS 31 - H GLN 27 far 5 100 5 - 5.0-12.1 HD3 LYS 24 - H GLN 27 far 0 100 0 - 7.6-12.1 HD2 LYS 19 - H GLN 27 far 0 97 0 - 8.1-18.3 HD2 LYS 24 - H GLN 27 far 0 100 0 - 8.4-13.3 HD3 LYS 19 - H GLN 27 far 0 97 0 - 8.7-18.5 HD2 LYS 36 - H GLN 27 far 0 97 0 - 9.9-17.6 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 9 assignments used, quality = 1.00: * HD3 LYS 26 + H GLN 27 OK 100 100 100 100 3.9-5.8 2.9/6265=94, 3.5/6262=92...(17) HD2 LYS 26 + H GLN 27 OK 100 100 100 100 2.7-5.8 2.9/6265=94, 3.5/6262=92...(17) HD3 LYS 31 - H GLN 27 far 15 100 15 - 5.6-12.0 HD2 LYS 31 - H GLN 27 far 5 100 5 - 5.0-12.1 HD3 LYS 24 - H GLN 27 far 0 100 0 - 7.6-12.1 HD2 LYS 19 - H GLN 27 far 0 98 0 - 8.1-18.3 HD2 LYS 24 - H GLN 27 far 0 100 0 - 8.4-13.3 HD3 LYS 19 - H GLN 27 far 0 98 0 - 8.7-18.5 HD2 LYS 36 - H GLN 27 far 0 96 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 6270 from nnoeabs.peaks (4.24, 8.39, 121.72 ppm; 2.50 A): 2 out of 8 assignments used, quality = 0.94: * HA GLN 27 + H GLN 27 OK 89 100 100 89 2.7-2.9 3.0=61, 3.0/6271=36...(8) HA LYS 26 + H GLN 27 OK 42 71 75 79 2.6-3.6 3.6=34, 3.0/6262=29...(8) HA ALA 29 - H GLN 27 far 0 92 0 - 4.7-9.4 HA ALA 28 - H GLN 27 far 0 99 0 - 5.0-5.9 HA LYS 19 - H GLN 27 far 0 76 0 - 6.6-18.0 HA GLU 30 - H GLN 27 far 0 87 0 - 7.5-11.3 HA LEU 22 - H GLN 27 far 0 73 0 - 8.3-14.2 HA ALA 34 - H GLN 27 far 0 85 0 - 9.6-17.8 Violated in 9 structures by 0.05 A. Peak 6271 from nnoeabs.peaks (1.96, 8.39, 121.72 ppm; 2.66 A): 1 out of 2 assignments used, quality = 0.94: * HB2 GLN 27 + H GLN 27 OK 94 100 100 94 2.1-3.0 701=59, 1.8/6272=53...(15) HB2 GLU 30 - H GLN 27 far 0 98 0 - 4.8-9.4 Violated in 13 structures by 0.11 A. Peak 6272 from nnoeabs.peaks (2.06, 8.39, 121.72 ppm; 3.01 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLN 27 + H GLN 27 OK 99 100 100 99 2.2-3.6 1.8/6271=78, 710=73...(14) QE MET 11 - H GLN 27 far 0 83 0 - 6.5-28.9 Violated in 18 structures by 0.49 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: HG3 GLN 27 + H GLN 27 OK 93 99 95 99 1.9-4.3 3.0/6271=66, 3.0/6272=59...(15) * HG2 GLN 27 + H GLN 27 OK 84 100 85 99 1.8-4.6 3.0/6271=66, 3.0/6272=59...(16) HG3 GLU 30 - H GLN 27 far 0 81 0 - 5.3-10.8 Violated in 3 structures by 0.06 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: * HG3 GLN 27 + H GLN 27 OK 94 100 95 99 1.9-4.3 3.0/6271=66, 3.0/6272=59...(15) HG2 GLN 27 + H GLN 27 OK 84 99 85 99 1.8-4.6 3.0/6271=66, 3.0/6272=59...(16) HG3 GLU 30 - H GLN 27 far 0 65 0 - 5.3-10.8 Violated in 3 structures by 0.06 A. Peak 6277 from nnoeabs.peaks (8.33, 8.39, 121.72 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 28 + H GLN 27 OK 100 100 100 100 2.3-4.6 4.6=100 H ALA 21 - H GLN 27 far 0 85 0 - 8.4-14.3 H LYS 19 - H GLN 27 far 0 78 0 - 8.9-17.2 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 5 assignments used, quality = 1.00: * HB3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.0-4.5 4.6=100 HB3 GLU 44 - HE21 GLN 68 far 3 56 5 - 7.7-10.7 QE MET 11 - HE21 GLN 68 far 0 51 0 - 8.5-36.7 HB2 LEU 62 - HE21 GLN 68 far 0 70 0 - 9.1-12.5 HB3 GLN 27 - HE21 GLN 68 far 0 70 0 - 9.9-28.2 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 8 assignments used, quality = 1.00: * HG2 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.1-3.6 3.5=100 HG3 GLN 27 + HE21 GLN 27 OK 99 99 100 100 2.1-3.6 3.5=100 HG3 GLN 68 + HE21 GLN 68 OK 35 35 100 100 2.2-3.5 3.5=100 HG3 GLU 30 - HE21 GLN 27 lone 4 81 45 11 3.0-12.3 ~730=2, ~706=2, ~705=2...(6) HG3 GLN 27 - HE21 GLN 68 far 0 69 0 - 8.1-30.9 HG2 GLN 27 - HE21 GLN 68 far 0 70 0 - 8.2-30.3 HG3 GLU 30 - HE21 GLN 68 far 0 50 0 - 9.7-25.4 HG2 GLU 44 - HE21 GLN 68 far 0 59 0 - 9.8-13.4 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 7 assignments used, quality = 1.00: * HG3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 99 99 100 100 2.1-3.6 3.5=100 HG3 GLU 30 - HE21 GLN 27 lone 3 65 45 11 3.0-12.3 ~730=2, ~706=2, ~705=2...(6) HG3 GLN 27 - HE21 GLN 68 far 0 70 0 - 8.1-30.9 HG2 GLN 27 - HE21 GLN 68 far 0 69 0 - 8.2-30.3 HG3 GLU 30 - HE21 GLN 68 far 0 39 0 - 9.7-25.4 HG2 GLU 44 - HE21 GLN 68 far 0 50 0 - 9.8-13.4 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 - 5.6-12.0 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 3.0-6.6 6.8=100 H ASP 35 - HE22 GLN 27 far 5 100 5 - 7.0-17.9 H LYS 24 - HE22 GLN 27 far 4 85 5 - 6.9-15.1 H LYS 26 - HE22 GLN 27 lone 3 87 30 13 6.4-10.3 2.9/6288=8, ~11671=2 Violated in 0 structures by 0.00 A. Peak 6288 from nnoeabs.peaks (4.24, 7.54, 112.56 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * HA GLN 27 + HE22 GLN 27 OK 100 100 100 100 4.0-6.6 5.9=100 HA ALA 28 + HE22 GLN 27 OK 46 99 50 93 5.3-8.8 10785/4.6=40, ~10724=34...(9) HA LYS 26 + HE22 GLN 27 OK 23 71 45 71 4.8-9.9 3.6/6287=69, 11671/3.5=2 HA ALA 29 + HE22 GLN 27 OK 21 92 45 50 4.2-11.0 10785/4.6=20...(4) HA GLU 30 - HE22 GLN 27 poor 13 87 50 31 5.3-13.7 ~730=4, ~706=4, ~705=4...(10) HA LYS 19 - HE22 GLN 27 far 8 76 10 - 5.7-21.8 HA ALA 34 - HE22 GLN 27 far 0 85 0 - 8.5-19.2 HA LEU 22 - HE22 GLN 27 far 0 73 0 - 8.7-18.5 Violated in 0 structures by 0.00 A. Peak 6290 from nnoeabs.peaks (2.06, 7.54, 112.56 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.4-5.3 4.6=100 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 3.4-4.1 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 12 81 15 - 3.5-12.7 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 3.4-4.1 3.5=100 HG3 GLU 30 - HE22 GLN 27 far 10 65 15 - 3.5-12.7 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 2.3-4.6 4.6=100 H LYS 26 + H ALA 28 OK 23 87 30 88 4.9-7.7 4.0/10769=74...(4) H LYS 24 - H ALA 28 far 0 85 0 - 7.1-13.2 H ASP 35 - H ALA 28 far 0 100 0 - 9.5-16.2 Violated in 0 structures by 0.00 A. Peak 6296 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 2.59 A): 2 out of 7 assignments used, quality = 0.96: HA ALA 28 + H ALA 28 OK 89 99 100 90 2.3-2.9 3.0=68, 2.1/6304=58...(7) * HA GLN 27 + H ALA 28 OK 66 100 70 94 2.2-3.6 700=75, 3.0/6298=32...(13) HA ALA 29 - H ALA 28 far 0 92 0 - 4.7-6.0 HA LYS 26 - H ALA 28 far 0 71 0 - 4.8-6.9 HA GLU 30 - H ALA 28 far 0 87 0 - 5.6-7.8 HA LYS 19 - H ALA 28 far 0 76 0 - 7.1-17.0 HA LEU 22 - H ALA 28 far 0 73 0 - 8.3-17.7 Violated in 4 structures by 0.04 A. Peak 6297 from nnoeabs.peaks (1.96, 8.33, 125.44 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 27 + H ALA 28 OK 99 100 100 99 1.8-3.9 1.8/6298=74, 3.0/700=60...(27) HB2 GLU 30 + H ALA 28 OK 41 98 45 94 3.5-6.5 10791/6304=55, ~10742=24...(21) Violated in 11 structures by 0.05 A. Peak 6298 from nnoeabs.peaks (2.06, 8.33, 125.44 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLN 27 + H ALA 28 OK 99 100 100 99 1.8-3.7 3.0/700=56, 718=47...(26) Violated in 4 structures by 0.05 A. Peak 6299 from nnoeabs.peaks (2.35, 8.33, 125.44 ppm; 4.43 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 27 + H ALA 28 OK 100 100 100 100 1.9-4.8 3.0/6298=84, 3.7/700=77...(27) HG3 GLN 27 + H ALA 28 OK 99 99 100 100 1.9-5.3 3.0/6298=84, 3.7/700=77...(29) HG3 GLU 30 + H ALA 28 OK 47 81 60 98 2.8-7.1 10792/6304=44, ~10791=38...(18) Violated in 0 structures by 0.00 A. Peak 6300 from nnoeabs.peaks (2.36, 8.33, 125.44 ppm; 4.43 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 27 + H ALA 28 OK 100 100 100 100 1.9-5.3 3.0/6298=84, 3.7/700=77...(29) HG2 GLN 27 + H ALA 28 OK 99 99 100 100 1.9-4.8 3.0/6298=84, 3.7/700=77...(27) HG3 GLU 30 + H ALA 28 OK 38 65 60 97 2.8-7.1 ~10791=38, ~10743=38...(18) Violated in 0 structures by 0.00 A. Peak 6303 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 2.59 A): 2 out of 5 assignments used, quality = 0.97: * HA ALA 28 + H ALA 28 OK 90 100 100 90 2.3-2.9 3.0=68, 2.1/6304=58...(9) HA GLN 27 + H ALA 28 OK 65 99 70 93 2.2-3.6 700=74, 3.0/6298=32...(13) HA ALA 29 - H ALA 28 far 0 98 0 - 4.7-6.0 HA GLU 30 - H ALA 28 far 0 96 0 - 5.6-7.8 HA LYS 19 - H ALA 28 far 0 60 0 - 7.1-17.0 Violated in 4 structures by 0.04 A. Peak 6304 from nnoeabs.peaks (1.38, 8.33, 125.44 ppm; 2.50 A): 1 out of 7 assignments used, quality = 0.88: * QB ALA 28 + H ALA 28 OK 88 100 100 88 2.0-2.9 2.9=63, 2.1/6303=30...(14) HG3 LYS 26 - H ALA 28 far 0 100 0 - 4.0-8.5 QB ALA 29 - H ALA 28 far 0 100 0 - 4.5-6.0 HG3 LYS 31 - H ALA 28 far 0 99 0 - 6.0-10.8 HG2 LYS 24 - H ALA 28 far 0 100 0 - 8.1-15.1 HG2 LYS 19 - H ALA 28 far 0 85 0 - 8.9-18.4 QB ALA 16 - H ALA 28 far 0 81 0 - 9.2-20.0 Violated in 7 structures by 0.09 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 2.6-4.6 4.6=100 H GLU 30 + H ALA 28 OK 87 93 100 93 3.2-5.1 6316/2.9=45, 3.6/737=33...(12) H LYS 31 + H ALA 28 OK 73 92 85 93 3.1-7.2 4.0/10770=75, 6307=29...(10) H SER 33 - H ALA 28 far 0 90 0 - 6.5-11.9 H ARG 23 - H ALA 28 far 0 100 0 - 7.6-15.0 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 6 assignments used, quality = 1.00: * H ALA 28 + H ALA 29 OK 100 100 100 100 2.6-4.6 4.6=100 H ALA 28 + H LYS 31 OK 40 51 85 94 3.1-7.2 10770/4.0=75, 6305=28...(10) H ALA 21 - H ALA 29 far 0 85 0 - 7.4-19.0 H LYS 19 - H LYS 31 far 0 33 0 - 8.0-19.5 H LYS 19 - H ALA 29 far 0 78 0 - 9.1-20.1 H ALA 21 - H LYS 31 far 0 37 0 - 9.2-18.7 Violated in 0 structures by 0.00 A. Peak 6308 from nnoeabs.peaks (4.24, 8.25, 122.97 ppm; 2.79 A): 3 out of 11 assignments used, quality = 0.99: HA ALA 29 + H ALA 29 OK 94 98 100 96 2.3-2.9 2.9=86, 2.1/6311=44...(12) * HA ALA 28 + H ALA 29 OK 67 100 100 67 2.1-3.5 3.6=48, 2.1/6309=21...(7) HA GLU 30 + H LYS 31 OK 35 45 100 79 2.6-3.6 3.6=48, 3.0/773=17...(9) HA GLN 27 - H ALA 29 far 5 99 5 - 3.5-7.1 HA ALA 29 - H LYS 31 far 5 47 10 - 3.4-6.5 HA GLN 27 - H LYS 31 far 0 49 0 - 4.0-9.2 HA GLU 30 - H ALA 29 far 0 96 0 - 4.8-5.4 HA ALA 28 - H LYS 31 far 0 51 0 - 5.0-8.7 HA LYS 19 - H ALA 29 far 0 60 0 - 7.3-20.3 HA LYS 19 - H LYS 31 far 0 24 0 - 7.5-18.4 HA HIS 67 - H ALA 29 far 0 83 0 - 9.9-25.5 Violated in 0 structures by 0.00 A. Peak 6309 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.52 A): 2 out of 16 assignments used, quality = 0.90: QB ALA 29 + H ALA 29 OK 84 100 100 84 2.1-2.9 2.9=63, 2.1/6310=34...(11) * QB ALA 28 + H ALA 29 OK 41 100 60 68 1.8-3.7 3.7=31, 2.1/6310=21...(9) QB ALA 28 - H LYS 31 far 5 51 10 - 3.3-6.1 HG3 LYS 31 - H LYS 31 far 5 49 10 - 1.9-5.1 HG3 LYS 26 - H ALA 29 far 0 100 0 - 4.0-10.9 HG3 LYS 26 - H LYS 31 far 0 50 0 - 4.3-12.7 QB ALA 29 - H LYS 31 far 0 50 0 - 4.4-6.3 HG3 LYS 31 - H ALA 29 far 0 99 0 - 5.1-11.0 QB ALA 16 - H LYS 31 far 0 35 0 - 5.6-20.3 HG2 LYS 24 - H LYS 31 far 0 50 0 - 6.9-19.6 HG2 LYS 19 - H LYS 31 far 0 37 0 - 7.4-18.9 QB ALA 15 - H LYS 31 far 0 51 0 - 7.9-21.8 HG2 LYS 19 - H ALA 29 far 0 85 0 - 8.5-19.6 HG2 LYS 24 - H ALA 29 far 0 100 0 - 8.6-16.6 QB ALA 16 - H ALA 29 far 0 81 0 - 9.2-22.1 HG2 LYS 36 - H LYS 31 far 0 50 0 - 9.8-13.4 Violated in 8 structures by 0.07 A. Peak 6310 from nnoeabs.peaks (4.23, 8.25, 122.97 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.92: * HA ALA 29 + H ALA 29 OK 84 100 100 84 2.3-2.9 2.9=62, 2.1/6311=36...(12) HA ALA 28 + H ALA 29 OK 51 98 95 55 2.1-3.5 3.6=34, 2.1/6309=18...(7) HA GLU 30 - H LYS 31 far 3 50 5 - 2.6-3.6 HA ALA 29 - H LYS 31 far 0 51 0 - 3.4-6.5 HA GLN 27 - H ALA 29 far 0 92 0 - 3.5-7.1 HA GLN 27 - H LYS 31 far 0 42 0 - 4.0-9.2 HA GLU 30 - H ALA 29 far 0 100 0 - 4.8-5.4 HA ALA 28 - H LYS 31 far 0 47 0 - 5.0-8.7 HB THR 25 - H ALA 29 far 0 65 0 - 6.8-11.0 HB THR 25 - H LYS 31 far 0 27 0 - 8.5-14.4 HA HIS 67 - H ALA 29 far 0 97 0 - 9.9-25.5 Violated in 5 structures by 0.01 A. Peak 6311 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.52 A): 2 out of 16 assignments used, quality = 0.90: * QB ALA 29 + H ALA 29 OK 84 100 100 84 2.1-2.9 2.9=63, 2.1/6310=34...(11) QB ALA 28 + H ALA 29 OK 41 100 60 68 1.8-3.7 3.7=31, 2.1/6310=21...(9) QB ALA 28 - H LYS 31 far 5 50 10 - 3.3-6.1 HG3 LYS 31 - H LYS 31 far 5 47 10 - 1.9-5.1 HG3 LYS 26 - H ALA 29 far 0 100 0 - 4.0-10.9 HG3 LYS 26 - H LYS 31 far 0 51 0 - 4.3-12.7 QB ALA 29 - H LYS 31 far 0 51 0 - 4.4-6.3 HG3 LYS 31 - H ALA 29 far 0 97 0 - 5.1-11.0 QB ALA 16 - H LYS 31 far 0 31 0 - 5.6-20.3 HG2 LYS 24 - H LYS 31 far 0 51 0 - 6.9-19.6 HG2 LYS 19 - H LYS 31 far 0 41 0 - 7.4-18.9 QB ALA 15 - H LYS 31 far 0 50 0 - 7.9-21.8 HG2 LYS 19 - H ALA 29 far 0 90 0 - 8.5-19.6 HG2 LYS 24 - H ALA 29 far 0 100 0 - 8.6-16.6 QB ALA 16 - H ALA 29 far 0 73 0 - 9.2-22.1 HG2 LYS 36 - H LYS 31 far 0 51 0 - 9.8-13.4 Violated in 8 structures by 0.07 A. Peak 6312 from nnoeabs.peaks (8.26, 8.25, 122.97 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: H ALA 29 + H ALA 29 OK 93 93 - 100 H LYS 31 + H LYS 31 OK 24 24 - 100 Reference assignment not found: H GLU 30 - H ALA 29 Peak 6313 from nnoeabs.peaks (8.26, 8.26, 119.71 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H GLU 30 + H GLU 30 OK 100 100 - 100 H LEU 123 + H LEU 123 OK 100 100 - 100 H ASP 131 + H ASP 131 OK 91 91 - 100 Peak 6314 from nnoeabs.peaks (8.25, 8.26, 119.71 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: H LEU 123 + H LEU 123 OK 96 96 - 100 H GLU 30 + H GLU 30 OK 93 93 - 100 H ASP 131 + H ASP 131 OK 69 69 - 100 Reference assignment not found: H ALA 29 - H GLU 30 Peak 6315 from nnoeabs.peaks (4.23, 8.26, 119.71 ppm; 2.73 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 30 + H GLU 30 OK 97 100 100 97 2.7-2.9 3.0=80, 3.0/6318=41...(11) * HA ALA 29 + H GLU 30 OK 82 100 100 82 2.7-3.5 3.6=45, 2.1/6316=27...(14) HA ALA 28 - H GLU 30 far 5 98 5 - 3.0-5.1 HA GLN 27 - H GLU 30 far 0 92 0 - 3.9-7.2 HA SER 124 - H LEU 123 far 0 95 0 - 5.4-5.5 HA SER 99 - H LEU 123 far 0 96 0 - 7.4-9.5 HB THR 25 - H GLU 30 far 0 65 0 - 8.0-11.7 HA SER 124 - H ASP 131 far 0 87 0 - 8.3-9.3 HA SER 51 - H LEU 123 far 0 95 0 - 9.3-11.6 HA ALA 88 - H ASP 131 far 0 62 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 6316 from nnoeabs.peaks (1.38, 8.26, 119.71 ppm; 2.86 A): 2 out of 14 assignments used, quality = 0.97: QB ALA 28 + H GLU 30 OK 83 100 100 83 2.1-3.5 10791/6318=40...(11) * QB ALA 29 + H GLU 30 OK 82 100 100 82 2.9-3.7 3.7=47, 2.1/6315=29...(12) HG3 LYS 31 - H GLU 30 far 5 97 5 - 3.6-7.9 HG3 LYS 26 - H GLU 30 far 0 100 0 - 4.5-12.0 HB2 LEU 96 - H LEU 123 far 0 100 0 - 5.7-7.9 HB3 LEU 100 - H LEU 123 far 0 100 0 - 7.5-10.5 HG2 LYS 19 - H GLU 30 far 0 90 0 - 7.5-18.9 HG LEU 96 - H LEU 123 far 0 88 0 - 7.6-9.3 QB ALA 16 - H GLU 30 far 0 73 0 - 8.0-21.0 HB2 LEU 42 - H ASP 131 far 0 94 0 - 8.0-9.4 HG2 LYS 24 - H GLU 30 far 0 100 0 - 8.1-17.1 QB ALA 108 - H LEU 123 far 0 99 0 - 9.5-16.5 HB2 LEU 96 - H ASP 131 far 0 94 0 - 9.5-10.7 QB ALA 15 - H GLU 30 far 0 100 0 - 9.7-23.9 Violated in 10 structures by 0.06 A. Peak 6317 from nnoeabs.peaks (4.22, 8.26, 119.71 ppm; 2.73 A): 3 out of 11 assignments used, quality = 1.00: * HA GLU 30 + H GLU 30 OK 97 100 100 97 2.7-2.9 3.0=80, 3.0/6318=41...(11) HA ALA 29 + H GLU 30 OK 82 100 100 82 2.7-3.5 3.6=45, 2.1/6316=27...(14) HA GLU 128 + H ASP 131 OK 29 52 100 56 3.2-3.6 3.6/7896=15...(9) HA ALA 28 - H GLU 30 far 5 96 5 - 3.0-5.1 HA GLN 27 - H GLU 30 far 0 87 0 - 3.9-7.2 HA SER 124 - H LEU 123 far 0 91 0 - 5.4-5.5 HA SER 99 - H LEU 123 far 0 98 0 - 7.4-9.5 HB THR 25 - H GLU 30 far 0 73 0 - 8.0-11.7 HA SER 124 - H ASP 131 far 0 82 0 - 8.3-9.3 HA SER 51 - H LEU 123 far 0 97 0 - 9.3-11.6 HA ALA 88 - H ASP 131 far 0 69 0 - 9.5-10.4 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 = 0.97: * HB2 GLU 30 + H GLU 30 OK 97 100 100 97 2.1-2.9 1.8/6319=57, 4.0=34...(16) HG LEU 53 - H LEU 123 far 8 82 10 - 2.5-8.6 HB2 GLN 27 - H GLU 30 far 0 98 0 - 4.5-8.2 HB3 LYS 95 - H LEU 123 far 0 89 0 - 8.3-9.8 HB2 LYS 95 - H LEU 123 far 0 84 0 - 8.7-10.7 Violated in 2 structures by 0.01 A. Peak 6319 from nnoeabs.peaks (2.02, 8.26, 119.71 ppm; 3.11 A): 1 out of 8 assignments used, quality = 0.99: * HB3 GLU 30 + H GLU 30 OK 99 100 100 99 3.4-3.7 1.8/6318=77, 4.0=47...(12) HB3 LEU 53 - H LEU 123 far 0 67 0 - 4.1-9.0 HB ILE 129 - H ASP 131 far 0 79 0 - 4.5-4.9 HB2 GLN 134 - H ASP 131 far 0 94 0 - 5.0-7.5 HG3 ARG 135 - H ASP 131 far 0 85 0 - 5.4-8.9 HB VAL 20 - H GLU 30 far 0 87 0 - 8.1-19.7 HB3 PRO 117 - H LEU 123 far 0 96 0 - 8.2-9.4 HB ILE 129 - H LEU 123 far 0 88 0 - 9.8-10.8 Violated in 20 structures by 0.39 A. Peak 6320 from nnoeabs.peaks (2.29, 8.26, 119.71 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 30 + H GLU 30 OK 100 100 100 100 2.8-3.8 1.8/6321=72, 3.0/6318=70...(13) HB VAL 132 - H ASP 131 far 0 92 0 - 4.7-5.4 Violated in 12 structures by 0.04 A. Peak 6321 from nnoeabs.peaks (2.33, 8.26, 119.71 ppm; 3.44 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 30 + H GLU 30 OK 100 100 100 100 1.9-3.5 1.8/6320=66, 3.0/6318=64...(12) HG3 GLN 27 - H GLU 30 poor 5 65 35 21 2.0-8.8 10792/6316=6, 4.9/6305=5...(7) HG2 GLN 27 - H GLU 30 lone 5 81 30 19 2.1-8.6 10724/6316=6, 4.9/6305=5...(6) HB3 GLN 134 - H ASP 131 far 0 94 0 - 4.4-7.4 HG2 GLN 127 - H LEU 123 far 0 75 0 - 6.2-8.3 HG2 GLN 127 - H ASP 131 far 0 66 0 - 6.2-8.2 HG2 GLU 102 - H LEU 123 far 0 64 0 - 8.9-14.6 HB2 PRO 117 - H LEU 123 far 0 56 0 - 9.2-10.4 Violated in 11 structures by 0.03 A. Peak 6322 from nnoeabs.peaks (8.23, 8.26, 119.71 ppm; diagonal): 2 out of 2 assignments used, quality = 0.87: H LEU 123 + H LEU 123 OK 67 67 - 100 H GLU 30 + H GLU 30 OK 60 60 - 100 Reference assignment not found: H LYS 31 - H GLU 30 Peak 6323 from nnoeabs.peaks (8.23, 8.23, 122.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 31 + H LYS 31 OK 100 100 - 100 H ALA 29 + H ALA 29 OK 42 42 - 100 Peak 6324 from nnoeabs.peaks (8.26, 8.23, 122.66 ppm; diagonal): 2 out of 2 assignments used, quality = 0.77: H LYS 31 + H LYS 31 OK 60 60 - 100 H ALA 29 + H ALA 29 OK 43 43 - 100 Reference assignment not found: H GLU 30 - H LYS 31 Peak 6325 from nnoeabs.peaks (4.22, 8.23, 122.66 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.52: HA ALA 29 + H ALA 29 OK 38 50 100 76 2.3-2.9 2.9=62, 2.1/6311=9...(11) HA ALA 28 + H ALA 29 OK 22 45 95 51 2.1-3.5 3.6=34, 2.1/6334=14...(6) ! HA GLU 30 - H LYS 31 far 5 100 5 - 2.6-3.6 HA ALA 29 - H LYS 31 far 0 100 0 - 3.4-6.5 HA GLN 27 - H ALA 29 far 0 38 0 - 3.5-7.1 HA GLN 27 - H LYS 31 far 0 87 0 - 4.0-9.2 HA GLU 30 - H ALA 29 far 0 51 0 - 4.8-5.4 HA ALA 28 - H LYS 31 far 0 96 0 - 5.0-8.7 HB THR 25 - H ALA 29 far 0 31 0 - 6.8-11.0 HB THR 25 - H LYS 31 far 0 73 0 - 8.5-14.4 HA HIS 67 - H ALA 29 far 0 48 0 - 9.9-25.5 Violated in 5 structures by 0.01 A. Peak 6326 from nnoeabs.peaks (1.96, 8.23, 122.66 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLU 30 + H LYS 31 OK 99 100 100 99 2.0-3.9 1.8/6327=75, 4.6=43...(15) HB2 GLN 27 - H ALA 29 poor 12 47 25 - 3.0-8.0 HB2 GLN 27 - H LYS 31 far 5 98 5 - 3.4-8.9 HB2 GLU 30 - H ALA 29 far 0 51 0 - 4.5-5.3 Violated in 5 structures by 0.09 A. Peak 6327 from nnoeabs.peaks (2.02, 8.23, 122.66 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.98: * HB3 GLU 30 + H LYS 31 OK 98 100 100 98 2.0-3.6 1.8/6326=68, 773=50...(10) HB VAL 20 - H LYS 31 far 0 87 0 - 5.9-19.9 HB3 GLU 30 - H ALA 29 far 0 51 0 - 6.0-6.5 HB VAL 20 - H ALA 29 far 0 38 0 - 6.1-20.6 Violated in 7 structures by 0.04 A. Peak 6328 from nnoeabs.peaks (2.29, 8.23, 122.66 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 30 + H LYS 31 OK 100 100 100 100 2.0-5.1 3.0/6327=83, 3.0/6326=81...(10) HG2 GLU 30 - H ALA 29 poor 15 51 30 - 4.9-6.3 HG2 GLN 61 - H ALA 29 far 0 49 0 - 9.4-33.4 Violated in 8 structures by 0.11 A. Peak 6329 from nnoeabs.peaks (2.33, 8.23, 122.66 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 30 + H LYS 31 OK 100 100 100 100 1.8-5.2 3.0/6327=84, 3.0/6326=82...(12) HG3 GLU 30 + H ALA 29 OK 37 51 75 98 3.7-5.9 6321/4.6=53...(20) HG2 GLN 27 - H ALA 29 poor 16 35 45 - 2.1-7.6 HG3 GLN 27 - H ALA 29 poor 12 27 45 - 1.9-8.8 HG2 GLN 27 - H LYS 31 poor 11 81 50 28 2.5-11.0 10764/918=11, 4.9/6305=9...(7) HG3 GLN 27 - H LYS 31 poor 7 65 40 28 2.1-10.7 4.9/6305=9, 10725/918=5...(8) HG3 GLN 68 - H ALA 29 far 0 48 0 - 9.0-23.7 Violated in 2 structures by 0.01 A. Peak 6330 from nnoeabs.peaks (4.28, 8.23, 122.66 ppm; 3.22 A): 1 out of 17 assignments used, quality = 1.00: * HA LYS 31 + H LYS 31 OK 100 100 100 100 2.3-2.9 3.0=100 HA THR 25 - H ALA 29 far 0 43 0 - 5.0-11.6 HA ARG 23 - H LYS 31 far 0 98 0 - 5.1-17.6 HA ARG 23 - H ALA 29 far 0 47 0 - 5.8-14.9 HA LYS 26 - H ALA 29 far 0 48 0 - 6.0-9.8 HA LYS 26 - H LYS 31 far 0 99 0 - 6.2-12.9 HA THR 25 - H LYS 31 far 0 93 0 - 7.0-15.9 HA LYS 31 - H ALA 29 far 0 51 0 - 7.2-9.1 HA LYS 19 - H ALA 29 far 0 47 0 - 7.3-20.3 HA LEU 22 - H LYS 31 far 0 98 0 - 7.5-20.5 HA LYS 19 - H LYS 31 far 0 97 0 - 7.5-18.4 HA ALA 21 - H ALA 29 far 0 44 0 - 8.1-20.6 HA LEU 22 - H ALA 29 far 0 47 0 - 8.7-18.1 HA GLN 61 - H ALA 29 far 0 50 0 - 8.8-31.1 HA LYS 36 - H ALA 29 far 0 50 0 - 8.8-15.8 HA ALA 16 - H LYS 31 far 0 100 0 - 9.1-23.7 HA THR 18 - H LYS 31 far 0 92 0 - 9.8-21.3 Violated in 0 structures by 0.00 A. Peak 6331 from nnoeabs.peaks (1.74, 8.23, 122.66 ppm; 2.78 A): 1 out of 10 assignments used, quality = 0.98: * HB2 LYS 31 + H LYS 31 OK 98 100 100 98 2.2-3.6 799=74, 1.8/6332=62...(43) HB2 ARG 23 - H ALA 29 far 2 45 5 - 3.6-16.9 HB2 LYS 26 - H LYS 31 far 0 99 0 - 3.9-13.4 HB2 LYS 26 - H ALA 29 far 0 49 0 - 5.6-10.7 HB2 LYS 19 - H LYS 31 far 0 99 0 - 5.8-17.9 HB2 LYS 31 - H ALA 29 far 0 51 0 - 5.9-8.9 HB2 LYS 19 - H ALA 29 far 0 49 0 - 6.6-20.3 HB2 LYS 24 - H ALA 29 far 0 50 0 - 6.8-15.6 HB2 ARG 23 - H LYS 31 far 0 96 0 - 6.8-19.1 HB2 LYS 24 - H LYS 31 far 0 100 0 - 6.8-18.2 Violated in 8 structures by 0.10 A. Peak 6332 from nnoeabs.peaks (1.81, 8.23, 122.66 ppm; 2.87 A): 1 out of 14 assignments used, quality = 0.99: * HB3 LYS 31 + H LYS 31 OK 99 100 100 99 2.4-3.6 810=81, 1.8/6331=69...(46) HB3 ARG 23 - H ALA 29 far 0 46 0 - 3.8-16.5 HB3 LYS 26 - H LYS 31 far 0 99 0 - 4.0-11.7 HB3 LYS 26 - H ALA 29 far 0 49 0 - 4.3-10.1 HB ILE 32 - H LYS 31 far 0 99 0 - 4.3-5.8 HB ILE 32 - H ALA 29 far 0 49 0 - 4.3-7.7 HB3 ARG 23 - H LYS 31 far 0 97 0 - 5.8-19.3 HB3 LYS 19 - H LYS 31 far 0 100 0 - 6.4-16.6 HB3 LYS 31 - H ALA 29 far 0 51 0 - 6.6-9.6 HB3 LYS 19 - H ALA 29 far 0 51 0 - 6.7-18.8 HB3 LYS 24 - H ALA 29 far 0 50 0 - 6.8-15.6 HB2 LYS 36 - H ALA 29 far 0 50 0 - 8.4-13.4 HB2 LYS 36 - H LYS 31 far 0 100 0 - 8.4-10.7 HB3 LYS 24 - H LYS 31 far 0 100 0 - 8.6-19.6 Violated in 7 structures by 0.07 A. Peak 6333 from nnoeabs.peaks (1.44, 8.23, 122.66 ppm; 3.95 A): 3 out of 14 assignments used, quality = 1.00: * HG2 LYS 31 + H LYS 31 OK 95 100 95 100 3.1-5.0 3.0/6331=80, 3.0/6332=78...(49) HG13 ILE 32 + H LYS 31 OK 92 100 95 97 2.8-4.9 6345/4.7=45...(12) HG13 ILE 32 + H ALA 29 OK 40 50 80 100 2.8-5.6 ~11488=40, ~10739=40...(31) HG2 LYS 26 - H LYS 31 far 15 98 15 - 2.9-13.1 HG2 LYS 26 - H ALA 29 poor 12 47 25 - 3.0-11.5 HG2 LYS 31 - H ALA 29 far 0 51 0 - 6.4-10.5 HG3 LYS 24 - H ALA 29 far 0 50 0 - 7.1-17.2 QB ALA 34 - H ALA 29 far 0 32 0 - 7.1-13.7 HG3 LYS 19 - H LYS 31 far 0 100 0 - 7.4-18.8 HG3 LYS 24 - H LYS 31 far 0 100 0 - 7.8-20.8 QB ALA 34 - H LYS 31 far 0 76 0 - 8.2-10.7 HG3 LYS 19 - H ALA 29 far 0 50 0 - 8.3-19.2 HG3 LYS 36 - H LYS 31 far 0 71 0 - 8.3-12.4 HG3 LYS 36 - H ALA 29 far 0 29 0 - 9.6-15.5 Violated in 1 structures by 0.00 A. Peak 6334 from nnoeabs.peaks (1.39, 8.23, 122.66 ppm; 3.34 A): 3 out of 18 assignments used, quality = 0.77: QB ALA 29 + H ALA 29 OK 47 47 100 100 2.1-2.9 2.9=100 QB ALA 28 + H ALA 29 OK 45 49 100 92 1.8-3.7 3.7=73, 6304/4.6=34...(9) QB ALA 28 + H LYS 31 OK 21 99 25 85 3.3-6.1 10791/6326=43...(11) ! HG3 LYS 31 - H LYS 31 far 15 100 15 - 1.9-5.1 HG3 LYS 26 - H ALA 29 far 2 47 5 - 4.0-10.9 HG3 LYS 26 - H LYS 31 far 0 98 0 - 4.3-12.7 QB ALA 29 - H LYS 31 far 0 97 0 - 4.4-6.3 HG3 LYS 31 - H ALA 29 far 0 51 0 - 5.1-11.0 QB ALA 16 - H LYS 31 far 0 93 0 - 5.6-20.3 HG2 LYS 24 - H LYS 31 far 0 97 0 - 6.9-19.6 QB ALA 34 - H ALA 29 far 0 25 0 - 7.1-13.7 HG2 LYS 19 - H LYS 31 far 0 68 0 - 7.4-18.9 QB ALA 15 - H LYS 31 far 0 99 0 - 7.9-21.8 QB ALA 34 - H LYS 31 far 0 63 0 - 8.2-10.7 HG2 LYS 19 - H ALA 29 far 0 28 0 - 8.5-19.6 HG2 LYS 24 - H ALA 29 far 0 46 0 - 8.6-16.6 QB ALA 16 - H ALA 29 far 0 43 0 - 9.2-22.1 HG2 LYS 36 - H LYS 31 far 0 97 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 6335 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 4.71 A): 2 out of 19 assignments used, quality = 0.95: * HD2 LYS 31 + H LYS 31 OK 85 100 85 100 3.9-5.8 3.5/6331=88, 3.5/6332=87...(68) HD3 LYS 31 + H LYS 31 OK 65 100 65 100 3.6-6.0 3.5/6331=88, 3.5/6332=87...(68) HD3 LYS 26 - H LYS 31 far 15 100 15 - 3.1-14.2 HD2 LYS 26 - H ALA 29 poor 10 51 20 - 4.7-12.5 HD2 LYS 26 - H LYS 31 poor 5 100 25 20 2.0-14.7 6347/4.7=4, 10842/918=4...(6) HD3 LYS 26 - H ALA 29 far 5 50 10 - 4.8-12.0 HD2 LYS 19 - H LYS 31 far 5 96 5 - 5.0-19.1 HD3 LYS 31 - H ALA 29 far 0 51 0 - 5.9-11.1 HD3 LYS 19 - H LYS 31 far 0 96 0 - 6.2-20.4 HD3 LYS 24 - H ALA 29 far 0 51 0 - 6.7-17.3 HD2 LYS 31 - H ALA 29 far 0 51 0 - 6.8-12.0 HD2 LYS 19 - H ALA 29 far 0 45 0 - 7.7-20.4 HD2 LYS 36 - H LYS 31 far 0 98 0 - 8.1-11.6 HD2 LYS 24 - H ALA 29 far 0 51 0 - 8.3-18.6 HD3 LYS 24 - H LYS 31 far 0 100 0 - 8.4-21.0 HD2 LYS 36 - H ALA 29 far 0 47 0 - 8.8-13.8 HD2 LYS 24 - H LYS 31 far 0 100 0 - 9.0-20.5 HD3 LYS 19 - H ALA 29 far 0 45 0 - 9.1-20.6 HD3 LYS 36 - H LYS 31 far 0 98 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 6336 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 4.71 A): 2 out of 19 assignments used, quality = 0.95: HD2 LYS 31 + H LYS 31 OK 85 100 85 100 3.9-5.8 3.5/6331=88, 3.5/6332=87...(68) * HD3 LYS 31 + H LYS 31 OK 65 100 65 100 3.6-6.0 3.5/6331=88, 3.5/6332=87...(68) HD3 LYS 26 - H LYS 31 far 15 100 15 - 3.1-14.2 HD2 LYS 26 - H ALA 29 poor 10 51 20 - 4.7-12.5 HD2 LYS 26 - H LYS 31 poor 5 100 25 20 2.0-14.7 6347/4.7=4, 10842/918=4...(6) HD3 LYS 26 - H ALA 29 far 5 50 10 - 4.8-12.0 HD2 LYS 19 - H LYS 31 far 5 97 5 - 5.0-19.1 HD3 LYS 31 - H ALA 29 far 0 51 0 - 5.9-11.1 HD3 LYS 19 - H LYS 31 far 0 97 0 - 6.2-20.4 HD3 LYS 24 - H ALA 29 far 0 51 0 - 6.7-17.3 HD2 LYS 31 - H ALA 29 far 0 51 0 - 6.8-12.0 HD2 LYS 19 - H ALA 29 far 0 46 0 - 7.7-20.4 HD2 LYS 36 - H LYS 31 far 0 97 0 - 8.1-11.6 HD2 LYS 24 - H ALA 29 far 0 51 0 - 8.3-18.6 HD3 LYS 24 - H LYS 31 far 0 100 0 - 8.4-21.0 HD2 LYS 36 - H ALA 29 far 0 47 0 - 8.8-13.8 HD2 LYS 24 - H LYS 31 far 0 100 0 - 9.0-20.5 HD3 LYS 19 - H ALA 29 far 0 46 0 - 9.1-20.6 HD3 LYS 36 - H LYS 31 far 0 97 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 6337 from nnoeabs.peaks (2.96, 8.23, 122.66 ppm; 6.80 A): 2 out of 18 assignments used, quality = 1.00: * HE2 LYS 31 + H LYS 31 OK 100 100 100 100 3.5-7.3 4.8/6331=99, 4.8/6332=98...(54) HE3 LYS 31 + H LYS 31 OK 100 100 100 100 4.3-6.8 4.8/6331=99, 4.8/6332=98...(53) HE3 LYS 26 - H LYS 31 poor 20 100 20 - 4.0-15.4 HE2 LYS 26 - H ALA 29 poor 15 50 30 - 5.3-12.7 HE2 LYS 31 - H ALA 29 poor 13 51 25 - 5.1-12.7 HE3 LYS 31 - H ALA 29 far 8 50 15 - 6.6-12.4 HE2 LYS 26 - H LYS 31 poor 6 100 25 23 4.7-14.2 9008/10802=13...(3) HE3 LYS 19 - H LYS 31 far 5 100 5 - 4.5-19.7 HE2 LYS 19 - H LYS 31 far 5 99 5 - 4.6-20.1 HE3 LYS 26 - H ALA 29 poor 4 50 40 22 5.6-12.0 9008/934=9, 3.6/821=2...(5) HE3 LYS 19 - H ALA 29 far 3 51 5 - 7.5-21.3 HE2 LYS 19 - H ALA 29 far 2 49 5 - 6.3-21.9 HE2 LYS 24 - H ALA 29 far 2 47 5 - 7.5-18.4 HE3 LYS 24 - H ALA 29 far 0 50 0 - 7.9-18.5 HE2 LYS 36 - H LYS 31 far 0 99 0 - 8.1-13.1 HE3 LYS 24 - H LYS 31 far 0 100 0 - 8.6-22.5 HE2 LYS 24 - H LYS 31 far 0 98 0 - 9.2-22.5 HE3 LYS 36 - H LYS 31 far 0 100 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 6338 from nnoeabs.peaks (2.97, 8.23, 122.66 ppm; 6.80 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 31 + H LYS 31 OK 100 100 100 100 4.3-6.8 4.8/6331=99, 4.8/6332=98...(53) HE2 LYS 31 + H LYS 31 OK 100 100 100 100 3.5-7.3 4.8/6331=99, 4.8/6332=98...(54) HE2 LYS 26 - H ALA 29 poor 15 51 30 - 5.3-12.7 HE2 LYS 31 - H ALA 29 poor 13 50 25 - 5.1-12.7 HE3 LYS 31 - H ALA 29 far 8 51 15 - 6.6-12.4 HE2 LYS 26 - H LYS 31 poor 6 100 25 23 4.7-14.2 9008/10802=13...(3) HE3 LYS 19 - H LYS 31 far 5 100 5 - 4.5-19.7 HE2 LYS 19 - H LYS 31 far 5 98 5 - 4.6-20.1 HE3 LYS 26 - H ALA 29 poor 4 51 40 22 5.6-12.0 9008/934=9, 3.6/821=2...(5) HE3 LYS 26 - H LYS 31 poor 4 100 20 20 4.0-15.4 9008/10802=10...(3) HE3 LYS 19 - H ALA 29 far 3 50 5 - 7.5-21.3 HE2 LYS 19 - H ALA 29 far 2 47 5 - 6.3-21.9 HE2 LYS 24 - H ALA 29 far 2 45 5 - 7.5-18.4 HE3 LYS 24 - H ALA 29 far 0 49 0 - 7.9-18.5 HE2 LYS 36 - H LYS 31 far 0 97 0 - 8.1-13.1 HE3 LYS 24 - H LYS 31 far 0 99 0 - 8.6-22.5 HE2 LYS 24 - H LYS 31 far 0 96 0 - 9.2-22.5 HE3 LYS 36 - H LYS 31 far 0 99 0 - 9.5-13.7 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 2.2-3.1 4.7=100 H ILE 32 + H ALA 29 OK 48 51 95 100 4.3-7.4 ~10820=57, ~10753=56...(14) H LEU 22 - H LYS 31 far 0 99 0 - 7.2-18.6 H LEU 22 - H ALA 29 far 0 48 0 - 7.2-17.6 Violated in 0 structures by 0.00 A. Peak 6340 from nnoeabs.peaks (8.14, 8.14, 122.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 32 + H ILE 32 OK 100 100 - 100 Peak 6341 from nnoeabs.peaks (8.23, 8.14, 122.30 ppm; 5.58 A): 4 out of 5 assignments used, quality = 1.00: * H LYS 31 + H ILE 32 OK 100 100 100 100 2.2-3.1 4.7=100 H SER 33 + H ILE 32 OK 100 100 100 100 4.5-4.6 4.6=100 H ALA 29 + H ILE 32 OK 87 92 95 100 4.3-7.4 ~10820=57, ~10753=56...(14) H GLU 30 + H ILE 32 OK 60 60 100 99 3.3-4.9 4.0/10829=72...(10) H ARG 23 - H ILE 32 far 0 96 0 - 9.0-21.3 Violated in 0 structures by 0.00 A. Peak 6342 from nnoeabs.peaks (4.28, 8.14, 122.30 ppm; 2.50 A): 1 out of 8 assignments used, quality = 0.54: * HA LYS 31 + H ILE 32 OK 54 100 70 78 2.8-3.5 798=54, 3.0/809=23...(9) HA THR 25 - H ILE 32 far 0 93 0 - 5.4-16.5 HA LYS 19 - H ILE 32 far 0 97 0 - 7.2-20.5 HA LYS 26 - H ILE 32 far 0 99 0 - 7.4-13.7 HA ARG 23 - H ILE 32 far 0 98 0 - 7.5-18.7 HA LYS 36 - H ILE 32 far 0 100 0 - 8.4-10.7 HA LEU 22 - H ILE 32 far 0 98 0 - 8.9-21.9 HA ALA 16 - H ILE 32 far 0 100 0 - 9.8-26.0 Violated in 20 structures by 0.65 A. Peak 6343 from nnoeabs.peaks (1.74, 8.14, 122.30 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 31 + H ILE 32 OK 100 100 100 100 3.0-4.2 809=100, 3.0/6342=89...(15) HB2 LYS 26 - H ILE 32 far 0 99 0 - 5.4-13.7 HB2 ARG 23 - H ILE 32 far 0 96 0 - 7.8-20.2 HB2 LYS 24 - H ILE 32 far 0 100 0 - 8.0-19.4 HB2 LYS 19 - H ILE 32 far 0 99 0 - 8.1-19.6 Violated in 2 structures by 0.00 A. Peak 6344 from nnoeabs.peaks (1.81, 8.14, 122.30 ppm; 2.83 A): 1 out of 7 assignments used, quality = 0.99: HB ILE 32 + H ILE 32 OK 99 99 100 100 2.3-2.9 895=77, 2.1/6353=48...(25) ! HB3 LYS 31 - H ILE 32 far 0 100 0 - 4.2-4.6 HB3 LYS 26 - H ILE 32 far 0 99 0 - 4.9-12.0 HB3 ARG 23 - H ILE 32 far 0 97 0 - 6.4-20.2 HB2 LYS 36 - H ILE 32 far 0 100 0 - 6.4-8.8 HB3 LYS 19 - H ILE 32 far 0 100 0 - 7.2-18.7 HB3 LYS 24 - H ILE 32 far 0 100 0 - 8.7-20.6 Violated in 5 structures by 0.01 A. Peak 6345 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: HG13 ILE 32 + H ILE 32 OK 100 100 100 100 1.8-3.7 919=96, 1.8/6354=75...(26) ! HG2 LYS 31 - H ILE 32 far 5 100 5 - 4.0-6.0 HG2 LYS 26 - H ILE 32 far 5 98 5 - 3.7-13.4 QB ALA 34 - H ILE 32 far 0 76 0 - 6.5-8.6 HG3 LYS 36 - H ILE 32 far 0 71 0 - 6.8-10.4 HG3 LYS 19 - H ILE 32 far 0 100 0 - 7.8-20.8 HG3 LYS 24 - H ILE 32 far 0 100 0 - 9.6-22.0 Violated in 1 structures by 0.02 A. Peak 6346 from nnoeabs.peaks (1.39, 8.14, 122.30 ppm; 4.88 A): 3 out of 10 assignments used, quality = 0.99: QB ALA 29 + H ILE 32 OK 97 97 100 100 3.7-5.5 10790/6344=89...(12) * HG3 LYS 31 + H ILE 32 OK 70 100 70 100 2.3-5.9 3.8/6342=90, 3.0/809=84...(12) QB ALA 28 + H ILE 32 OK 37 99 40 92 4.7-7.1 10791/10829=58...(9) HG3 LYS 26 - H ILE 32 far 10 98 10 - 4.6-13.1 QB ALA 16 - H ILE 32 far 0 93 0 - 6.5-22.4 QB ALA 34 - H ILE 32 far 0 63 0 - 6.5-8.6 QB ALA 15 - H ILE 32 far 0 99 0 - 7.7-23.0 HG2 LYS 36 - H ILE 32 far 0 97 0 - 7.8-11.0 HG2 LYS 24 - H ILE 32 far 0 97 0 - 8.2-21.0 HG2 LYS 19 - H ILE 32 far 0 68 0 - 9.0-21.0 Violated in 1 structures by 0.00 A. Peak 6347 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 6.71 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 31 + H ILE 32 OK 100 100 100 100 2.6-6.9 3.5/809=99, 5.2/6342=97...(15) * HD2 LYS 31 + H ILE 32 OK 100 100 100 100 3.3-6.8 3.5/809=99, 5.2/6342=97...(16) HD2 LYS 26 + H ILE 32 OK 44 100 45 98 2.8-15.0 10833/6352=84...(13) HD3 LYS 26 + H ILE 32 OK 38 100 40 96 3.8-14.1 10767/6354=68...(12) HD2 LYS 36 - H ILE 32 poor 19 98 35 57 5.9-9.2 10855/4.6=47...(3) HD3 LYS 36 - H ILE 32 far 10 98 10 - 7.4-11.0 HD2 LYS 19 - H ILE 32 far 0 96 0 - 7.7-21.3 HD3 LYS 24 - H ILE 32 far 0 100 0 - 8.4-22.3 HD3 LYS 19 - H ILE 32 far 0 96 0 - 8.9-22.5 HD2 LYS 24 - H ILE 32 far 0 100 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 6348 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 6.71 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 31 + H ILE 32 OK 100 100 100 100 2.6-6.9 3.5/809=99, 5.2/6342=97...(15) HD2 LYS 31 + H ILE 32 OK 100 100 100 100 3.3-6.8 3.5/809=99, 5.2/6342=97...(16) HD2 LYS 26 + H ILE 32 OK 44 100 45 97 2.8-15.0 10833/6352=82...(13) HD3 LYS 26 + H ILE 32 OK 38 100 40 95 3.8-14.1 10767/6354=66...(12) HD2 LYS 36 - H ILE 32 poor 19 97 35 55 5.9-9.2 10855/4.6=46...(3) HD3 LYS 36 - H ILE 32 far 10 97 10 - 7.4-11.0 HD2 LYS 19 - H ILE 32 far 0 97 0 - 7.7-21.3 HD3 LYS 24 - H ILE 32 far 0 100 0 - 8.4-22.3 HD3 LYS 19 - H ILE 32 far 0 97 0 - 8.9-22.5 HD2 LYS 24 - H ILE 32 far 0 100 0 - 9.9-21.9 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 7 assignments used, quality = 1.00: * HB ILE 32 + H ILE 32 OK 100 100 100 100 2.3-2.9 895=77, 2.1/6353=48...(25) HB3 LYS 31 - H ILE 32 far 0 99 0 - 4.2-4.6 HB3 LYS 26 - H ILE 32 far 0 100 0 - 4.9-12.0 HB3 ARG 23 - H ILE 32 far 0 100 0 - 6.4-20.2 HB2 LYS 36 - H ILE 32 far 0 100 0 - 6.4-8.8 HB3 LYS 19 - H ILE 32 far 0 99 0 - 7.2-18.7 HB3 LYS 24 - H ILE 32 far 0 100 0 - 8.7-20.6 Violated in 5 structures by 0.01 A. Peak 6353 from nnoeabs.peaks (0.85, 8.14, 122.30 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 32 + H ILE 32 OK 100 100 100 100 3.6-3.9 903=85, 2.1/6352=75...(20) QD2 LEU 22 - H ILE 32 far 0 95 0 - 5.7-19.8 Violated in 20 structures by 0.48 A. Peak 6354 from nnoeabs.peaks (1.16, 8.14, 122.30 ppm; 3.08 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + H ILE 32 OK 100 100 100 100 2.4-3.3 911=76, 1.8/6345=63...(26) QG2 THR 18 - H ILE 32 far 0 98 0 - 6.2-20.6 QG2 THR 25 - H ILE 32 far 0 71 0 - 7.3-14.4 QB ALA 41 - H ILE 32 far 0 99 0 - 9.2-13.1 Violated in 6 structures by 0.03 A. Peak 6355 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + H ILE 32 OK 100 100 100 100 1.8-3.7 919=97, 1.8/6354=75...(26) HG2 LYS 31 - H ILE 32 far 5 100 5 - 4.0-6.0 HG2 LYS 26 - H ILE 32 far 5 99 5 - 3.7-13.4 QB ALA 34 - H ILE 32 far 0 83 0 - 6.5-8.6 HG3 LYS 36 - H ILE 32 far 0 63 0 - 6.8-10.4 HG3 LYS 19 - H ILE 32 far 0 100 0 - 7.8-20.8 HG3 LYS 24 - H ILE 32 far 0 99 0 - 9.6-22.0 Violated in 1 structures by 0.02 A. Peak 6356 from nnoeabs.peaks (0.78, 8.14, 122.30 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + H ILE 32 OK 100 100 100 100 3.5-4.1 2.1/6354=82, 2.1/6345=78...(24) QD1 ILE 37 - H ILE 32 far 0 100 0 - 7.2-8.4 Violated in 11 structures by 0.11 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 2.2-3.1 4.7=100 * H SER 33 + H ILE 32 OK 100 100 100 100 4.5-4.6 4.6=100 H ALA 29 + H ILE 32 OK 86 90 95 100 4.3-7.4 ~10820=57, ~10753=56...(14) H ARG 23 - H ILE 32 far 0 95 0 - 9.0-21.3 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 4 assignments used, quality = 1.00: * H ILE 32 + H SER 33 OK 100 100 100 100 4.5-4.6 4.6=100 H LEU 22 - H SER 33 far 0 99 0 - 8.1-22.5 H ASP 71 - H SER 33 far 0 100 0 - 8.9-15.3 H ALA 15 - H SER 33 far 0 100 0 - 9.0-30.1 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 1 assignment used, quality = 0.98: * HA ILE 32 + H SER 33 OK 98 100 100 98 2.3-2.5 894=80, 3.0/6361=32...(18) Violated in 0 structures by 0.00 A. Peak 6361 from nnoeabs.peaks (1.82, 8.23, 119.56 ppm; 3.00 A): 1 out of 7 assignments used, quality = 0.94: * HB ILE 32 + H SER 33 OK 94 100 95 99 3.2-4.0 902=63, 2.1/6362=57...(18) HB2 LYS 36 - H SER 33 far 10 100 10 - 2.4-5.9 HB3 LYS 26 - H SER 33 far 0 100 0 - 4.0-15.3 HB3 LYS 19 - H SER 33 far 0 99 0 - 5.8-19.5 HB3 LYS 31 - H SER 33 far 0 99 0 - 7.0-8.1 HB3 LYS 24 - H SER 33 far 0 100 0 - 8.8-23.1 HB3 ARG 23 - H SER 33 far 0 100 0 - 9.4-21.9 Violated in 20 structures by 0.44 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 1.7-1.9 910=92, 2.1/6361=68...(22) QD2 LEU 22 - H SER 33 far 0 95 0 - 6.3-22.3 Violated in 0 structures by 0.00 A. Peak 6363 from nnoeabs.peaks (1.16, 8.23, 119.56 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + H SER 33 OK 100 100 100 100 4.2-4.6 891/6360=83, 2.9/6361=81...(16) QG2 THR 25 - H SER 33 far 0 71 0 - 5.8-16.4 QG2 THR 18 - H SER 33 far 0 98 0 - 6.0-20.4 QB ALA 41 - H SER 33 far 0 99 0 - 6.7-10.3 Violated in 20 structures by 0.33 A. Peak 6364 from nnoeabs.peaks (1.44, 8.23, 119.56 ppm; 3.64 A): 1 out of 7 assignments used, quality = 0.68: QB ALA 34 + H SER 33 OK 68 83 85 96 3.3-5.5 2.9/6369=66...(9) HG2 LYS 26 - H SER 33 far 10 99 10 - 2.2-17.4 HG3 LYS 36 - H SER 33 far 9 63 15 - 4.1-8.0 ! HG13 ILE 32 - H SER 33 far 5 100 5 - 3.3-5.1 HG2 LYS 31 - H SER 33 far 0 100 0 - 6.1-8.5 HG3 LYS 19 - H SER 33 far 0 100 0 - 7.4-21.6 HG3 LYS 24 - H SER 33 far 0 99 0 - 9.0-24.5 Violated in 3 structures by 0.26 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 3.9-4.6 928/6360=88, 930/6362=87...(18) QD1 ILE 37 + H SER 33 OK 96 100 100 96 3.5-4.9 10873/10868=52...(10) 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 2.8-2.9 3.0=100 HA ASP 71 - H SER 33 far 0 85 0 - 8.5-14.3 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 5 assignments used, quality = 0.99: * HB2 SER 33 + H SER 33 OK 99 100 100 99 2.5-3.3 1.8/945=67, 4.0=48...(12) HA2 GLY 14 - H SER 33 far 0 99 0 - 7.6-31.8 HA3 GLY 14 - H SER 33 far 0 99 0 - 7.6-32.1 HA3 GLY 75 - H SER 33 far 0 99 0 - 8.1-12.9 HA ALA 41 - H SER 33 far 0 100 0 - 9.8-14.7 Violated in 2 structures by 0.01 A. Peak 6368 from nnoeabs.peaks (3.85, 8.23, 119.56 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 33 + H SER 33 OK 100 100 100 100 3.3-3.9 945=100, 1.8/6367=72...(11) Violated in 20 structures by 0.28 A. Peak 6369 from nnoeabs.peaks (8.43, 8.23, 119.56 ppm; 3.10 A): 1 out of 1 assignment used, quality = 0.84: * H ALA 34 + H SER 33 OK 84 100 85 99 1.7-4.3 6371=66, 939/3.0=57...(12) Violated in 3 structures by 0.17 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 5 assignments used, quality = 1.00: * H SER 33 + H ALA 34 OK 100 100 100 100 1.7-4.3 6369=100, 3.0/939=71...(12) H LYS 31 - H ALA 34 far 0 100 0 - 7.9-10.4 H ALA 29 - H ALA 34 far 0 90 0 - 8.0-14.5 H ARG 23 - H ALA 34 far 0 95 0 - 9.0-27.8 H SER 107 - H ALA 12 far 0 83 0 - 9.8-52.6 Violated in 3 structures by 0.10 A. Peak 6372 from nnoeabs.peaks (4.40, 8.43, 125.99 ppm; 2.88 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 33 + H ALA 34 OK 100 100 100 100 2.7-3.5 939=100, 3.0/6369=42...(19) HA MET 11 + H ALA 12 OK 41 50 100 81 2.2-2.6 3.6=53, 3.0/146=24...(7) HA SER 9 - H ALA 12 far 0 83 0 - 7.8-9.8 HA ASP 71 - H ALA 34 far 0 85 0 - 8.8-13.6 HA ASP 71 - H ALA 12 far 0 64 0 - 8.9-43.5 Violated in 0 structures by 0.00 A. Peak 6373 from nnoeabs.peaks (3.91, 8.43, 125.99 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 33 + H ALA 34 OK 100 100 100 100 2.6-3.6 944=100, 1.8/949=75...(14) HA3 GLY 14 - H ALA 12 far 0 80 0 - 5.4-8.4 HA2 GLY 14 - H ALA 12 far 0 81 0 - 5.9-8.1 HA3 GLY 75 - H ALA 34 far 0 99 0 - 6.2-11.2 HA3 GLY 14 - H ALA 34 far 0 99 0 - 7.2-34.5 HA2 GLY 14 - H ALA 34 far 0 99 0 - 7.5-34.4 Violated in 1 structures by 0.00 A. Peak 6374 from nnoeabs.peaks (3.85, 8.43, 125.99 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 33 + H ALA 34 OK 100 100 100 100 1.9-3.7 949=100, 1.8/944=89...(17) 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 8 assignments used, quality = 1.00: * HA ALA 34 + H ALA 34 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 29 - H ALA 34 far 0 100 0 - 6.1-12.1 HB THR 25 - H ALA 34 far 0 76 0 - 6.4-22.2 HB3 SER 38 - H ALA 34 far 0 100 0 - 6.5-10.9 HA HIS 67 - H ALA 12 far 0 81 0 - 8.6-42.8 HA ALA 28 - H ALA 34 far 0 95 0 - 8.9-16.3 HA GLN 27 - H ALA 34 far 0 85 0 - 9.0-17.8 HA GLU 30 - H ALA 34 far 0 100 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 6376 from nnoeabs.peaks (1.42, 8.43, 125.99 ppm; 2.70 A): 1 out of 13 assignments used, quality = 0.98: * QB ALA 34 + H ALA 34 OK 98 100 100 98 2.0-2.4 954=95, 10861/949=19...(10) HG2 LYS 26 - H ALA 34 far 5 93 5 - 3.3-18.9 HG3 LYS 19 - H ALA 12 far 0 52 0 - 4.1-20.9 HG13 ILE 32 - H ALA 34 far 0 83 0 - 4.2-8.9 QB ALA 16 - H ALA 34 far 0 93 0 - 5.6-24.8 HG3 LYS 19 - H ALA 34 far 0 71 0 - 6.4-24.3 HG3 LYS 31 - H ALA 34 far 0 63 0 - 7.0-11.2 QB ALA 16 - H ALA 12 far 0 73 0 - 7.3-12.3 HG2 LYS 31 - H ALA 34 far 0 76 0 - 7.7-11.0 HG3 LYS 24 - H ALA 12 far 0 48 0 - 8.9-29.5 HG3 LYS 24 - H ALA 34 far 0 65 0 - 9.1-28.8 HG3 LYS 31 - H ALA 12 far 0 45 0 - 9.6-35.2 HG2 LYS 26 - H ALA 12 far 0 73 0 - 9.7-34.8 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 10 assignments used, quality = 1.00: * H ASP 35 + H ALA 34 OK 100 100 100 100 2.2-2.8 4.6=100 H MET 11 + H ALA 12 OK 48 48 100 100 4.5-4.6 4.6=100 H GLY 14 - H ALA 12 poor 16 62 25 - 3.8-7.3 H LYS 26 - H ALA 34 far 5 90 5 - 5.6-21.1 H GLN 27 - H ALA 34 far 0 100 0 - 7.1-17.6 H LYS 24 - H ALA 12 far 0 68 0 - 9.3-28.3 H LYS 26 - H ALA 12 far 0 70 0 - 9.4-33.7 H GLY 14 - H ALA 34 far 0 83 0 - 9.6-34.0 H LYS 24 - H ALA 34 far 0 89 0 - 9.9-25.9 H SER 74 - H ALA 34 far 0 81 0 - 9.9-13.7 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 2.2-2.8 4.6=100 Violated in 0 structures by 0.00 A. Peak 6380 from nnoeabs.peaks (4.22, 8.38, 118.19 ppm; 2.98 A): 1 out of 11 assignments used, quality = 0.96: * HA ALA 34 + H ASP 35 OK 96 100 100 96 3.2-3.5 2.1/6381=65, 953=61...(9) HB3 SER 38 - H ASP 35 far 0 100 0 - 4.9-9.4 HB THR 25 - H ASP 35 far 0 76 0 - 5.1-22.2 HA ALA 29 - H ASP 35 far 0 100 0 - 5.2-12.7 HA HIS 67 - H THR 65 far 0 96 0 - 6.4-7.1 HB THR 25 - H THR 65 far 0 71 0 - 6.6-35.9 HA GLU 30 - H ASP 35 far 0 100 0 - 8.3-11.8 HA ALA 28 - H THR 65 far 0 90 0 - 8.3-28.8 HA ALA 28 - H ASP 35 far 0 95 0 - 9.1-16.7 HA GLN 27 - H ASP 35 far 0 85 0 - 9.4-17.8 HA ALA 29 - H THR 65 far 0 97 0 - 9.5-25.8 Violated in 20 structures by 0.48 A. Peak 6381 from nnoeabs.peaks (1.42, 8.38, 118.19 ppm; 2.84 A): 1 out of 9 assignments used, quality = 0.93: * QB ALA 34 + H ASP 35 OK 93 100 100 93 2.6-3.4 2.1/6380=56, 957=49...(11) QB ALA 16 - H ASP 35 far 0 93 0 - 5.0-26.3 HG2 LYS 26 - H ASP 35 far 0 93 0 - 5.3-18.5 HG13 ILE 32 - H ASP 35 far 0 83 0 - 5.3-9.7 HG3 LYS 19 - H ASP 35 far 0 71 0 - 7.1-25.2 HG3 LYS 31 - H ASP 35 far 0 63 0 - 8.2-11.3 HG2 LYS 31 - H ASP 35 far 0 76 0 - 8.7-11.2 HG LEU 96 - H THR 65 far 0 76 0 - 9.9-12.0 HG2 LYS 26 - H THR 65 far 0 89 0 - 10.0-36.5 Violated in 11 structures by 0.08 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 2.9-2.9 3.0=100 HA SER 38 - H ASP 35 far 0 89 0 - 7.2-9.5 HA TYR 72 - H ASP 35 far 0 63 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 6383 from nnoeabs.peaks (2.67, 8.38, 118.19 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.86: * HB2 ASP 35 + H ASP 35 OK 86 100 100 86 2.1-3.1 963=53, 6389/6385=36...(5) Violated in 14 structures by 0.04 A. Peak 6384 from nnoeabs.peaks (2.75, 8.38, 118.19 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 35 + H ASP 35 OK 98 100 100 98 2.2-3.6 1.8/6383=80, 961/3.0=60...(8) HB2 ASP 64 + H THR 65 OK 89 98 100 91 2.4-4.2 1.8/2058=49, 2052=44...(9) HB2 TYR 76 - H ASP 35 far 0 98 0 - 9.1-13.3 HB3 ASP 78 - H ASP 35 far 0 96 0 - 9.9-17.0 Violated in 1 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 = 0.99: * H LYS 36 + H ASP 35 OK 99 100 100 99 2.4-2.5 6387=87, 6388/3.0=47...(11) H ILE 37 - H ASP 35 far 0 60 0 - 4.1-4.5 H SER 38 - H ASP 35 far 0 93 0 - 4.9-8.9 H SER 51 - H THR 65 far 0 91 0 - 9.9-10.9 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 2 assignments used, quality = 1.00: * H ASP 35 + H LYS 36 OK 100 100 100 100 2.4-2.5 6385=100, 3.0/6388=52...(11) H LYS 26 - H LYS 36 far 0 90 0 - 9.5-19.0 Violated in 0 structures by 0.00 A. Peak 6388 from nnoeabs.peaks (4.52, 8.00, 120.91 ppm; 3.10 A): 1 out of 3 assignments used, quality = 0.99: * HA ASP 35 + H LYS 36 OK 99 100 100 99 3.3-3.3 962=83, 3.0/6385=50...(14) HA SER 38 - H LYS 36 far 0 89 0 - 6.3-7.5 HA TYR 72 - H LYS 36 far 0 63 0 - 7.3-8.7 Violated in 20 structures by 0.19 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 3.6-4.2 967=74, 1.8/6390=71...(5) Violated in 6 structures by 0.03 A. Peak 6390 from nnoeabs.peaks (2.75, 8.00, 120.91 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 35 + H LYS 36 OK 99 100 100 99 3.6-4.4 1.8/6389=78, 972=73...(7) HB2 TYR 76 - H LYS 36 far 0 98 0 - 8.0-11.8 Violated in 15 structures by 0.06 A. Peak 6391 from nnoeabs.peaks (4.27, 8.00, 120.91 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 36 + H LYS 36 OK 100 100 100 100 2.9-2.9 3.0=100 HA LYS 19 - H LYS 36 far 0 99 0 - 8.1-25.5 HA LYS 31 - H LYS 36 far 0 100 0 - 8.7-10.4 HA ARG 23 - H LYS 36 far 0 97 0 - 8.8-23.4 HA THR 25 - H LYS 36 far 0 90 0 - 8.9-21.2 HA ALA 16 - H LYS 36 far 0 100 0 - 9.2-32.2 Violated in 0 structures by 0.00 A. Peak 6392 from nnoeabs.peaks (1.82, 8.00, 120.91 ppm; 3.07 A): 1 out of 5 assignments used, quality = 0.98: * HB2 LYS 36 + H LYS 36 OK 98 100 100 98 2.2-3.1 1.8/6393=65, 3.9=47...(28) HB ILE 32 - H LYS 36 far 0 100 0 - 5.0-7.8 HB3 LYS 19 - H LYS 36 far 0 100 0 - 7.2-24.1 HB2 CYS 79 - H LYS 36 far 0 78 0 - 7.9-11.9 HB3 LYS 26 - H LYS 36 far 0 100 0 - 8.8-18.3 Violated in 1 structures by 0.00 A. Peak 6393 from nnoeabs.peaks (1.88, 8.00, 120.91 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LYS 36 + H LYS 36 OK 99 100 100 99 3.3-3.7 1.8/6392=72, 3.9=52...(27) HB2 GLU 40 - H LYS 36 far 0 92 0 - 8.8-13.6 Violated in 20 structures by 0.28 A. Peak 6394 from nnoeabs.peaks (1.38, 8.00, 120.91 ppm; 3.65 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 36 + H LYS 36 OK 100 100 100 100 2.2-4.3 3.0/6392=66, 3.0/6393=64...(42) QB ALA 29 - H LYS 36 far 0 100 0 - 5.1-10.3 QB ALA 16 - H LYS 36 far 0 73 0 - 6.6-27.7 HG3 LYS 26 - H LYS 36 far 0 100 0 - 8.1-19.7 HB2 LEU 42 - H LYS 36 far 0 100 0 - 9.3-12.1 HG3 LYS 31 - H LYS 36 far 0 97 0 - 9.5-12.2 QB ALA 28 - H LYS 36 far 0 100 0 - 9.5-13.4 Violated in 19 structures by 0.37 A. Peak 6395 from nnoeabs.peaks (1.47, 8.00, 120.91 ppm; 3.60 A): 0 out of 4 assignments used, quality = 0.00: ! HG3 LYS 36 - H LYS 36 far 10 100 10 - 3.0-4.7 HG13 ILE 32 - H LYS 36 far 0 63 0 - 7.3-9.5 HG2 LYS 31 - H LYS 36 far 0 71 0 - 8.3-12.5 HG3 LYS 19 - H LYS 36 far 0 76 0 - 9.0-26.1 Violated in 18 structures by 0.88 A. Peak 6396 from nnoeabs.peaks (1.67, 8.00, 120.91 ppm; 4.61 A): 2 out of 8 assignments used, quality = 1.00: HD3 LYS 36 + H LYS 36 OK 100 100 100 100 1.9-4.4 3.5/6392=82, 3.0/6394=81...(68) * HD2 LYS 36 + H LYS 36 OK 100 100 100 100 2.9-4.7 3.5/6392=82, 3.0/6394=81...(67) HD3 LYS 26 - H LYS 36 far 0 96 0 - 6.4-20.3 HD2 LYS 26 - H LYS 36 far 0 97 0 - 7.9-20.9 HD2 LYS 31 - H LYS 36 far 0 98 0 - 7.9-13.4 HD3 LYS 31 - H LYS 36 far 0 97 0 - 8.3-13.7 HD3 LYS 24 - H LYS 36 far 0 97 0 - 9.9-27.5 HD2 LYS 19 - H LYS 36 far 0 81 0 - 10.0-27.2 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 8 assignments used, quality = 1.00: * HD3 LYS 36 + H LYS 36 OK 100 100 100 100 1.9-4.4 3.5/6392=82, 3.0/6394=81...(68) HD2 LYS 36 + H LYS 36 OK 100 100 100 100 2.9-4.7 3.5/6392=82, 3.0/6394=81...(67) HD3 LYS 26 - H LYS 36 far 0 96 0 - 6.4-20.3 HD2 LYS 26 - H LYS 36 far 0 97 0 - 7.9-20.9 HD2 LYS 31 - H LYS 36 far 0 98 0 - 7.9-13.4 HD3 LYS 31 - H LYS 36 far 0 97 0 - 8.3-13.7 HD3 LYS 24 - H LYS 36 far 0 97 0 - 9.9-27.5 HD2 LYS 19 - H LYS 36 far 0 81 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 6400 from nnoeabs.peaks (7.97, 8.00, 120.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: H LYS 36 + H LYS 36 OK 60 60 - 100 Reference assignment not found: H ILE 37 - H LYS 36 Peak 6401 from nnoeabs.peaks (7.97, 7.97, 121.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + H ILE 37 OK 100 100 - 100 Peak 6402 from nnoeabs.peaks (8.00, 7.97, 121.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: H ILE 37 + H ILE 37 OK 60 60 - 100 Reference assignment not found: H LYS 36 - H ILE 37 Peak 6403 from nnoeabs.peaks (4.27, 7.97, 121.77 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.95: * HA LYS 36 + H ILE 37 OK 95 100 100 95 3.4-3.6 3.6=61, 3.0/6405=40...(10) HA LYS 19 - H ILE 37 far 0 99 0 - 8.9-25.9 Violated in 20 structures by 0.53 A. Peak 6404 from nnoeabs.peaks (1.82, 7.97, 121.77 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 36 + H ILE 37 OK 100 100 100 100 2.5-3.8 1.8/6405=80, 3.0/6403=69...(15) HB ILE 32 - H ILE 37 far 0 100 0 - 7.1-8.2 HB2 CYS 79 - H ILE 37 far 0 78 0 - 7.1-10.2 HB3 LYS 19 - H ILE 37 far 0 100 0 - 7.6-24.8 HB3 LYS 26 - H ILE 37 far 0 100 0 - 9.7-20.5 Violated in 1 structures by 0.00 A. Peak 6405 from nnoeabs.peaks (1.88, 7.97, 121.77 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 36 + H ILE 37 OK 100 100 100 100 3.9-4.3 1.8/6404=66, 3.0/6403=62...(12) HB2 GLU 40 - H ILE 37 far 0 92 0 - 8.7-11.8 Violated in 20 structures by 0.51 A. Peak 6406 from nnoeabs.peaks (1.38, 7.97, 121.77 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 36 + H ILE 37 OK 100 100 100 100 2.8-4.1 3.0/6405=70, 1.8/6407=69...(15) QB ALA 29 - H ILE 37 far 0 100 0 - 6.8-11.7 QB ALA 16 - H ILE 37 far 0 73 0 - 7.7-28.6 HB2 LEU 42 - H ILE 37 far 0 100 0 - 7.7-9.9 HG3 LYS 26 - H ILE 37 far 0 100 0 - 9.2-21.8 Violated in 1 structures by 0.00 A. Peak 6407 from nnoeabs.peaks (1.47, 7.97, 121.77 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 36 + H ILE 37 OK 100 100 100 100 2.4-4.4 1.8/6406=83, 3.0/6405=76...(12) HG LEU 42 - H ILE 37 far 0 83 0 - 8.4-10.8 HG13 ILE 32 - H ILE 37 far 0 63 0 - 8.6-10.3 HG3 LYS 19 - H ILE 37 far 0 76 0 - 9.1-26.7 HG2 LYS 31 - H ILE 37 far 0 71 0 - 9.5-14.1 Violated in 2 structures by 0.01 A. Peak 6408 from nnoeabs.peaks (1.67, 7.97, 121.77 ppm; 4.85 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 36 + H ILE 37 OK 100 100 100 100 1.9-3.9 3.5/6405=80, 3.0/6406=79...(16) * HD2 LYS 36 + H ILE 37 OK 100 100 100 100 2.0-4.2 3.5/6405=80, 3.0/6406=79...(15) HD3 LYS 26 - H ILE 37 far 0 96 0 - 7.3-22.5 HD2 LYS 26 - H ILE 37 far 0 97 0 - 8.4-23.1 HD2 LYS 31 - H ILE 37 far 0 98 0 - 9.2-15.1 HD2 LYS 19 - H ILE 37 far 0 81 0 - 9.9-28.0 HG LEU 43 - H ILE 37 far 0 65 0 - 9.9-12.1 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 7 assignments used, quality = 1.00: * HD3 LYS 36 + H ILE 37 OK 100 100 100 100 1.9-3.9 3.5/6405=80, 3.0/6406=79...(16) HD2 LYS 36 + H ILE 37 OK 100 100 100 100 2.0-4.2 3.5/6405=80, 3.0/6406=79...(15) HD3 LYS 26 - H ILE 37 far 0 96 0 - 7.3-22.5 HD2 LYS 26 - H ILE 37 far 0 97 0 - 8.4-23.1 HD2 LYS 31 - H ILE 37 far 0 98 0 - 9.2-15.1 HD2 LYS 19 - H ILE 37 far 0 81 0 - 9.9-28.0 HG LEU 43 - H ILE 37 far 0 65 0 - 9.9-12.1 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 2.6-2.9 2.9=100 HB2 SER 38 - H ILE 37 far 0 99 0 - 5.3-7.1 HA GLN 68 - H ILE 37 far 0 65 0 - 9.2-11.5 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 3.1-3.5 2.1/6414=51, 3.8=45...(23) Violated in 20 structures by 0.36 A. Peak 6414 from nnoeabs.peaks (0.94, 7.97, 121.77 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 37 + H ILE 37 OK 100 100 100 100 3.2-3.6 2.1/6413=75, 1089/2.9=61...(24) QG1 VAL 20 - H ILE 37 far 0 63 0 - 7.7-22.3 Violated in 10 structures by 0.06 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 1.5-1.8 1.8/6416=72, 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; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + H ILE 37 OK 100 100 100 100 3.1-3.3 1.8/6415=69, 2.1/6417=58...(19) HB3 LEU 42 - H ILE 37 far 0 89 0 - 6.2-8.3 Violated in 2 structures by 0.00 A. Peak 6417 from nnoeabs.peaks (0.78, 7.97, 121.77 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 37 + H ILE 37 OK 100 100 100 100 1.8-2.4 2.1/6416=74, 2.1/6415=73...(25) QD1 ILE 32 - H ILE 37 far 0 100 0 - 6.5-8.5 QD2 LEU 43 - H ILE 37 far 0 73 0 - 9.4-12.1 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 5 assignments used, quality = 1.00: * HA ILE 37 + H SER 38 OK 100 100 100 100 2.1-3.5 3.6=87, 1089/6423=50...(17) HB2 SER 38 + H SER 38 OK 92 99 100 93 2.8-4.0 3.9=64, 1.8/6429=61...(5) HD3 PRO 81 - H SER 38 far 0 89 0 - 8.9-12.4 HA GLU 44 - H SER 38 far 0 63 0 - 9.4-11.5 HA GLN 68 - H SER 38 far 0 65 0 - 9.9-11.7 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 2.9-4.0 2.1/6423=72, 4.5=61...(22) Violated in 4 structures by 0.03 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 2.4-4.2 4.2=66, 2.1/6422=64...(25) Violated in 3 structures by 0.07 A. Peak 6424 from nnoeabs.peaks (1.28, 7.98, 119.00 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + H SER 38 OK 100 100 100 100 2.0-5.2 2.1/6426=82...(18) HB3 LEU 43 - H SER 38 far 0 99 0 - 7.2-11.5 Violated in 17 structures by 0.33 A. Peak 6425 from nnoeabs.peaks (1.56, 7.98, 119.00 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.98: * HG13 ILE 37 + H SER 38 OK 95 100 95 100 3.3-5.8 2.1/6426=87, 2.9/6422=85...(17) HB3 LEU 42 + H SER 38 OK 55 89 100 62 3.5-5.8 1093/6423=31...(6) 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 3 assignments used, quality = 1.00: * QD1 ILE 37 + H SER 38 OK 100 100 100 100 3.7-4.7 1094/6423=79...(22) QD2 LEU 43 - H SER 38 far 0 73 0 - 6.6-8.9 QD1 ILE 32 - H SER 38 far 0 100 0 - 7.9-12.3 Violated in 15 structures by 0.16 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 2.6-2.9 3.0=100 HA ASP 35 - H SER 38 far 13 89 15 - 3.9-8.4 HA TYR 72 - H SER 38 far 0 97 0 - 5.3-7.5 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 4 assignments used, quality = 1.00: HA ILE 37 + H SER 38 OK 99 99 100 100 2.1-3.5 3.6=91, 1089/6423=51...(17) * HB2 SER 38 + H SER 38 OK 94 100 100 94 2.8-4.0 3.9=67, 1.8/6429=63...(5) HD3 PRO 81 - H SER 38 far 0 76 0 - 8.9-12.4 HA GLN 68 - H SER 38 far 0 81 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 6429 from nnoeabs.peaks (4.22, 7.98, 119.00 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.98: * HB3 SER 38 + H SER 38 OK 98 100 100 98 2.1-3.7 1130=88, 1.8/6421=40...(6) HA ALA 34 - H SER 38 far 5 100 5 - 3.6-7.5 Violated in 0 structures by 0.00 A. Peak 6430 from nnoeabs.peaks (8.69, 7.98, 119.00 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 39 + H SER 38 OK 98 100 100 98 4.3-4.6 6432=87, 1134/6429=54...(5) Violated in 20 structures by 0.10 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 = 1.00: * H SER 38 + H LYS 39 OK 100 100 100 100 4.3-4.6 6430=100, 6429/1134=59...(5) H ILE 37 - H LYS 39 far 0 92 0 - 6.7-8.2 H LYS 36 - H LYS 39 far 0 93 0 - 8.1-9.8 Violated in 3 structures by 0.02 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 2.3-2.7 3.6=100 HA ASP 35 - H LYS 39 far 0 89 0 - 7.0-10.5 HA TYR 72 - H LYS 39 far 0 97 0 - 8.5-10.3 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 2.0-4.0 4.6=100 HD3 PRO 81 - H LYS 39 far 0 76 0 - 6.0-9.7 HA ILE 37 - H LYS 39 far 0 99 0 - 6.2-6.5 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 3.5-4.2 1134=100, 1.8/1129=82...(9) HA ALA 34 - H LYS 39 far 0 100 0 - 7.8-11.1 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 2.7-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 6437 from nnoeabs.peaks (1.76, 8.69, 124.20 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 100 100 2.2-3.2 3.9=100 HB ILE 80 - H LYS 39 far 0 73 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 6438 from nnoeabs.peaks (2.08, 8.69, 124.20 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-3.0 3.9=100 HG3 PRO 81 - H LYS 39 far 0 65 0 - 7.0-12.0 HB3 GLU 44 - H LYS 39 far 0 100 0 - 8.4-10.8 HG3 GLN 134 - H LYS 39 far 0 100 0 - 8.5-11.3 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 2 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 3.7-4.7 4.7=100 HG3 LYS 39 + H LYS 39 OK 78 78 100 100 4.2-4.5 4.7=100 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 4 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 4.2-4.5 4.7=100 QB ALA 41 + H LYS 39 OK 93 93 100 100 4.4-5.7 10864/3.6=77...(9) HG2 LYS 39 + H LYS 39 OK 78 78 100 100 3.7-4.7 4.7=100 QG2 VAL 77 - H LYS 39 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6441 from nnoeabs.peaks (1.68, 8.69, 124.20 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 100 100 100 100 4.1-5.9 5.5=100 HD3 LYS 36 - H LYS 39 far 0 99 0 - 8.6-10.4 HD2 LYS 36 - H LYS 39 far 0 99 0 - 9.2-11.9 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 4.6-5.6 5.5=100 HB2 LEU 43 - H LYS 39 poor 19 93 20 - 6.5-8.4 HB ILE 80 - H LYS 39 far 0 73 0 - 9.1-11.3 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 2.6-3.1 6448=100, 1159/3.9=48...(15) H LEU 43 - H LYS 39 far 0 99 0 - 5.8-6.4 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 1 assignment used, quality = 0.99: * H LYS 39 + H GLU 40 OK 99 100 100 99 2.6-3.1 6445=90, 3.9/1159=45...(15) Violated in 0 structures by 0.00 A. Peak 6449 from nnoeabs.peaks (3.40, 8.28, 116.30 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 39 + H GLU 40 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 HIS 67 - H SER 99 far 0 89 0 - 9.7-12.7 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 4 assignments used, quality = 0.99: * HB2 LYS 39 + H GLU 40 OK 98 100 100 98 2.1-3.7 1159=75, 3.9/6448=46...(12) HB3 LEU 98 + H SER 99 OK 59 59 100 99 2.1-3.7 4.6=63, 1.8/3166=52...(19) HG LEU 100 - H SER 99 far 4 75 5 - 4.8-7.0 HG13 ILE 129 - H SER 99 far 0 73 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (2.08, 8.28, 116.30 ppm; 4.42 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 39 + H GLU 40 OK 100 100 100 100 2.2-4.1 4.7=86, 1.8/1159=79...(12) HB2 GLU 102 + H SER 99 OK 39 88 45 99 4.4-6.7 3332/2.9=73, ~3207=46...(13) HB3 GLU 44 - H GLU 40 far 0 100 0 - 6.4-8.4 HB VAL 118 - H SER 99 far 0 63 0 - 7.4-8.4 HG3 GLN 134 - H GLU 40 far 0 100 0 - 7.5-10.8 HG3 PRO 81 - H GLU 40 far 0 65 0 - 7.9-14.2 HG2 PRO 117 - H SER 99 far 0 57 0 - 8.1-10.5 HB VAL 126 - H SER 99 far 0 54 0 - 8.7-10.6 HG3 PRO 117 - H SER 99 far 0 50 0 - 9.7-12.3 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 3.4-5.2 2.9/1159=88, 4.7/6448=70...(17) HG3 LYS 39 + H GLU 40 OK 78 78 100 100 3.1-4.9 2.9/1159=88, 4.7/6448=70...(19) HB3 LEU 62 - H SER 99 far 0 84 0 - 9.4-12.1 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 3.1-4.9 2.9/1159=68, 4.7/6448=50...(19) QB ALA 41 + H GLU 40 OK 93 93 100 100 4.1-4.7 3.0/6463=77...(15) HG2 LYS 39 + H GLU 40 OK 78 78 100 99 3.4-5.2 2.9/1159=68, 4.7/6448=50...(16) HB3 LEU 62 - H SER 99 far 0 81 0 - 9.4-12.1 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 8 assignments used, quality = 1.00: * HD2 LYS 39 + H GLU 40 OK 100 100 100 100 2.7-4.8 1203=79, 3.6/1159=64...(19) HB2 LEU 98 + H SER 99 OK 54 54 100 100 2.1-4.1 4.6=100 HD2 LYS 95 - H SER 99 far 0 59 0 - 6.6-9.0 HD3 LYS 95 - H SER 99 far 0 70 0 - 6.7-8.5 HD3 LYS 36 - H GLU 40 far 0 99 0 - 8.8-11.5 HD2 LYS 36 - H GLU 40 far 0 99 0 - 9.1-12.2 HB2 LEU 123 - H SER 99 far 0 50 0 - 9.3-11.6 HB2 LEU 69 - H SER 99 far 0 85 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 6455 from nnoeabs.peaks (1.71, 8.28, 116.30 ppm; 5.10 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + H GLU 40 OK 100 100 100 100 3.1-5.7 3.6/1159=72, 1.8/1203=70...(17) HG LEU 98 + H SER 99 OK 88 88 100 100 1.9-4.7 3176/3.8=78, 2.1/3191=64...(18) HB2 LEU 43 + H GLU 40 OK 79 93 85 100 4.6-6.4 3.2/10927=67...(18) HB3 LEU 70 - H SER 99 far 0 89 0 - 8.1-9.4 HB2 LEU 70 - H SER 99 far 0 89 0 - 9.3-10.5 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 2.7-2.8 2.8=100 HA VAL 118 - H SER 99 far 0 54 0 - 5.5-7.1 HD2 PRO 81 - H GLU 40 far 0 97 0 - 8.5-12.4 HB2 SER 130 - H GLU 40 far 0 83 0 - 8.7-10.9 HA LEU 123 - H SER 99 far 0 87 0 - 8.9-10.9 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 3 assignments used, quality = 1.00: * HB2 GLU 40 + H GLU 40 OK 100 100 100 100 2.7-3.6 1247=86, 1.8/6460=74...(10) HB3 LYS 36 - H GLU 40 far 0 92 0 - 8.1-11.8 HB3 LEU 123 - H SER 99 far 0 63 0 - 9.4-12.1 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 9 assignments used, quality = 1.00: * HB3 GLU 40 + H GLU 40 OK 100 100 100 100 2.3-3.6 4.0=77, 1.8/6459=72...(13) HB2 GLU 44 - H GLU 40 far 0 96 0 - 6.3-8.4 HB VAL 118 - H SER 99 far 0 66 0 - 7.4-8.4 HG3 PRO 81 - H GLU 40 far 0 90 0 - 7.9-14.2 HG2 PRO 117 - H SER 99 far 0 72 0 - 8.1-10.5 HB3 PRO 117 - H SER 99 far 0 52 0 - 8.3-10.9 HB2 GLN 134 - H GLU 40 far 0 92 0 - 8.4-11.0 QE MET 11 - H SER 99 far 0 88 0 - 9.2-47.6 HG3 PRO 117 - H SER 99 far 0 77 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 6461 from nnoeabs.peaks (2.31, 8.28, 116.30 ppm; 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 1.8/1268=79, 1262/2.8=73...(12) HB3 GLN 101 - H SER 99 far 0 78 0 - 5.1-7.1 HG2 GLU 44 - H GLU 40 far 0 76 0 - 5.6-7.9 HB3 GLN 134 - H GLU 40 far 0 92 0 - 7.7-10.7 Violated in 1 structures by 0.02 A. Peak 6462 from nnoeabs.peaks (2.39, 8.28, 116.30 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 40 + H GLU 40 OK 100 100 100 100 1.9-4.2 1268=100, 1.8/6461=77...(10) HG3 GLU 97 - H SER 99 poor 13 52 25 - 4.5-7.3 HG2 GLN 101 - H SER 99 far 7 45 15 - 4.4-6.2 HG2 GLN 104 - H SER 99 far 0 78 0 - 8.3-9.7 Violated in 1 structures by 0.00 A. Peak 6463 from nnoeabs.peaks (7.89, 8.28, 116.30 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.99: * H ALA 41 + H GLU 40 OK 99 100 100 99 2.6-3.0 4.6=56, 6471/6460=48...(14) H GLN 104 - H SER 99 far 0 88 0 - 7.8-8.8 H SER 106 - H SER 99 far 0 86 0 - 9.0-10.8 HD22 ASN 116 - H SER 99 far 0 57 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 6465 from nnoeabs.peaks (7.89, 7.89, 122.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + H ALA 41 OK 100 100 - 100 Peak 6466 from nnoeabs.peaks (8.69, 7.89, 122.33 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H ALA 41 OK 100 100 100 100 3.9-4.8 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 2.6-3.0 6463=100, 6460/6471=60...(14) H LEU 43 + H ALA 41 OK 82 99 100 83 4.0-4.7 6496=42, 10942/3.0=29...(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 - 8.7-11.3 HB3 SER 33 - H ALA 41 far 0 97 0 - 9.5-13.6 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 3.4-4.0 1.8/6471=78, 1253=74...(25) HB3 LYS 36 - H ALA 41 far 0 92 0 - 5.6-10.0 Violated in 1 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 2.3-4.0 1260=88, 1.8/6470=72...(25) HB2 GLU 44 - H ALA 41 far 14 96 15 - 4.5-6.5 HG3 PRO 81 - H ALA 41 far 0 90 0 - 9.9-15.9 Violated in 2 structures by 0.01 A. Peak 6472 from nnoeabs.peaks (2.31, 7.89, 122.33 ppm; 5.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 40 + H ALA 41 OK 100 100 100 100 1.9-4.6 1267=100, 3.0/6471=94...(23) HG2 GLU 44 + H ALA 41 OK 72 76 95 100 4.3-6.6 ~9064=64, 9065/2.9=63...(23) HG3 GLN 68 - H ALA 41 far 0 98 0 - 8.9-12.8 HB3 GLN 134 - H ALA 41 far 0 92 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 6473 from nnoeabs.peaks (2.39, 7.89, 122.33 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + H ALA 41 OK 100 100 100 100 1.9-5.0 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 2.8-2.9 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 3 assignments used, quality = 1.00: * QB ALA 41 + H ALA 41 OK 100 100 100 100 2.0-2.2 3.0=100 HG3 LYS 39 - H ALA 41 far 0 93 0 - 5.5-6.6 QG2 THR 25 - H ALA 41 far 0 89 0 - 9.3-24.2 Violated in 0 structures by 0.00 A. Peak 6476 from nnoeabs.peaks (7.49, 7.89, 122.33 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + H ALA 41 OK 100 100 100 100 2.5-3.0 3.5=100 H GLN 134 - H ALA 41 far 0 100 0 - 9.7-12.2 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 2.6-3.0 6463=99, 6460/6471=58...(14) * H LEU 43 + H ALA 41 OK 83 100 100 83 4.0-4.7 6496=42, 10942/3.0=29...(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 3.2-4.1 1146=76, 10870/1331=69...(13) 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 2.6-3.0 3.9=100 * H GLU 40 + H LEU 42 OK 98 100 100 98 4.0-4.5 6463/3.5=77, 3.6/6479=56...(10) H LEU 69 - H LEU 42 far 0 87 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (3.84, 7.49, 120.97 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 40 + H LEU 42 OK 100 100 100 100 3.9-4.9 6514/6516=86...(13) HB2 SER 130 + H LEU 42 OK 22 83 45 60 6.8-9.4 11805/9116=36, 6495/3.9=36 HB3 SER 33 - H LEU 42 far 0 97 0 - 9.0-13.7 HD2 PRO 81 - H LEU 42 far 0 97 0 - 9.6-13.1 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 2.5-3.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 6483 from nnoeabs.peaks (3.91, 7.49, 120.97 ppm; 5.60 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 41 + H LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 46 - H LEU 42 far 0 93 0 - 8.3-9.2 HA3 GLY 75 - H LEU 42 far 0 99 0 - 9.2-11.5 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 2.4-2.9 1285=100, 9066/2.8=37...(9) HG3 LYS 39 - H LEU 42 far 0 93 0 - 4.7-6.0 QG2 THR 25 - H LEU 42 far 0 89 0 - 9.4-25.1 Violated in 0 structures by 0.00 A. Peak 6485 from nnoeabs.peaks (3.48, 7.49, 120.97 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 100 100 2.7-2.9 2.8=100 HA VAL 77 - H LEU 42 far 0 63 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 6486 from nnoeabs.peaks (1.38, 7.49, 120.97 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 42 + H LEU 42 OK 100 100 100 100 2.4-2.8 4.0=94, 3.1/1331=51...(11) HG2 LYS 36 - H LEU 42 far 0 100 0 - 4.8-10.1 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 2.3-2.6 4.0=100 HG13 ILE 37 - H LEU 42 far 0 89 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 6488 from nnoeabs.peaks (1.49, 7.49, 120.97 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 42 + H LEU 42 OK 100 100 100 100 4.4-4.5 4.6=85, 2.1/1331=76...(10) HG3 LYS 36 - H LEU 42 far 0 83 0 - 6.3-9.8 HG LEU 69 - H LEU 42 far 0 63 0 - 7.0-9.8 Violated in 20 structures by 0.10 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 3.7-4.2 1323=100, 2.1/1331=79...(11) QD1 ILE 129 - H LEU 42 far 0 99 0 - 9.6-10.5 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 4.0-4.3 1331=100, 1332/2.8=83...(11) 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 2.6-3.0 3.9=100 H GLU 40 + H LEU 42 OK 95 99 100 96 4.0-4.5 6463/3.5=70, 3.6/6479=49...(10) H LEU 69 - H LEU 42 far 0 97 0 - 9.0-10.3 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 3.6-4.5 6516=100, 6515/3.6=77...(8) H TYR 72 - H LEU 42 far 0 97 0 - 7.3-8.6 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 3.3-4.4 10870/1338=83...(20) Violated in 0 structures by 0.00 A. Peak 6495 from nnoeabs.peaks (3.84, 8.29, 119.18 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 40 + H LEU 43 OK 100 100 100 100 3.4-4.4 9055/6509=64...(15) HB2 SER 130 + H LEU 43 OK 65 83 80 98 4.1-6.8 11805/6510=73...(10) HD2 PRO 81 - H LEU 43 far 0 97 0 - 9.0-13.1 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 4.0-4.7 3.6/6495=47...(7) 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 4.6-5.1 6515/3.9=97, 2.9/6496=91...(11) HA ALA 46 + H LEU 43 OK 93 93 100 100 7.0-7.6 2.1/9190=93, ~1348=90...(13) Violated in 0 structures by 0.00 A. Peak 6498 from nnoeabs.peaks (7.49, 8.29, 119.18 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + H LEU 43 OK 100 100 100 100 2.6-3.0 3.9=100 H GLN 134 - H LEU 43 far 0 100 0 - 6.9-8.8 HE22 GLN 127 - H LEU 43 far 0 98 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 6499 from nnoeabs.peaks (3.48, 8.29, 119.18 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H LEU 43 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 129 - H LEU 43 far 0 93 0 - 8.9-9.7 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 2.1-2.6 4.6=88, 1.8/6501=83...(15) HG2 LYS 36 - H LEU 43 far 0 100 0 - 7.7-12.9 Violated in 0 structures by 0.00 A. Peak 6501 from nnoeabs.peaks (1.54, 8.29, 119.18 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 43 OK 100 100 100 100 3.5-3.8 4.6=76, 1.8/6500=72...(14) HG LEU 49 - H LEU 43 far 0 63 0 - 9.4-12.2 HG13 ILE 37 - H LEU 43 far 0 89 0 - 9.5-11.1 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 4 assignments used, quality = 1.00: * HG LEU 42 + H LEU 43 OK 100 100 100 100 3.7-4.3 2.1/1338=92, 2.1/1330=77...(18) HG LEU 69 - H LEU 43 far 0 63 0 - 6.9-9.3 HG3 LYS 36 - H LEU 43 far 0 83 0 - 8.8-12.5 HB2 LEU 49 - H LEU 43 far 0 97 0 - 9.4-12.5 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 4.6-4.9 1330=100, 2.1/1338=91...(17) QD1 ILE 129 - H LEU 43 far 0 99 0 - 8.5-9.4 Violated in 11 structures by 0.03 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 2.9-3.7 1338=100, 1332/3.6=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): 2 out of 4 assignments used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 100 100 2.7-2.9 2.8=100 HA SER 130 + H LEU 43 OK 39 100 40 98 4.7-5.6 11747/6510=52...(17) HB3 SER 130 - H LEU 43 far 0 99 0 - 5.7-7.4 HA VAL 133 - H LEU 43 far 0 93 0 - 7.5-9.0 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 3 assignments used, quality = 1.00: * HB2 LEU 43 + H LEU 43 OK 100 100 100 100 2.3-3.6 3.9=93, 3.0/6508=61...(17) HD3 LYS 39 - H LEU 43 far 0 93 0 - 5.1-7.5 HG13 ILE 129 - H LEU 43 far 0 89 0 - 9.0-10.0 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 - 9.2-11.2 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 4 assignments used, quality = 1.00: * HG LEU 43 + H LEU 43 OK 100 100 100 100 1.9-2.7 2.1/6510=63, 2.1/6509=59...(17) HB2 LEU 69 - H LEU 43 far 0 68 0 - 6.4-10.1 HD3 LYS 36 - H LEU 43 far 0 65 0 - 9.0-11.8 HD2 LYS 36 - H LEU 43 far 0 65 0 - 9.2-13.1 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 3.3-3.8 2.1/6508=79, 2.1/6510=75...(25) Violated in 0 structures by 0.00 A. Peak 6510 from nnoeabs.peaks (0.75, 8.29, 119.18 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 2.2-3.9 2.1/6508=74, 2.1/6509=67...(24) QD1 ILE 37 - H LEU 43 far 0 73 0 - 8.2-9.3 QD2 LEU 96 - H LEU 43 far 0 99 0 - 8.8-9.5 HG12 ILE 129 - H LEU 43 far 0 100 0 - 9.3-10.6 QG1 VAL 93 - H LEU 43 far 0 100 0 - 9.8-11.2 QD1 ILE 32 - H LEU 43 far 0 78 0 - 9.8-17.3 QD1 LEU 96 - H LEU 43 far 0 89 0 - 10.0-11.0 Violated in 1 structures by 0.00 A. Peak 6511 from nnoeabs.peaks (8.33, 8.29, 119.18 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + H LEU 43 OK 100 100 100 100 2.6-3.0 3.9=100 H TYR 72 - H LEU 43 far 0 97 0 - 8.4-9.8 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 3.4-4.6 9055/1390=45...(11) HB2 SER 130 - H GLU 44 far 4 83 5 - 5.1-7.8 HB2 SER 50 - H GLU 44 far 0 100 0 - 9.6-12.0 Violated in 1 structures by 0.01 A. Peak 6515 from nnoeabs.peaks (3.91, 8.33, 119.61 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 41 + H GLU 44 OK 100 100 100 100 3.3-4.1 1409/6527=63, 1279=61...(13) HA ALA 46 - H GLU 44 far 0 93 0 - 6.7-7.1 HB3 SER 50 - H GLU 44 far 0 81 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 6516 from nnoeabs.peaks (7.49, 8.33, 119.61 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + H GLU 44 OK 100 100 100 100 3.6-4.5 6492=90, 3.6/6515=74...(8) H GLN 134 - H GLU 44 far 0 100 0 - 8.7-10.8 HE22 GLN 127 - H GLU 44 far 0 98 0 - 9.1-14.4 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 2.6-3.0 3.9=100 H GLU 40 + H GLU 44 OK 98 99 100 99 5.5-6.0 2.8/6514=91...(8) H LEU 49 - H GLU 44 far 0 92 0 - 7.8-9.0 H LEU 69 - H GLU 44 far 0 97 0 - 8.8-10.5 H ASP 131 - H GLU 44 far 0 89 0 - 9.1-10.5 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 4 assignments used, quality = 1.00: * HA LEU 43 + H GLU 44 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 130 - H GLU 44 far 0 99 0 - 6.5-8.3 HA SER 130 - H GLU 44 far 0 100 0 - 6.6-7.4 HA VAL 133 - H GLU 44 far 0 93 0 - 10.0-11.2 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 2.3-3.2 4.6=70, 3.0/6522=55...(14) HD3 LYS 39 - H GLU 44 far 0 93 0 - 6.5-9.4 HG LEU 48 - H GLU 44 far 0 93 0 - 7.7-9.2 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 2.4-4.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 6522 from nnoeabs.peaks (1.64, 8.33, 119.61 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 43 + H GLU 44 OK 99 100 100 99 3.6-4.6 2.1/1390=71, 3.0/6520=66...(10) HB2 LEU 69 - H GLU 44 far 0 68 0 - 6.7-10.3 HD3 LYS 36 - H GLU 44 far 0 65 0 - 9.1-12.4 HD2 LYS 36 - H GLU 44 far 0 65 0 - 9.7-13.0 Violated in 7 structures by 0.07 A. Peak 6523 from nnoeabs.peaks (0.70, 8.33, 119.61 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H GLU 44 OK 100 100 100 100 4.2-4.9 2.1/6522=87, 2.1/1390=87...(13) Violated in 0 structures by 0.00 A. Peak 6524 from nnoeabs.peaks (0.75, 8.33, 119.61 ppm; 4.45 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 43 + H GLU 44 OK 100 100 100 100 4.1-4.7 1390=100, 2.1/6522=77...(12) QD1 ILE 37 - H GLU 44 far 0 73 0 - 8.9-10.1 QD2 LEU 96 - H GLU 44 far 0 99 0 - 9.3-10.5 QD1 ILE 32 - H GLU 44 far 0 78 0 - 9.4-18.0 Violated in 10 structures by 0.08 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 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 6526 from nnoeabs.peaks (2.02, 8.33, 119.61 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 44 + H GLU 44 OK 100 100 100 100 2.1-3.6 1402=72, 1.8/6527=69...(17) HB3 GLU 40 - H GLU 44 far 0 96 0 - 4.6-6.3 HB ILE 129 - H GLU 44 far 0 81 0 - 8.4-9.9 HB2 GLN 134 - H GLU 44 far 0 100 0 - 9.0-11.4 Violated in 14 structures by 0.16 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 2.1-3.6 1410=78, 1.8/6526=72...(18) HB3 LYS 39 - H GLU 44 far 0 100 0 - 7.0-8.3 HG3 GLN 134 - H GLU 44 far 0 100 0 - 7.7-11.2 Violated in 6 structures by 0.05 A. Peak 6528 from nnoeabs.peaks (2.34, 8.33, 119.61 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 44 + H GLU 44 OK 100 100 100 100 2.5-3.6 1417=93, 1.8/1424=79...(18) HG2 GLU 40 - H GLU 44 far 0 76 0 - 5.3-7.1 HG3 GLN 68 - H GLU 44 far 0 93 0 - 7.6-10.6 HB3 GLN 134 - H GLU 44 far 0 99 0 - 8.0-10.6 HG2 GLN 127 - H GLU 44 far 0 89 0 - 9.9-12.1 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 3.0-3.5 1424=100, 1.8/6528=68...(18) 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 2.6-2.9 3.4=100 Violated in 0 structures by 0.00 A. Peak 6531 from nnoeabs.peaks (8.54, 8.33, 119.61 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.93: * H ALA 46 + H GLU 44 OK 93 100 100 93 3.9-4.4 3.1/9132=44, 6551=43...(10) Violated in 20 structures by 0.23 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 4 assignments used, quality = 1.00: * HA ALA 41 + H CYS 45 OK 100 100 100 100 3.5-4.9 6515/3.4=85...(13) HA ALA 46 + H CYS 45 OK 93 93 100 100 5.0-5.3 2.1/9152=92, 3.6/6547=72...(12) HB3 SER 50 - H CYS 45 far 0 81 0 - 8.2-10.8 HA LEU 70 - H CYS 45 far 0 63 0 - 9.6-11.5 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 3.5-4.1 1294=100, 3.6/6535=97...(10) Violated in 0 structures by 0.00 A. Peak 6535 from nnoeabs.peaks (8.29, 7.69, 120.85 ppm; 4.43 A): 1 out of 5 assignments used, quality = 0.88: * H LEU 43 + H CYS 45 OK 88 100 100 88 4.1-4.7 9190/9152=46...(11) H LEU 49 - H CYS 45 far 0 92 0 - 6.0-7.1 H LEU 69 - H CYS 45 far 0 97 0 - 6.4-8.1 H GLU 40 - H CYS 45 far 0 99 0 - 7.7-8.2 H ASP 131 - H CYS 45 far 0 89 0 - 9.9-11.4 Violated in 5 structures by 0.03 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 2.6-2.9 3.4=100 H TYR 72 - H CYS 45 far 0 97 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 6538 from nnoeabs.peaks (4.05, 7.69, 120.85 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + H CYS 45 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 37 - H CYS 45 far 0 63 0 - 7.4-8.9 HB THR 65 - H CYS 45 far 0 89 0 - 8.7-10.2 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 2.6-3.5 1408=82, 1.8/6540=74...(18) HB3 GLU 40 - H CYS 45 far 0 96 0 - 6.9-8.3 HB ILE 129 - H CYS 45 far 0 81 0 - 7.9-9.7 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 4 assignments used, quality = 1.00: * HB3 GLU 44 + H CYS 45 OK 100 100 100 100 2.5-3.7 1.8/6539=78, 4.7=70...(18) HB3 LYS 39 - H CYS 45 far 0 100 0 - 9.2-10.3 HB VAL 126 - H CYS 45 far 0 65 0 - 9.4-10.4 HG3 GLN 134 - H CYS 45 far 0 100 0 - 9.4-13.3 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 4 assignments used, quality = 1.00: * HG2 GLU 44 + H CYS 45 OK 100 100 100 100 4.6-5.1 1423=100, 3.0/6539=97...(15) HG3 GLN 68 + H CYS 45 OK 73 93 90 87 5.2-7.7 9549/9142=42, ~9158=25...(9) HG2 GLU 40 - H CYS 45 far 0 76 0 - 7.0-9.3 HG2 GLN 127 - H CYS 45 far 0 89 0 - 9.5-11.5 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 2.8-2.9 2.8=100 HA LEU 48 - H CYS 45 far 0 95 0 - 7.0-7.9 HA LEU 49 - H CYS 45 far 0 92 0 - 8.1-9.8 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 8 assignments used, quality = 1.00: * HB2 CYS 45 + H CYS 45 OK 100 100 100 100 2.2-2.7 3.5=100 HE3 LYS 36 - H CYS 45 far 0 85 0 - 6.6-11.5 HE2 LYS 36 - H CYS 45 far 0 92 0 - 6.9-11.8 HG CYS 73 - H CYS 45 far 0 99 0 - 7.1-13.3 HE2 LYS 39 - H CYS 45 far 0 97 0 - 7.2-11.6 HE3 LYS 39 - H CYS 45 far 0 92 0 - 7.9-12.1 HE3 LYS 26 - H CYS 45 far 0 71 0 - 8.9-34.4 HE2 LYS 26 - H CYS 45 far 0 71 0 - 9.1-33.8 Violated in 0 structures by 0.00 A. Peak 6545 from nnoeabs.peaks (3.13, 7.69, 120.85 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 45 + H CYS 45 OK 100 100 100 100 2.4-3.6 3.5=100 HB3 TYR 76 - H CYS 45 far 0 100 0 - 9.0-10.7 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 2.4-2.7 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 3.8-4.2 6564=76, 6563/3.6=72...(8) H LEU 70 - H CYS 45 far 0 99 0 - 8.2-10.1 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): 2 out of 6 assignments used, quality = 1.00: * HA LEU 43 + H ALA 46 OK 100 100 100 100 3.1-3.4 1348/3.1=76, 3.6/6531=71...(12) HB3 SER 130 + H ALA 46 OK 34 99 35 97 4.5-7.2 10508/3.1=71, ~11718=49...(9) HA SER 130 - H ALA 46 far 0 100 0 - 5.8-6.8 HB2 SER 99 - H HIS 5 far 0 68 0 - 8.2-67.0 HB2 SER 9 - H HIS 5 far 0 65 0 - 8.9-17.7 HB3 SER 9 - H HIS 5 far 0 63 0 - 9.8-18.3 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 2 assignments used, quality = 1.00: * H GLU 44 + H ALA 46 OK 100 100 100 100 3.9-4.4 6531=100, 9132/3.1=74...(10) H TYR 72 - H ALA 46 far 0 97 0 - 8.1-9.2 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 2.4-2.7 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 4 assignments used, quality = 1.00: * HA CYS 45 + H ALA 46 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 48 - H ALA 46 far 0 95 0 - 6.6-7.1 HA LEU 49 - H ALA 46 far 0 92 0 - 7.0-8.4 HA LEU 98 - H HIS 5 far 0 80 0 - 8.8-66.6 Violated in 0 structures by 0.00 A. Peak 6555 from nnoeabs.peaks (2.94, 8.54, 121.48 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.99: * HB2 CYS 45 + H ALA 46 OK 99 100 100 99 2.5-3.0 4.4=92, 11062/11083=54...(8) HG CYS 73 - H ALA 46 far 0 99 0 - 5.9-12.4 HE2 LYS 39 - H ALA 46 far 0 97 0 - 7.8-12.1 HE2 LYS 36 - H ALA 46 far 0 92 0 - 8.5-13.3 HE3 LYS 36 - H ALA 46 far 0 85 0 - 8.8-13.4 HE3 LYS 39 - H ALA 46 far 0 92 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 6556 from nnoeabs.peaks (3.13, 8.54, 121.48 ppm; 4.62 A): 2 out of 8 assignments used, quality = 1.00: * HB3 CYS 45 + H ALA 46 OK 100 100 100 100 3.3-3.9 4.4=100 HB2 HIS 4 + H HIS 5 OK 60 61 100 99 2.1-4.5 4.6=99 HB2 HIS 6 - H HIS 5 poor 19 63 30 - 4.2-7.5 HB3 HIS 3 - H HIS 5 lone 1 68 30 4 2.5-8.1 1.8/21=2, 26=1 HB2 HIS 7 - H HIS 5 far 0 74 0 - 5.6-10.4 HB2 HIS 8 - H HIS 5 far 0 92 0 - 7.3-13.6 HB3 HIS 7 - H HIS 5 far 0 68 0 - 7.4-11.1 HB3 TYR 76 - H ALA 46 far 0 100 0 - 9.0-10.5 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 6 assignments used, quality = 1.00: * HA ALA 46 + H ALA 46 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 41 - H ALA 46 far 0 93 0 - 5.9-7.3 HB3 SER 50 - H ALA 46 far 0 99 0 - 6.3-8.8 HA3 GLY 2 - H HIS 5 far 0 93 0 - 6.6-9.7 HA2 GLY 2 - H HIS 5 far 0 93 0 - 6.9-10.0 HA LEU 70 - H ALA 46 far 0 93 0 - 8.4-10.3 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 1 assignment used, quality = 1.00: * QB ALA 46 + H ALA 46 OK 100 100 100 100 2.0-2.2 3.1=100 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 2.3-2.7 4.3=100 H LEU 70 - H ALA 46 far 0 99 0 - 7.2-9.0 H VAL 132 - H ALA 46 far 0 92 0 - 10.0-10.9 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 3 assignments used, quality = 0.92: * H LEU 48 + H ALA 46 OK 92 100 100 92 3.9-4.4 6579/4.3=57, 1436/3.6=48...(6) H SER 130 - H ALA 46 far 0 97 0 - 5.9-7.2 H ALA 52 - H ALA 46 far 0 89 0 - 9.5-10.2 Violated in 4 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 3.7-4.5 1348/6568=95...(6) HB3 SER 130 + H ASP 47 OK 98 99 100 99 4.4-6.7 10508/6568=91...(8) HA SER 130 + H ASP 47 OK 62 100 65 95 6.2-7.6 11864/6568=73...(7) 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 3.3-3.9 1400/6571=63...(9) HB THR 65 - H ASP 47 far 0 89 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 6564 from nnoeabs.peaks (7.69, 8.46, 118.99 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + H ASP 47 OK 100 100 100 100 3.8-4.2 6547=100, 3.6/6563=82...(8) H LEU 53 - H ASP 47 far 0 65 0 - 9.2-10.2 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 4.0-4.5 2.8/6547=79...(9) HA LEU 48 + H ASP 47 OK 94 95 100 100 5.0-5.2 2.9/6579=97, 3.6/6573=75...(8) HA LEU 49 - H ASP 47 far 9 92 10 - 6.3-7.4 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 1 assignment used, quality = 1.00: * H ALA 46 + H ASP 47 OK 100 100 100 100 2.3-2.7 4.3=100 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 3 assignments used, quality = 1.00: * HA ALA 46 + H ASP 47 OK 100 100 100 100 3.4-3.5 3.6=100 HB3 SER 50 + H ASP 47 OK 89 99 90 99 4.4-6.8 1602/2.9=73, ~1469=62...(9) HA ALA 41 - H ASP 47 far 0 93 0 - 7.2-8.4 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 2.6-3.0 1462=97, 10954/6571=30...(20) 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 2.8-2.9 2.9=100 HA LEU 69 - H ASP 47 far 0 96 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 6570 from nnoeabs.peaks (2.72, 8.46, 118.99 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + H ASP 47 OK 100 100 100 100 2.3-3.5 1472=92, 1.8/6571=77...(5) Violated in 0 structures by 0.00 A. Peak 6571 from nnoeabs.peaks (2.84, 8.46, 118.99 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 47 + H ASP 47 OK 98 100 100 98 2.1-2.8 1478=79, 1.8/6570=68...(6) HB3 ASP 131 - H ASP 47 far 0 76 0 - 9.8-12.2 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 2.4-2.6 3.6=100 H SER 130 - H ASP 47 far 0 97 0 - 6.0-7.5 H ALA 52 - H ASP 47 far 0 89 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 6573 from nnoeabs.peaks (8.30, 8.46, 118.99 ppm; 4.70 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + H ASP 47 OK 100 100 100 100 3.5-4.7 6589/6579=75, 6594=74...(20) H LEU 43 - H ASP 47 far 0 92 0 - 5.8-6.4 H LEU 69 - H ASP 47 far 0 100 0 - 7.9-9.3 H VAL 126 - H ASP 47 far 0 96 0 - 9.0-10.0 H GLU 40 - H ASP 47 far 0 78 0 - 10.0-10.7 Violated in 3 structures by 0.00 A. Peak 6574 from nnoeabs.peaks (8.04, 8.04, 122.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 48 + H LEU 48 OK 100 100 - 100 Peak 6575 from nnoeabs.peaks (4.05, 8.04, 122.99 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.98: * HA GLU 44 + H LEU 48 OK 98 100 100 98 4.0-4.7 1400/6582=64...(7) HB THR 65 - H LEU 48 far 0 89 0 - 6.8-8.0 Violated in 6 structures by 0.03 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 3.3-3.9 1438/6585=44, 1436=43...(14) 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 - 5.1-5.6 HA ALA 52 - H LEU 48 far 0 97 0 - 8.5-9.4 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 1 assignment used, quality = 1.00: * H ALA 46 + H LEU 48 OK 100 100 100 100 3.9-4.4 6560=100, 4.3/6579=98...(6) 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 3 assignments used, quality = 1.00: * HA ALA 46 + H LEU 48 OK 100 100 100 100 4.1-4.8 3.6/6579=83, 2.9/6560=80...(12) HB3 SER 50 + H LEU 48 OK 91 99 95 97 4.5-6.8 1602/1467=66...(8) HA ALA 41 - H LEU 48 far 0 93 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 6579 from nnoeabs.peaks (8.46, 8.04, 122.99 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + H LEU 48 OK 100 100 100 100 2.4-2.6 3.6=95, 2.9/1467=58...(16) H LEU 70 - H LEU 48 far 0 99 0 - 9.7-11.9 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 3.5-3.6 3.6=100 HA LEU 69 - H LEU 48 far 0 96 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 6581 from nnoeabs.peaks (2.72, 8.04, 122.99 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + H LEU 48 OK 100 100 100 100 2.3-3.9 1476=78, 1.8/6582=74...(8) Violated in 1 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 = 1.00: * HB3 ASP 47 + H LEU 48 OK 100 100 100 100 2.7-3.5 1482=77, 1.8/6581=75...(8) 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 3.3-3.9 1438/6585=41...(14) HA LEU 49 - H LEU 48 far 0 100 0 - 5.1-5.6 HA ALA 52 - H LEU 48 far 0 76 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 6584 from nnoeabs.peaks (1.78, 8.04, 122.99 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 48 + H LEU 48 OK 100 100 100 100 2.1-3.2 1.8/6585=78, 3.9=71...(23) HB3 LEU 122 - H LEU 48 far 0 95 0 - 9.7-14.2 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 4 assignments used, quality = 0.99: * HB3 LEU 48 + H LEU 48 OK 99 100 100 99 2.0-3.5 1.8/6584=64, 3.9=58...(26) HB3 LEU 49 - H LEU 48 far 0 78 0 - 5.0-6.6 HB3 LEU 123 - H LEU 48 far 0 85 0 - 8.9-11.4 HB2 GLU 40 - H LEU 48 far 0 100 0 - 9.6-12.5 Violated in 2 structures by 0.02 A. Peak 6586 from nnoeabs.peaks (1.71, 8.04, 122.99 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.95: * HG LEU 48 + H LEU 48 OK 95 100 95 100 3.7-4.6 1512=90, 3.0/6585=61...(21) HB2 LEU 43 - H LEU 48 far 0 93 0 - 7.0-8.0 Violated in 20 structures by 0.33 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 4.0-4.4 2.1/6586=75, 3.1/6585=65...(25) QD1 LEU 48 + H LEU 48 OK 92 92 100 100 1.9-4.2 2.1/6586=75, 3.1/6585=66...(25) QD1 LEU 49 + H LEU 48 OK 53 100 60 89 3.5-6.2 4.7/6589=39...(16) QD2 LEU 123 - H LEU 48 far 0 73 0 - 5.9-10.2 QD1 LEU 123 - H LEU 48 far 0 85 0 - 7.1-9.4 QD1 LEU 62 - H LEU 48 far 0 100 0 - 9.4-12.0 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 1.9-4.2 2.1/6586=75, 3.1/6585=66...(26) QD2 LEU 48 + H LEU 48 OK 92 92 100 100 4.0-4.4 2.1/6586=75, 3.1/6585=65...(25) QD1 LEU 49 + H LEU 48 OK 51 97 60 89 3.5-6.2 4.7/6589=39...(16) QD1 LEU 123 - H LEU 48 far 0 100 0 - 7.1-9.4 QD1 LEU 62 - H LEU 48 far 0 97 0 - 9.4-12.0 QG1 VAL 57 - H LEU 48 far 0 71 0 - 9.5-10.7 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 = 0.99: * H LEU 49 + H LEU 48 OK 99 100 100 99 2.5-3.1 4.0=73, 6598/6584=40...(20) H LEU 69 - H LEU 48 far 0 100 0 - 7.7-9.9 H LEU 43 - H LEU 48 far 0 92 0 - 7.8-8.4 H VAL 126 - H LEU 48 far 0 96 0 - 9.5-11.2 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 4.0-4.4 3.2/6589=83...(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 CYS 45 + H LEU 49 OK 100 100 100 100 4.1-5.1 1437/6598=53...(14) HA LEU 48 + H LEU 49 OK 95 95 100 100 3.4-3.6 3.6=100 HA LEU 49 + H LEU 49 OK 92 92 100 100 2.7-2.9 2.9=100 HA ALA 52 - H LEU 49 far 0 97 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 6593 from nnoeabs.peaks (3.90, 8.30, 120.94 ppm; 4.44 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 46 + H LEU 49 OK 100 100 100 100 3.5-4.3 1455=73, 3.6/6573=53...(19) HB3 SER 50 + H LEU 49 OK 88 99 95 93 4.2-6.2 4.7/6610=45...(12) Violated in 0 structures by 0.00 A. Peak 6594 from nnoeabs.peaks (8.46, 8.30, 120.94 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + H LEU 49 OK 100 100 100 100 3.5-4.7 6573=100, 6579/6589=86...(20) H LEU 70 - H LEU 49 far 0 99 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 6596 from nnoeabs.peaks (8.04, 8.30, 120.94 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 48 + H LEU 49 OK 100 100 100 100 2.5-3.1 6589=100, 6584/6598=47...(20) H ALA 52 + H LEU 49 OK 35 89 40 99 4.6-5.1 3.1/6610=48, 2.9/9247=43...(30) H SER 130 - H LEU 49 far 0 97 0 - 8.3-10.2 H CYS 125 - H LEU 49 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 6597 from nnoeabs.peaks (4.11, 8.30, 120.94 ppm; 4.54 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 48 + H LEU 49 OK 100 100 100 100 3.4-3.6 3.6=100 HA LEU 49 + H LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 HA CYS 45 + H LEU 49 OK 94 95 100 99 4.1-5.1 1437/6598=49...(14) HA ALA 52 - H LEU 49 far 0 76 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 6598 from nnoeabs.peaks (1.78, 8.30, 120.94 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + H LEU 49 OK 100 100 100 100 2.1-3.9 4.6=72, 6584/6589=64...(37) HB3 LEU 122 - H LEU 49 far 0 95 0 - 7.0-11.8 HG LEU 100 - H LEU 49 far 0 100 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 6599 from nnoeabs.peaks (1.89, 8.30, 120.94 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 48 + H LEU 49 OK 100 100 100 100 2.1-4.4 1.8/6598=79, 4.6=76...(40) HB3 LEU 49 + H LEU 49 OK 78 78 100 100 2.7-3.6 3.9=100 HB3 LEU 123 - H LEU 49 far 0 85 0 - 6.6-9.2 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 3 assignments used, quality = 1.00: * HG LEU 48 + H LEU 49 OK 100 100 100 100 4.3-5.0 6586/6589=77...(38) HB2 LEU 43 - H LEU 49 far 0 93 0 - 8.6-10.4 HB3 LEU 70 - H LEU 49 far 0 100 0 - 9.8-13.5 Violated in 17 structures by 0.10 A. Peak 6601 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 4.53 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 48 + H LEU 49 OK 100 100 100 100 3.2-4.0 1527=72, 2.1/6600=69...(33) QD1 LEU 49 + H LEU 49 OK 100 100 100 100 1.8-4.1 4.7=90, 2.1/6606=76...(33) QD1 LEU 48 + H LEU 49 OK 92 92 100 100 2.0-4.8 3.1/6598=69, 2.1/6600=69...(43) QD2 LEU 123 + H LEU 49 OK 22 73 45 66 4.1-8.4 10348/11008=15...(15) QD1 LEU 123 - H LEU 49 far 0 85 0 - 5.8-8.6 QD1 LEU 62 - H LEU 49 far 0 100 0 - 6.9-10.0 QG2 VAL 63 - H LEU 49 far 0 100 0 - 9.5-11.3 QG1 VAL 118 - H LEU 49 far 0 98 0 - 9.6-11.9 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 9 assignments used, quality = 1.00: * QD1 LEU 48 + H LEU 49 OK 100 100 100 100 2.0-4.8 1535=71, 3.1/6598=68...(44) QD1 LEU 49 + H LEU 49 OK 97 97 100 100 1.8-4.1 4.7=89, 2.1/6606=75...(33) QD2 LEU 48 + H LEU 49 OK 92 92 100 100 3.2-4.0 2.1/6600=68, 3.1/6598=68...(33) QD1 LEU 123 - H LEU 49 far 0 100 0 - 5.8-8.6 QD1 LEU 62 - H LEU 49 far 0 97 0 - 6.9-10.0 QG1 VAL 57 - H LEU 49 far 0 71 0 - 8.1-9.3 QG2 VAL 63 - H LEU 49 far 0 95 0 - 9.5-11.3 QG1 VAL 118 - H LEU 49 far 0 73 0 - 9.6-11.9 QD1 LEU 119 - H LEU 49 far 0 87 0 - 9.7-12.6 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 2.7-2.9 2.9=100 HA LEU 48 + H LEU 49 OK 100 100 100 100 3.4-3.6 3.6=100 HA CYS 45 + H LEU 49 OK 91 92 100 99 4.1-5.1 1437/6598=46...(14) HA ALA 52 - H LEU 49 far 0 71 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 6604 from nnoeabs.peaks (1.50, 8.30, 120.94 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + H LEU 49 OK 100 100 100 100 2.2-3.6 3.9=90, 3.0/6606=46...(37) QB ALA 52 + H LEU 49 OK 50 87 60 97 4.3-5.3 9247=43, 1631/2.9=29...(25) HG LEU 69 - H LEU 49 far 0 89 0 - 5.5-8.4 HB2 LEU 53 - H LEU 49 far 0 73 0 - 7.2-9.5 HG LEU 42 - H LEU 49 far 0 97 0 - 9.0-10.3 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 2.7-3.6 3.9=100 HB3 LEU 48 + H LEU 49 OK 78 78 100 100 2.1-4.4 1.8/6598=73, 4.6=67...(39) HG LEU 53 - H LEU 49 far 0 83 0 - 5.1-8.7 HB3 LEU 123 - H LEU 49 far 0 53 0 - 6.6-9.2 Violated in 0 structures by 0.00 A. Peak 6606 from nnoeabs.peaks (1.57, 8.30, 120.94 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 49 + H LEU 49 OK 100 100 100 100 1.8-4.3 1564=87, 10992/11703=55...(38) HG LEU 123 - H LEU 49 far 0 100 0 - 6.4-10.4 HB2 LEU 119 - H LEU 49 far 0 65 0 - 9.3-12.2 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 9 assignments used, quality = 1.00: * QD2 LEU 49 + H LEU 49 OK 100 100 100 100 2.9-4.3 1573/2.9=68, 2.1/6606=65...(30) QD1 LEU 53 + H LEU 49 OK 51 100 60 85 4.3-7.6 6621/3.2=32, 1541/2.9=30...(14) QD1 LEU 122 - H LEU 49 far 0 97 0 - 5.6-9.0 QD2 LEU 122 - H LEU 49 far 0 97 0 - 6.2-10.1 QD1 LEU 96 - H LEU 49 far 0 71 0 - 6.4-8.2 QG2 ILE 129 - H LEU 49 far 0 71 0 - 8.7-9.7 QD2 LEU 119 - H LEU 49 far 0 100 0 - 8.9-11.2 QD1 LEU 103 - H LEU 49 far 0 92 0 - 9.7-12.4 QG1 VAL 63 - H LEU 49 far 0 93 0 - 9.7-11.4 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 9 assignments used, quality = 1.00: * QD1 LEU 49 + H LEU 49 OK 100 100 100 100 1.8-4.1 4.7=91, 2.1/6606=76...(33) QD2 LEU 48 + H LEU 49 OK 100 100 100 100 3.2-4.0 1527=71, 2.1/6600=69...(33) QD1 LEU 48 + H LEU 49 OK 97 97 100 100 2.0-4.8 3.1/6598=69, 2.1/6600=69...(43) QD2 LEU 123 - H LEU 49 poor 16 63 45 56 4.1-8.4 6622/3.2=11...(13) QD1 LEU 123 - H LEU 49 far 0 92 0 - 5.8-8.6 QD1 LEU 62 - H LEU 49 far 0 100 0 - 6.9-10.0 QG2 VAL 63 - H LEU 49 far 0 100 0 - 9.5-11.3 QG1 VAL 118 - H LEU 49 far 0 95 0 - 9.6-11.9 QD1 LEU 119 - H LEU 49 far 0 60 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 6609 from nnoeabs.peaks (8.66, 8.30, 120.94 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * H SER 50 + H LEU 49 OK 100 100 100 100 2.5-2.9 3.2=100 H HIS 67 - H LEU 49 far 0 100 0 - 8.1-10.3 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 = 0.98: * H SER 51 + H LEU 49 OK 98 100 100 98 3.9-4.5 6631=43, 1491/3.6=32...(21) H ASP 64 - H LEU 49 far 0 71 0 - 9.2-11.2 H ILE 129 - H LEU 49 far 0 85 0 - 9.4-11.4 Violated in 8 structures by 0.03 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 6 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 88 100 90 98 4.0-5.6 1455/3.2=53, 2.1/9213=45...(14) 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 2.3-3.6 4.0=100 HB2 SER 107 - H SER 60 poor 11 56 20 - 3.8-11.6 HA2 GLY 114 - H SER 60 far 0 85 0 - 9.6-16.7 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 4 assignments used, quality = 1.00: * HA ASP 47 + H SER 50 OK 99 100 100 99 3.2-3.7 1469/3.9=52...(12) HA ASN 59 + H SER 60 OK 90 90 100 100 3.5-3.5 3.6=100 HA PRO 113 - H SER 60 far 0 52 0 - 7.9-13.4 HA LEU 69 - H SER 50 far 0 96 0 - 9.3-11.1 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 4.0-4.4 6590=100, 6589/3.2=93...(18) H ALA 52 + H SER 50 OK 89 89 100 100 3.9-4.5 6645=83, ~9247=46...(28) H SER 130 - H SER 50 far 0 97 0 - 8.2-9.5 H CYS 125 - H SER 50 far 0 100 0 - 8.4-9.9 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 5 assignments used, quality = 1.00: HA LEU 49 + H SER 50 OK 100 100 100 100 3.5-3.5 3.6=100 * HA LEU 48 + H SER 50 OK 99 100 100 99 4.1-4.5 2.9/6590=62, 1491/3.1=39...(21) HA GLN 104 - H SER 60 far 0 73 0 - 5.7-7.7 HA CYS 45 - H SER 50 far 0 95 0 - 6.3-7.4 HA ALA 52 - H SER 50 far 0 76 0 - 6.7-7.2 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 2.5-2.9 3.2=100 H GLY 111 - H SER 60 far 5 94 5 - 4.2-10.5 H ALA 110 - H SER 60 far 0 94 0 - 5.4-11.4 H VAL 126 - H SER 50 far 0 96 0 - 6.9-8.3 H LEU 69 - H SER 50 far 0 100 0 - 9.0-10.4 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 5 assignments used, quality = 1.00: * HA LEU 49 + H SER 50 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 48 + H SER 50 OK 99 100 100 99 4.1-4.5 2.9/6590=62, 1491/3.1=39...(21) HA GLN 104 - H SER 60 far 0 77 0 - 5.7-7.7 HA CYS 45 - H SER 50 far 0 92 0 - 6.3-7.4 HA ALA 52 - H SER 50 far 0 71 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 6618 from nnoeabs.peaks (1.50, 8.66, 113.28 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 49 + H SER 50 OK 100 100 100 100 2.5-4.1 1.8/6619=82, 4.6=69...(38) QB ALA 52 + H SER 50 OK 49 87 60 95 4.6-5.4 2.9/6645=43, 9247/3.2=40...(20) HB2 LEU 53 - H SER 50 far 0 73 0 - 6.1-7.7 HG LEU 69 - H SER 50 far 0 89 0 - 6.7-9.8 QB ALA 52 - H SER 60 far 0 77 0 - 7.5-8.4 HG LEU 42 - H SER 50 far 0 97 0 - 9.8-11.2 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 6 assignments used, quality = 0.99: * HB3 LEU 49 + H SER 50 OK 99 100 100 99 3.3-4.1 4.6=58, 1.8/6618=46...(38) HB3 LEU 48 - H SER 50 poor 16 78 20 - 4.6-6.1 HG LEU 53 - H SER 50 far 12 83 15 - 4.4-7.1 HB3 LEU 123 - H SER 50 far 3 53 5 - 4.7-7.5 HB2 PRO 113 - H SER 60 far 0 92 0 - 7.4-14.6 HG2 PRO 113 - H SER 60 far 0 80 0 - 7.9-15.3 Violated in 7 structures by 0.04 A. Peak 6620 from nnoeabs.peaks (1.57, 8.66, 113.28 ppm; 4.83 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 49 + H SER 50 OK 100 100 100 100 2.3-5.0 3.0/6619=82, 6606/3.2=70...(29) HG LEU 123 + H SER 50 OK 25 100 25 99 4.7-8.2 ~11772=60, ~11636=57...(19) HG LEU 103 - H SER 60 far 4 80 5 - 5.6-8.6 HB2 LEU 103 - H SER 60 far 0 93 0 - 8.3-10.5 HB2 LEU 119 - H SER 50 far 0 65 0 - 8.6-10.6 HB2 LEU 119 - H SER 60 far 0 56 0 - 8.7-11.5 Violated in 1 structures by 0.00 A. Peak 6621 from nnoeabs.peaks (0.80, 8.66, 113.28 ppm; 3.98 A): 2 out of 15 assignments used, quality = 0.99: QD1 LEU 53 + H SER 50 OK 94 100 95 99 3.1-5.9 9218/2.9=60...(28) * QD2 LEU 49 + H SER 50 OK 85 100 85 100 3.9-5.0 3.2/6619=59, 1573/3.6=54...(33) QD1 LEU 103 - H SER 60 far 8 82 10 - 4.6-7.5 QD2 LEU 122 - H SER 50 far 0 97 0 - 5.3-9.7 QG1 VAL 63 - H SER 60 far 0 84 0 - 5.7-6.4 QD2 LEU 119 - H SER 60 far 0 93 0 - 5.9-10.3 QD1 LEU 122 - H SER 50 far 0 97 0 - 6.0-8.9 QD1 LEU 96 - H SER 50 far 0 71 0 - 7.1-9.0 QD1 LEU 122 - H SER 60 far 0 89 0 - 7.7-10.4 QD2 LEU 122 - H SER 60 far 0 89 0 - 8.0-11.4 QD2 LEU 49 - H SER 60 far 0 94 0 - 8.2-11.2 QD2 LEU 119 - H SER 50 far 0 100 0 - 8.7-10.5 QD1 LEU 53 - H SER 60 far 0 93 0 - 8.7-13.5 QG2 ILE 129 - H SER 50 far 0 71 0 - 8.9-10.1 QD1 LEU 103 - H SER 50 far 0 92 0 - 9.9-12.0 Violated in 4 structures by 0.05 A. Peak 6622 from nnoeabs.peaks (0.91, 8.66, 113.28 ppm; 3.75 A): 4 out of 16 assignments used, quality = 1.00: * QD1 LEU 49 + H SER 50 OK 99 100 100 99 2.2-4.3 3.2/6619=52, 2.1/6620=35...(31) QG2 VAL 63 + H SER 60 OK 83 94 90 99 3.7-4.8 ~10978=33, ~2020=32...(19) QD1 LEU 123 + H SER 50 OK 40 92 45 96 3.7-6.4 11772/2.9=59, ~11636=34...(22) QD2 LEU 123 + H SER 50 OK 37 63 65 91 2.8-6.5 ~11772=36, 11636/2.9=30...(22) QD1 LEU 48 - H SER 50 far 14 97 15 - 4.0-6.7 QD2 LEU 48 - H SER 50 far 5 100 5 - 4.6-5.5 QD1 LEU 62 - H SER 60 far 0 94 0 - 4.8-6.3 QG2 VAL 112 - H SER 60 far 0 88 0 - 5.9-10.5 QD1 LEU 119 - H SER 60 far 0 52 0 - 6.6-9.0 QD1 LEU 62 - H SER 50 far 0 100 0 - 7.1-9.6 QD1 LEU 22 - H SER 60 far 0 77 0 - 7.7-40.4 QG1 VAL 118 - H SER 60 far 0 85 0 - 7.9-9.6 QD1 LEU 49 - H SER 60 far 0 94 0 - 8.9-12.3 QD1 LEU 119 - H SER 50 far 0 60 0 - 9.2-11.4 QG1 VAL 118 - H SER 50 far 0 95 0 - 9.5-11.2 QD2 LEU 48 - H SER 60 far 0 93 0 - 9.8-11.5 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 10 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 2.8-2.9 2.8=100 HB3 SER 51 - H SER 50 far 0 92 0 - 4.7-5.8 HA GLN 127 - H SER 50 far 0 65 0 - 5.2-6.7 HA LEU 103 - H SER 60 far 0 73 0 - 7.7-10.4 HA THR 65 - H SER 50 far 0 68 0 - 8.1-9.3 HB3 SER 106 - H SER 60 far 0 77 0 - 8.2-13.0 HA LEU 119 - H SER 50 far 0 60 0 - 8.6-10.4 HB2 SER 106 - H SER 60 far 0 49 0 - 8.9-14.4 HA LEU 119 - H SER 60 far 0 52 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 6624 from nnoeabs.peaks (3.84, 8.66, 113.28 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 50 + H SER 50 OK 100 100 100 100 2.2-3.5 3.9=100 HA LEU 123 - H SER 50 far 10 97 10 - 4.0-6.4 HD3 PRO 58 - H SER 60 far 0 77 0 - 5.6-6.4 HA LEU 62 - H SER 60 far 0 91 0 - 6.8-7.2 HA LEU 62 - H SER 50 far 0 99 0 - 7.0-8.6 HB2 SER 130 - H SER 50 far 0 90 0 - 7.5-9.1 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 5 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 87 99 90 98 4.0-5.6 1455/3.2=52, 2.1/9213=44...(14) 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 2.3-3.6 4.0=100 HA2 GLY 114 - H SER 60 far 0 92 0 - 9.6-16.7 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 2.6-2.9 3.1=100 H ASP 64 - H SER 60 far 0 61 0 - 5.7-6.5 H VAL 57 - H SER 60 far 0 66 0 - 7.9-8.5 H ILE 129 - H SER 50 far 0 85 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 6627 from nnoeabs.peaks (8.03, 8.66, 113.28 ppm; 4.06 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 52 + H SER 50 OK 99 100 100 99 3.9-4.5 6645=49, 1544/3.6=26...(28) H LEU 48 + H SER 50 OK 87 89 100 98 4.0-4.4 6589/3.2=54, 6590=51...(17) H VAL 57 - H SER 60 far 0 68 0 - 7.9-8.5 H SER 130 - H SER 50 far 0 99 0 - 8.2-9.5 H CYS 125 - H SER 50 far 0 92 0 - 8.4-9.9 H ILE 129 - H SER 50 far 0 68 0 - 9.0-10.4 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 3 assignments used, quality = 0.98: * HA ASP 47 + H SER 51 OK 98 100 100 98 4.1-5.3 1469/1601=70...(5) HA CYS 125 - H SER 94 far 0 87 0 - 7.8-8.9 HA LEU 69 - H SER 94 far 0 87 0 - 9.7-12.8 Violated in 1 structures by 0.00 A. Peak 6630 from nnoeabs.peaks (4.11, 7.98, 115.88 ppm; 5.14 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 48 + H SER 51 OK 100 100 100 100 3.3-3.8 1615/1616=78...(17) HA LEU 49 + H SER 51 OK 100 100 100 100 3.7-4.5 2.9/6610=82, ~6619=47...(17) HA ALA 52 + H SER 51 OK 74 76 100 97 4.8-5.4 3.6/6658=70, 2.1/9224=48...(7) HA PHE 89 - H SER 94 far 0 66 0 - 6.3-7.4 HA CYS 45 - H SER 51 far 0 95 0 - 7.8-8.5 HA LEU 98 - H SER 94 far 0 94 0 - 8.4-9.4 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 3.9-4.5 6610=100, 3.6/1491=41...(21) H LEU 96 + H SER 94 OK 53 54 100 97 4.1-4.4 3.8/9226=49, 4.6/9221=40...(16) H SER 99 - H SER 94 far 0 88 0 - 7.9-9.1 H VAL 126 - H SER 94 far 0 87 0 - 9.0-9.9 H VAL 126 - H SER 51 far 0 96 0 - 9.4-10.8 H TYR 72 - H SER 94 far 0 75 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 6632 from nnoeabs.peaks (4.11, 7.98, 115.88 ppm; 5.16 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 48 + H SER 51 OK 100 100 100 100 3.3-3.8 1615/1616=79...(17) * HA LEU 49 + H SER 51 OK 100 100 100 100 3.7-4.5 2.9/6610=82, ~6619=47...(17) HA ALA 52 + H SER 51 OK 69 71 100 97 4.8-5.4 3.6/6658=71, 2.1/9224=48...(7) HA PHE 89 - H SER 94 far 0 71 0 - 6.3-7.4 HA CYS 45 - H SER 51 far 0 92 0 - 7.8-8.5 HA LEU 98 - H SER 94 far 0 94 0 - 8.4-9.4 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 2 assignments used, quality = 1.00: * H SER 50 + H SER 51 OK 100 100 100 100 2.6-2.9 3.1=100 H PHE 89 - H SER 94 far 0 57 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 6634 from nnoeabs.peaks (4.00, 7.98, 115.88 ppm; 4.48 A): 5 out of 9 assignments used, quality = 1.00: * HA SER 50 + H SER 51 OK 100 100 100 100 3.5-3.5 3.6=100 HB3 SER 51 + H SER 51 OK 92 92 100 100 2.1-3.1 3.8=100 HA GLU 91 + H SER 94 OK 78 81 100 96 4.2-4.5 3.6/7259=58, 2857=48...(8) HB3 SER 94 + H SER 94 OK 64 64 100 100 2.2-3.6 3.6=100 HA LYS 95 + H SER 94 OK 34 66 60 86 5.3-5.5 3.0/9221=47, 3.6/7288=31...(9) HA GLN 127 - H SER 51 far 0 65 0 - 7.8-9.1 HB3 SER 99 - H SER 94 far 0 90 0 - 8.8-12.1 HA LEU 119 - H SER 51 far 0 60 0 - 9.1-11.4 HA THR 65 - H SER 51 far 0 68 0 - 9.2-10.4 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 2.8-4.3 4.7=100 HA LEU 123 - H SER 51 far 0 97 0 - 6.0-8.2 HA LEU 62 - H SER 51 far 0 99 0 - 8.0-8.9 HB2 SER 130 - H SER 51 far 0 90 0 - 9.7-11.4 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 5 assignments used, quality = 1.00: * HB3 SER 50 + H SER 51 OK 98 100 100 98 2.6-4.1 1.8/1601=68, 4.7=66...(18) HB2 SER 94 + H SER 94 OK 84 84 100 100 2.2-2.9 3.6=100 HA LEU 70 - H SER 94 far 0 92 0 - 5.9-8.4 HA ALA 46 - H SER 51 far 0 99 0 - 6.7-7.9 HA LYS 86 - H SER 94 far 0 94 0 - 8.9-9.9 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 5 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 - 7.5-8.2 HA SER 124 - H SER 51 far 0 73 0 - 9.7-10.9 HA HIS 67 - H SER 94 far 0 94 0 - 9.8-12.6 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 4 assignments used, quality = 0.98: * HB2 SER 51 + H SER 51 OK 97 100 100 97 2.2-3.5 1616=89, 1620/3.1=43...(9) HB3 SER 94 + H SER 94 OK 40 49 100 80 2.2-3.6 3.6=78, 7297/3.4=10 HA GLN 127 - H SER 51 far 0 65 0 - 7.8-9.1 HA THR 65 - H SER 51 far 0 63 0 - 9.2-10.4 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 7 assignments used, quality = 1.00: * HB3 SER 51 + H SER 51 OK 100 100 100 100 2.1-3.1 3.8=90, 1.8/1616=80...(10) HA SER 50 + H SER 51 OK 92 92 100 100 3.5-3.5 3.6=100 HB3 SER 94 + H SER 94 OK 90 90 100 100 2.2-3.6 3.6=100 HA GLU 91 + H SER 94 OK 84 94 100 89 4.2-4.5 3.6/7259=40, 2857=38...(8) HA GLN 127 - H SER 51 far 0 96 0 - 7.8-9.1 HB3 SER 99 - H SER 94 far 0 64 0 - 8.8-12.1 HA THR 65 - H SER 51 far 0 97 0 - 9.2-10.4 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 5 assignments used, quality = 1.00: * H ALA 52 + H SER 51 OK 100 100 100 100 2.2-2.8 3.1=100 H LEU 48 + H SER 51 OK 89 89 100 100 4.8-5.3 4.0/6610=78, 3.6/6629=69...(20) H ILE 129 - H SER 94 far 0 59 0 - 8.2-9.1 H CYS 125 - H SER 94 far 0 82 0 - 9.7-10.9 H TYR 76 - H SER 94 far 0 82 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 6641 from nnoeabs.peaks (7.71, 7.98, 115.88 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 53 + H SER 51 OK 98 100 100 98 3.8-4.4 6658=70, 9219/1616=50...(14) 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 - 5.9-6.8 H CYS 45 - H SER 51 far 0 65 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 6642 from nnoeabs.peaks (8.03, 8.03, 125.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 52 + H ALA 52 OK 100 100 - 100 Peak 6643 from nnoeabs.peaks (4.11, 8.03, 125.41 ppm; 3.98 A): 3 out of 5 assignments used, quality = 1.00: HA LEU 49 + H ALA 52 OK 99 100 100 99 2.9-3.6 1544=48, 1631/2.9=39...(29) * HA LEU 48 + H ALA 52 OK 86 100 90 96 4.2-5.0 1615/1620=47...(14) 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 - 8.6-9.2 HA3 GLY 114 - H ALA 52 far 0 92 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. Peak 6644 from nnoeabs.peaks (4.11, 8.03, 125.41 ppm; 3.97 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 49 + H ALA 52 OK 99 100 100 99 2.9-3.6 1544=48, 1631/2.9=39...(29) HA LEU 48 + H ALA 52 OK 86 100 90 96 4.2-5.0 1615/1620=47...(14) 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 - 8.6-9.2 HA3 GLY 114 - H ALA 52 far 0 89 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. Peak 6645 from nnoeabs.peaks (8.66, 8.03, 125.41 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H SER 50 + H ALA 52 OK 100 100 100 100 3.9-4.5 6627=53, ~9247=42...(28) 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 4.1-4.8 2.9/6645=68, 6657/3.3=59...(18) HB3 SER 51 + H ALA 52 OK 92 92 100 100 2.8-4.1 4.6=100 HA LEU 119 - H ALA 52 far 0 60 0 - 7.5-10.0 HA THR 65 - H ALA 52 far 0 68 0 - 8.1-9.7 HA GLN 127 - H ALA 52 far 0 65 0 - 9.0-11.0 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 2.2-2.8 3.1=100 H VAL 57 - H ALA 52 far 0 76 0 - 8.3-9.2 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 3.4-3.6 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 2.4-3.5 1620=100, 1616/3.1=70...(13) HA THR 65 - H ALA 52 far 0 63 0 - 8.1-9.7 HA GLN 127 - H ALA 52 far 0 65 0 - 9.0-11.0 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 2.8-4.1 1.8/1620=91, 4.6=89...(16) HA SER 50 + H ALA 52 OK 91 92 100 99 4.1-4.8 2.9/6645=52, 6657/3.3=39...(17) HA THR 65 - H ALA 52 far 0 97 0 - 8.1-9.7 HA GLN 127 - H ALA 52 far 0 96 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 6651 from nnoeabs.peaks (4.13, 8.03, 125.41 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HA ALA 52 + H ALA 52 OK 100 100 100 100 2.8-2.9 2.9=100 HA LEU 49 + H ALA 52 OK 70 71 100 99 2.9-3.6 3.6/6645=37, 1631/2.9=28...(27) HA LEU 48 + H ALA 52 OK 66 76 95 91 4.2-5.0 1615/1620=36...(14) HA CYS 45 - H ALA 52 far 0 97 0 - 8.6-9.2 HA3 GLY 114 - H ALA 52 far 0 99 0 - 9.6-19.3 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 2.0-2.3 2.9=100 HB2 LEU 49 - H ALA 52 far 0 87 0 - 4.8-5.9 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 2.5-2.9 3.3=100 Violated in 0 structures by 0.00 A. Peak 6654 from nnoeabs.peaks (7.55, 8.03, 125.41 ppm; 5.61 A): 2 out of 3 assignments used, quality = 1.00: * H THR 54 + H ALA 52 OK 100 100 100 100 3.6-4.3 6673=100, 6675/3.3=96...(10) HE22 GLN 61 + H ALA 52 OK 51 97 60 88 5.0-8.4 9369/2.9=69, ~9375=49 H LEU 119 - H ALA 52 far 0 99 0 - 9.9-12.4 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 97 100 100 97 3.2-5.0 1631/6662=45...(14) HA ALA 52 + H LEU 53 OK 71 71 100 100 3.4-3.6 3.6=100 HA LEU 48 - H LEU 53 far 0 100 0 - 6.4-7.2 HA3 GLY 114 - H LEU 53 far 0 89 0 - 8.0-17.0 HA CYS 45 - H LEU 53 far 0 92 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 6657 from nnoeabs.peaks (4.00, 7.71, 113.84 ppm; 4.60 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 50 + H LEU 53 OK 100 100 100 100 3.4-4.2 9218/6667=65...(13) HB3 SER 51 + H LEU 53 OK 23 92 25 99 5.0-6.2 1.8/9219=84, 3.8/6658=55...(10) HA LEU 119 - H LEU 53 far 3 60 5 - 5.2-8.3 HA THR 65 - H LEU 53 far 0 68 0 - 8.8-11.9 HA GLN 127 - H LEU 53 far 0 65 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 6658 from nnoeabs.peaks (7.98, 7.71, 113.84 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.99: * H SER 51 + H LEU 53 OK 99 100 100 99 3.8-4.4 1616/9219=62, 6641=52...(14) H VAL 57 - H LEU 53 far 0 76 0 - 7.6-8.1 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 3.5-5.0 2.9/9219=86, 3.0/6658=81...(10) HA SER 124 - H LEU 53 far 0 73 0 - 9.1-10.6 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 2.5-2.9 3.3=100 H VAL 57 - H LEU 53 far 0 78 0 - 7.6-8.1 H LEU 48 - H LEU 53 far 0 89 0 - 7.8-8.5 H CYS 125 - H LEU 53 far 0 92 0 - 9.6-11.3 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 3.4-3.6 3.6=100 HA LEU 49 + H LEU 53 OK 62 71 100 88 3.2-5.0 4.8/6657=33...(13) HA LEU 48 - H LEU 53 far 0 76 0 - 6.4-7.2 HA3 GLY 114 - H LEU 53 far 0 99 0 - 8.0-17.0 HA CYS 45 - H LEU 53 far 0 97 0 - 9.9-11.4 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 2.3-3.1 3.7=95, 9232/9251=41...(10) HB2 LEU 49 - H LEU 53 far 4 87 5 - 4.5-6.5 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 2.8-3.6 4.0=84, 1.8/6665=79...(20) HB2 LEU 49 - H LEU 53 far 7 73 10 - 4.5-6.5 HB2 LEU 119 - H LEU 53 far 4 73 5 - 4.1-7.2 HG LEU 69 - H LEU 53 far 0 99 0 - 9.6-14.7 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 2.1-2.7 4.0=73, 1.8/6664=68...(20) HB2 GLU 55 - H LEU 53 far 0 100 0 - 6.6-7.3 HG2 PRO 56 - H LEU 53 far 0 93 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6666 from nnoeabs.peaks (1.94, 7.71, 113.84 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.97: * HG LEU 53 + H LEU 53 OK 95 100 95 100 2.0-4.6 2.1/6667=68, 2.1/6668=65...(19) HB3 LEU 49 + H LEU 53 OK 46 83 65 86 3.9-6.3 9240/6662=25...(18) HB2 PRO 113 - H LEU 53 far 0 68 0 - 8.5-14.0 Violated in 4 structures by 0.03 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 2.0-3.7 2.1/6668=65, 4.3=61...(22) QD2 LEU 119 - H LEU 53 far 0 99 0 - 5.0-8.1 QD2 LEU 49 - H LEU 53 far 0 100 0 - 5.1-6.8 QD1 LEU 122 - H LEU 53 far 0 95 0 - 5.1-8.3 QD2 LEU 122 - H LEU 53 far 0 99 0 - 5.9-10.0 QD1 LEU 103 - H LEU 53 far 0 96 0 - 7.7-10.3 QD1 LEU 96 - H LEU 53 far 0 78 0 - 8.3-11.9 Violated in 1 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 1.9-4.1 2.1/6667=73, 1679/3.0=70...(16) QD1 LEU 119 - H LEU 53 far 0 71 0 - 5.0-8.1 QG1 VAL 57 - H LEU 53 far 0 87 0 - 5.6-6.6 QG1 VAL 126 - H LEU 53 far 0 97 0 - 6.5-8.6 QG2 VAL 126 - H LEU 53 far 0 100 0 - 6.9-10.0 Violated in 10 structures by 0.07 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 2.4-2.8 6675=100, 6678/6665=44...(11) HE22 GLN 61 - H LEU 53 far 0 97 0 - 5.5-9.6 H LEU 119 - H LEU 53 far 0 99 0 - 7.4-10.3 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 3.2-4.0 1691/4.0=72, 3.6/6673=69...(5) HA SER 124 - H THR 54 far 0 73 0 - 9.4-11.4 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 3.6-4.3 3.3/6675=87, 2.9/6674=73...(10) H VAL 57 - H THR 54 far 0 78 0 - 7.5-8.0 H LEU 48 - H THR 54 far 0 89 0 - 9.3-10.2 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 3.6-4.3 3.6/6675=75, 2.9/6673=59...(8) HA LEU 49 - H THR 54 far 0 71 0 - 5.8-7.3 HA3 GLY 114 - H THR 54 far 0 99 0 - 7.2-15.9 HA LEU 48 - H THR 54 far 0 76 0 - 7.7-8.5 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 2.4-2.8 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 3.4-3.5 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 3.3-4.4 4.6=89, 1.8/6678=85...(7) HB2 LEU 119 - H THR 54 far 0 73 0 - 5.5-8.7 HB2 LEU 49 - H THR 54 far 0 73 0 - 6.8-8.9 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 = 1.00: * HB3 LEU 53 + H THR 54 OK 100 100 100 100 2.6-4.0 4.6=73, 1.8/6677=69...(7) HB2 GLU 55 - H THR 54 far 0 100 0 - 5.6-6.0 HG2 PRO 56 - H THR 54 far 0 93 0 - 8.7-9.2 HG3 PRO 56 - H THR 54 far 0 93 0 - 9.2-9.6 HB3 PRO 56 - H THR 54 far 0 99 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 6679 from nnoeabs.peaks (1.94, 7.55, 107.70 ppm; 5.12 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 53 + H THR 54 OK 100 100 100 100 2.3-5.4 2.1/6681=90, 3.0/6678=84...(8) HB3 LEU 49 - H THR 54 far 0 83 0 - 6.2-8.6 HB2 PRO 113 - H THR 54 far 0 68 0 - 7.4-13.5 HG2 PRO 113 - H THR 54 far 0 100 0 - 9.1-15.0 Violated in 6 structures by 0.06 A. Peak 6680 from nnoeabs.peaks (0.79, 7.55, 107.70 ppm; 4.95 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + H THR 54 OK 100 100 100 100 1.9-4.9 4.6=100 QD2 LEU 119 - H THR 54 far 10 99 10 - 5.3-9.5 QD1 LEU 122 - H THR 54 far 0 95 0 - 6.7-10.2 QD2 LEU 49 - H THR 54 far 0 100 0 - 7.0-8.8 QD2 LEU 122 - H THR 54 far 0 99 0 - 7.2-11.9 QD1 LEU 103 - H THR 54 far 0 96 0 - 8.9-11.7 QD1 LEU 96 - H THR 54 far 0 78 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 6681 from nnoeabs.peaks (0.97, 7.55, 107.70 ppm; 4.39 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + H THR 54 OK 100 100 100 100 2.8-4.9 4.6=86, 1679/3.6=75...(7) QD1 LEU 119 - H THR 54 far 0 71 0 - 5.4-8.8 QG1 VAL 57 - H THR 54 far 0 87 0 - 6.3-6.9 QG1 VAL 126 - H THR 54 far 0 97 0 - 7.6-10.4 QG2 VAL 126 - H THR 54 far 0 100 0 - 8.4-11.9 Violated in 15 structures by 0.25 A. Peak 6682 from nnoeabs.peaks (4.42, 7.55, 107.70 ppm; 3.89 A): 1 out of 2 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 - 6.6-9.2 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 3.6-3.7 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 2.0-2.7 1697=95, 1698/3.0=62...(9) QG2 THR 65 - H THR 54 far 0 96 0 - 7.3-9.4 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 2.4-2.9 6687=100, 6690/6684=35...(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 3 assignments used, quality = 0.95: * H THR 54 + H GLU 55 OK 95 100 100 95 2.4-2.9 6685=82, 6684/6690=31...(9) HE22 GLN 61 - H GLU 55 far 0 97 0 - 6.8-10.4 H LEU 119 - H GLU 55 far 0 99 0 - 8.8-11.5 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 4 assignments used, quality = 1.00: * HA THR 54 + H GLU 55 OK 100 100 100 100 2.9-3.2 3.6=100 HA ASN 120 - H GLU 55 far 0 100 0 - 7.6-9.9 HA VAL 112 - H GLU 55 far 0 100 0 - 8.7-14.3 HA THR 115 - H GLU 55 far 0 76 0 - 9.2-15.5 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 4.4-4.6 4.6=100 HA PRO 58 - H GLU 55 far 0 98 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6690 from nnoeabs.peaks (1.24, 7.75, 122.78 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + H GLU 55 OK 100 100 100 100 4.0-4.3 1701=92, 6684/6687=71...(8) QG2 THR 65 - H GLU 55 far 0 96 0 - 8.4-10.0 Violated in 16 structures by 0.08 A. Peak 6691 from nnoeabs.peaks (4.76, 7.75, 122.78 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + H GLU 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6692 from nnoeabs.peaks (1.99, 7.75, 122.78 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.99: * HB2 GLU 55 + H GLU 55 OK 99 100 100 99 3.7-4.0 3.8=79, 1.8/6693=67...(9) HB3 LEU 53 - H GLU 55 far 0 100 0 - 4.7-5.4 HG2 PRO 56 - H GLU 55 far 0 89 0 - 6.5-6.5 HG3 PRO 56 - H GLU 55 far 0 89 0 - 6.7-6.9 HB3 PRO 56 - H GLU 55 far 0 97 0 - 7.0-7.1 Violated in 20 structures by 0.34 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 2.7-3.7 3.8=92, 1.8/6692=78...(9) HG3 PRO 113 - H GLU 55 far 0 85 0 - 8.5-13.1 HB2 LEU 62 - H GLU 55 far 0 92 0 - 8.6-10.4 Violated in 1 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 2.2-4.2 1720=89, 1.8/6695=74...(9) HG3 GLN 127 - H GLU 55 far 0 81 0 - 9.7-12.6 Violated in 10 structures by 0.10 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 2.8-4.3 1726=89, 1.8/6694=77...(10) HG3 GLN 61 - H GLU 55 far 0 89 0 - 7.2-9.4 Violated in 10 structures by 0.11 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...(10) Violated in 0 structures by 0.00 A. Peak 6698 from nnoeabs.peaks (2.13, 8.01, 121.40 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + H VAL 57 OK 100 100 100 100 4.1-4.3 3.9=100 HB VAL 112 - H VAL 57 far 0 87 0 - 6.3-10.8 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 3.7-3.9 3.9=100 HG2 PRO 56 + H VAL 57 OK 94 99 100 95 5.0-5.0 3.8/6697=74, 9322/3.0=23...(9) HB2 GLU 55 + H VAL 57 OK 75 97 80 96 5.3-5.9 9315/6707=72...(7) HG3 PRO 56 - H VAL 57 far 0 99 0 - 5.7-5.8 HG2 PRO 58 - H VAL 57 far 0 68 0 - 6.5-6.6 HB3 LEU 53 - H VAL 57 far 0 99 0 - 8.3-9.2 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 3.7-3.9 3.9=100 * HG2 PRO 56 + H VAL 57 OK 95 100 100 95 5.0-5.0 3.8/6697=74, 9322/3.0=23...(9) HB2 GLU 55 + H VAL 57 OK 66 89 80 93 5.3-5.9 9315/6707=60...(7) HG3 PRO 56 - H VAL 57 far 0 100 0 - 5.7-5.8 HG2 PRO 58 - H VAL 57 far 0 85 0 - 6.5-6.6 HB3 LEU 53 - H VAL 57 far 0 93 0 - 8.3-9.2 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 3.7-3.9 3.9=100 HG2 PRO 56 + H VAL 57 OK 95 100 100 95 5.0-5.0 3.8/6697=74, 9322/3.0=23...(9) HB2 GLU 55 + H VAL 57 OK 66 89 80 93 5.3-5.9 9315/6707=60...(7) ! HG3 PRO 56 - H VAL 57 far 0 100 0 - 5.7-5.8 HG2 PRO 58 - H VAL 57 far 0 85 0 - 6.5-6.6 HB3 LEU 53 - H VAL 57 far 0 93 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 6702 from nnoeabs.peaks (3.66, 8.01, 121.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + H VAL 57 OK 100 100 100 100 5.4-5.5 3.6/6697=100...(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 5.4-5.5 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 3.6-3.7 4.0=93, 2.1/1802=87...(8) HB3 GLN 61 - H VAL 57 far 0 97 0 - 5.5-7.3 HG3 PRO 113 - H VAL 57 far 0 60 0 - 5.9-10.8 HB2 GLN 61 - H VAL 57 far 0 99 0 - 6.0-8.1 HB VAL 112 - H VAL 57 far 0 63 0 - 6.3-10.8 HG3 PRO 58 - H VAL 57 far 0 87 0 - 6.9-6.9 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=55...(13) QD2 LEU 123 - H VAL 57 far 0 78 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 6707 from nnoeabs.peaks (0.95, 8.01, 121.40 ppm; 3.57 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 57 + H VAL 57 OK 100 100 100 100 3.6-3.7 2.1/1802=78, 1807=72...(13) QD1 LEU 119 - H VAL 57 lone 0 99 35 1 3.8-7.3 QG2 VAL 112 - H VAL 57 far 0 71 0 - 5.9-10.1 QD2 LEU 53 - H VAL 57 far 0 87 0 - 5.9-8.3 QG1 VAL 112 - H VAL 57 far 0 85 0 - 6.3-9.6 QD1 LEU 48 - H VAL 57 far 0 71 0 - 9.6-12.2 Violated in 19 structures by 0.09 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 = 0.97: * HA PRO 58 + H ASN 59 OK 97 100 100 97 2.2-2.4 1839=79, 2.3/6711=44...(7) HA SER 106 - H ASN 59 far 0 100 0 - 9.0-13.9 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 2.5-3.5 2.3/6709=90, 4.3=89...(11) HG2 PRO 113 - H ASN 59 far 0 89 0 - 5.2-12.6 HG LEU 53 - H ASN 59 far 0 95 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 6711 from nnoeabs.peaks (2.41, 8.89, 122.23 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + H ASN 59 OK 100 100 100 100 3.4-4.0 2.3/6709=84, 4.3=74...(9) HG3 GLN 61 - H ASN 59 far 0 100 0 - 5.8-8.0 HG3 GLU 55 - H ASN 59 far 0 92 0 - 10.0-14.2 Violated in 3 structures by 0.00 A. Peak 6712 from nnoeabs.peaks (2.03, 8.89, 122.23 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: * HG2 PRO 58 + H ASN 59 OK 100 100 100 100 4.3-5.0 2.3/6711=89, 2.3/6710=85...(9) HB VAL 63 - H ASN 59 far 0 100 0 - 6.4-8.3 HB3 PRO 56 - H ASN 59 far 0 68 0 - 8.6-9.7 QE MET 11 - H ASN 59 far 0 93 0 - 9.9-43.4 Violated in 9 structures by 0.03 A. Peak 6713 from nnoeabs.peaks (2.07, 8.89, 122.23 ppm; 4.80 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 58 + H ASN 59 OK 100 100 100 100 5.0-5.6 2.3/6711=89, 2.3/6710=85...(7) HB2 LEU 62 + H ASN 59 OK 55 92 60 100 5.3-6.7 1880/2.9=81, ~9360=48...(26) HB3 GLN 61 + H ASN 59 OK 38 60 85 75 5.1-7.5 4.0/6748=28, 4.6/6722=22...(9) HB VAL 57 - H ASN 59 poor 17 87 20 - 5.6-6.0 HB2 GLN 61 - H ASN 59 far 3 68 5 - 5.7-6.9 HG3 PRO 113 - H ASN 59 far 0 97 0 - 6.9-13.0 HB VAL 118 - H ASN 59 far 0 92 0 - 8.3-10.4 Violated in 2 structures by 0.01 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 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6717 from nnoeabs.peaks (2.62, 8.89, 122.23 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.98: * HB2 ASN 59 + H ASN 59 OK 98 100 100 98 2.3-3.6 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 2.1-3.6 1.8/6717=68, 4.0=66...(9) HB2 ASN 116 - H ASN 59 far 0 73 0 - 6.2-10.6 Violated in 1 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 3.6-5.0 3.5/6718=90, 3.5/6717=88...(6) Violated in 0 structures by 0.00 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 2.5-2.9 6736=100, 6739/6718=54...(13) 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 4.1-4.7 6750/6736=65...(11) H LEU 62 + H ASN 59 OK 92 95 100 98 5.0-5.4 6780/2.9=69, ~10999=35...(11) HE22 GLN 104 - H ASN 59 far 0 99 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 6723 from nnoeabs.peaks (6.60, 6.60, 111.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD21 ASN 59 OK 100 100 - 100 Peak 6724 from nnoeabs.peaks (8.89, 6.60, 111.09 ppm; 5.75 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HD21 ASN 59 OK 100 100 100 100 3.2-5.9 5.7=100 H GLY 66 - HD21 ASN 59 far 0 99 0 - 7.6-11.6 Violated in 5 structures by 0.02 A. Peak 6725 from nnoeabs.peaks (4.33, 6.60, 111.09 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HD21 ASN 59 OK 100 100 100 100 1.9-5.1 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 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 6727 from nnoeabs.peaks (2.87, 6.60, 111.09 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HD21 ASN 59 OK 100 100 100 100 2.8-4.1 3.5=100 HB2 ASN 116 - HD21 ASN 59 lone 2 73 30 8 3.6-10.3 6733/1.7=6, 10948/9342=2 Violated in 3 structures by 0.01 A. Peak 6728 from nnoeabs.peaks (7.79, 6.60, 111.09 ppm; 2.70 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 59 + HD21 ASN 59 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 121 - HD21 ASN 59 far 0 92 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 6729 from nnoeabs.peaks (7.79, 7.79, 111.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HD22 ASN 59 OK 100 100 - 100 Peak 6731 from nnoeabs.peaks (4.33, 7.79, 111.09 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HD22 ASN 59 OK 100 100 100 100 2.0-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 6732 from nnoeabs.peaks (2.62, 7.79, 111.09 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HD22 ASN 59 OK 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 6733 from nnoeabs.peaks (2.87, 7.79, 111.09 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HD22 ASN 59 OK 100 100 100 100 2.2-4.1 3.5=100 HB2 ASN 116 - HD22 ASN 59 poor 10 73 50 27 2.9-8.8 3.5/11732=11...(6) 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 2.5-2.9 6721=91, 6718/6739=50...(13) H GLY 66 - H SER 50 far 0 91 0 - 8.0-9.5 H GLY 66 - H SER 60 far 0 99 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 6737 from nnoeabs.peaks (4.33, 8.66, 113.17 ppm; 4.33 A): 2 out of 3 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 3.2-3.7 1469/3.9=52, 3.6/6590=49...(12) HA LEU 69 - H SER 50 far 0 93 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 6738 from nnoeabs.peaks (2.62, 8.66, 113.17 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.97: * HB2 ASN 59 + H SER 60 OK 97 100 100 97 2.7-4.2 1.8/6739=77, 4.5=66...(6) Violated in 11 structures by 0.06 A. Peak 6739 from nnoeabs.peaks (2.87, 8.66, 113.17 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.96: * HB3 ASN 59 + H SER 60 OK 96 100 100 96 2.6-4.0 1.8/6738=72, 4.5=62...(7) HB2 ASN 116 - H SER 60 far 0 73 0 - 8.2-12.0 Violated in 1 structures by 0.01 A. Peak 6742 from nnoeabs.peaks (4.01, 8.66, 113.17 ppm; 3.81 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 60 + H SER 60 OK 100 100 100 100 2.8-2.9 2.8=100 HA SER 50 + H SER 50 OK 85 85 100 100 2.7-2.8 2.9=100 HB3 SER 51 - H SER 50 far 3 54 5 - 4.7-5.8 HA LEU 103 - H SER 60 far 0 99 0 - 7.7-10.4 HA LEU 119 - H SER 50 far 0 80 0 - 8.6-10.4 HA LEU 119 - H SER 60 far 0 90 0 - 9.4-10.7 HB3 SER 124 - H SER 50 far 0 73 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 6743 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 4.15 A): 4 out of 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 2.3-3.6 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 OK 36 85 45 93 4.0-5.6 1455/3.2=42...(13) HB2 SER 107 - H SER 60 poor 19 93 20 - 3.8-11.6 HA2 GLY 111 - H SER 60 lone 0 76 35 1 3.4-13.1 HD3 PRO 113 - H SER 60 far 0 60 0 - 8.1-13.1 HA2 GLY 114 - H SER 60 far 0 68 0 - 9.6-16.7 Violated in 0 structures by 0.00 A. Peak 6744 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 4.15 A): 4 out of 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 2.3-3.6 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 OK 36 85 45 93 4.0-5.6 1455/3.2=42...(13) HB2 SER 107 - H SER 60 poor 19 93 20 - 3.8-11.6 HA2 GLY 111 - H SER 60 lone 0 76 35 1 3.4-13.1 HD3 PRO 113 - H SER 60 far 0 60 0 - 8.1-13.1 HA2 GLY 114 - H SER 60 far 0 68 0 - 9.6-16.7 Violated in 0 structures by 0.00 A. Peak 6745 from nnoeabs.peaks (7.42, 8.66, 113.17 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 61 + H SER 60 OK 93 100 100 93 2.5-2.8 6750=72, 9331/10975=28...(10) H LEU 62 + H SER 60 OK 84 95 100 89 3.9-4.5 3.9/6750=44, 6780/3.6=43...(12) HE22 GLN 104 - H SER 60 far 0 99 0 - 7.2-9.8 H LEU 62 - H SER 50 far 0 85 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 6746 from nnoeabs.peaks (7.43, 8.66, 113.17 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 62 + H SER 60 OK 89 100 100 89 3.9-4.5 6780/3.6=47, 3.9/6750=44...(12) H GLN 61 + H SER 60 OK 88 95 100 93 2.5-2.8 4.6=70, 9331/10975=32...(10) HE22 GLN 104 - H SER 60 far 0 99 0 - 7.2-9.8 H LEU 62 - H SER 50 far 0 94 0 - 9.6-11.3 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 4.1-4.7 6736/6750=94...(12) H GLY 66 - H GLN 61 poor 12 99 25 50 7.2-8.1 ~6833=35, 6831/6820=16 Violated in 0 structures by 0.00 A. Peak 6749 from nnoeabs.peaks (4.33, 7.42, 122.18 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 59 + H GLN 61 OK 100 100 100 100 4.1-4.6 3.6/6750=96, 6780/3.9=93...(12) HA LYS 24 - H GLN 61 far 0 100 0 - 8.8-40.7 Violated in 0 structures by 0.00 A. Peak 6750 from nnoeabs.peaks (8.66, 7.42, 122.18 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + H GLN 61 OK 100 100 100 100 2.5-2.8 4.6=98, 10975/9331=33...(11) H HIS 67 - H GLN 61 far 0 97 0 - 8.8-9.5 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 103 - H GLN 61 far 0 99 0 - 9.2-11.8 HA LEU 119 - H GLN 61 far 0 90 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 5 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 - 5.4-15.1 HA THR 25 - H GLN 61 far 0 97 0 - 7.9-40.9 HA ALA 108 - H GLN 61 far 0 100 0 - 8.0-14.6 HA ALA 109 - H GLN 61 far 0 100 0 - 9.5-12.9 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 2.2-2.8 4.0=100 HB3 GLN 61 + H GLN 61 OK 100 100 100 100 2.3-3.6 4.0=100 HB VAL 57 + H GLN 61 OK 55 99 100 56 4.3-4.8 2.1/9298=21, 1954/4.5=16...(6) HG3 PRO 58 + H GLN 61 OK 50 68 100 73 3.8-4.3 2.3/10981=50...(5) HB VAL 112 - H GLN 61 far 0 83 0 - 9.1-14.3 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 2.3-3.6 4.0=100 HB2 GLN 61 + H GLN 61 OK 100 100 100 100 2.2-2.8 4.0=100 HB VAL 57 + H GLN 61 OK 54 97 100 56 4.3-4.8 2.1/9298=21, 1954/4.5=16...(6) HG3 PRO 58 + H GLN 61 OK 43 60 100 72 3.8-4.3 2.3/10981=50...(5) HB VAL 112 - H GLN 61 far 0 89 0 - 9.1-14.3 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 2 assignments used, quality = 1.00: * HG2 GLN 61 + H GLN 61 OK 100 100 100 100 2.5-4.6 4.5=100 HB3 PRO 113 - H GLN 61 far 0 99 0 - 9.7-16.3 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 2.8-4.6 4.5=100 HB3 PRO 58 + H GLN 61 OK 97 100 100 97 4.3-4.8 1.8/10981=68, 9331=48...(9) HG3 GLU 55 - H GLN 61 far 0 89 0 - 9.2-13.9 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...(11) 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 5 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.3-5.3 4.4=100 HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.3-4.6 4.4=100 HB VAL 57 + HE21 GLN 61 OK 99 99 100 100 3.0-5.9 2.1/9376=98, 2.1/9300=82...(10) HG3 PRO 58 - HE21 GLN 61 far 10 68 15 - 5.2-8.4 HB VAL 126 - HE21 GLN 61 far 0 99 0 - 9.3-15.1 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 5 assignments used, quality = 1.00: * HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.3-4.6 4.4=100 HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.3-5.3 4.4=100 HB VAL 57 + HE21 GLN 61 OK 97 97 100 100 3.0-5.9 2.1/9376=98, 2.1/9300=82...(10) HG3 PRO 58 - HE21 GLN 61 far 9 60 15 - 5.2-8.4 HB VAL 126 - HE21 GLN 61 far 0 100 0 - 9.3-15.1 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 2.2-3.8 3.5=100 HG3 GLU 55 - HE21 GLN 61 far 4 89 5 - 5.1-10.3 HB3 PRO 58 - HE21 GLN 61 far 0 100 0 - 7.1-9.8 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 - 6.2-10.5 H LEU 119 - HE21 GLN 61 far 0 89 0 - 9.2-13.9 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 2.2-4.9 4.4=100 HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.9-5.4 4.4=100 HB VAL 57 + HE22 GLN 61 OK 94 99 95 100 1.8-6.5 2.1/9371=88, ~9376=76...(11) HG3 PRO 58 - HE22 GLN 61 lone 4 68 30 19 4.0-8.1 1866/3.5=11, 6755/5.9=8 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 1.9-5.4 4.4=100 HB2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.2-4.9 4.4=100 HB VAL 57 + HE22 GLN 61 OK 92 97 95 100 1.8-6.5 2.1/9371=88, ~9376=76...(11) HG3 PRO 58 - HE22 GLN 61 poor 18 60 30 - 4.0-8.1 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 2 assignments used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.2-3.8 3.5=100 HB3 PRO 113 - HE22 GLN 61 far 0 99 0 - 9.5-17.5 Violated in 3 structures by 0.01 A. Peak 6777 from nnoeabs.peaks (2.41, 7.56, 111.48 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.1-3.9 3.5=100 HG3 GLU 55 - HE22 GLN 61 far 0 89 0 - 5.2-11.8 HB3 PRO 58 - HE22 GLN 61 far 0 100 0 - 5.7-9.8 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 - 5.6-12.0 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 1880/3.9=69...(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 - 7.0-14.7 HA ALA 108 - H LEU 62 far 0 100 0 - 8.4-13.8 HA THR 25 - H LEU 62 far 0 97 0 - 9.3-40.8 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 95 100 100 95 2.3-3.4 4.6=77, 3.0/6787=43...(9) * HB2 GLN 61 + H LEU 62 OK 94 100 100 94 2.3-4.2 4.6=77, 3.0/6787=43...(10) HB VAL 57 + H LEU 62 OK 92 99 100 94 3.7-4.9 2.1/9296=56, ~9305=44...(9) HG3 PRO 58 - H LEU 62 far 0 68 0 - 5.7-6.8 HB VAL 112 - H LEU 62 far 0 83 0 - 9.3-13.5 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 95 100 100 95 2.3-3.4 4.6=76, 3.0/6787=42...(9) HB2 GLN 61 + H LEU 62 OK 94 100 100 94 2.3-4.2 4.6=76, 3.0/6787=42...(10) HB VAL 57 + H LEU 62 OK 90 97 100 93 3.7-4.9 2.1/9296=56, ~9305=43...(9) HG3 PRO 58 - H LEU 62 far 0 60 0 - 5.7-6.8 HB VAL 112 - H LEU 62 far 0 89 0 - 9.3-13.5 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 2 assignments used, quality = 1.00: * HG2 GLN 61 + H LEU 62 OK 100 100 100 100 3.7-4.9 1944/3.6=89...(9) HB3 PRO 113 - H LEU 62 far 0 99 0 - 9.2-15.4 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 3.1-4.8 1953/3.6=99, 1.8/6787=97...(12) HB3 PRO 58 + H LEU 62 OK 98 100 100 98 6.1-7.0 9331/3.9=78, 1.8/9333=46...(7) HG3 GLU 55 - H LEU 62 far 0 89 0 - 8.2-12.8 Violated in 0 structures by 0.00 A. Peak 6791 from nnoeabs.peaks (3.85, 7.43, 120.60 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + H LEU 62 OK 100 100 100 100 2.8-2.9 2.9=100 HD3 PRO 58 - H LEU 62 far 0 68 0 - 5.2-6.7 HA LEU 123 - H LEU 62 far 0 100 0 - 9.9-11.3 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 5 assignments used, quality = 1.00: * HB2 LEU 62 + H LEU 62 OK 100 100 100 100 2.3-3.6 3.9=100 HG3 PRO 58 - H LEU 62 far 0 92 0 - 5.7-6.8 QE MET 11 - H LEU 62 far 0 90 0 - 8.1-40.0 HB VAL 118 - H LEU 62 far 0 100 0 - 8.1-10.2 HB3 GLU 55 - H LEU 62 far 0 92 0 - 9.2-12.1 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 2.3-3.6 3.9=100 QG2 THR 115 - H LEU 62 far 0 97 0 - 7.9-11.7 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 3 assignments used, quality = 1.00: * HG LEU 62 + H LEU 62 OK 100 100 100 100 2.0-2.8 2.1/6795=59, 2.1/2005=54...(17) HG LEU 119 - H LEU 62 far 0 68 0 - 6.5-9.1 HD2 LYS 26 - H LEU 62 far 0 96 0 - 10.0-42.7 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 2.7-4.0 2.1/6794=79, 1998/2.9=75...(14) QD2 LEU 100 - H LEU 62 far 10 100 10 - 4.7-6.7 Violated in 0 structures by 0.00 A. Peak 6796 from nnoeabs.peaks (0.91, 7.43, 120.60 ppm; 3.60 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + H LEU 62 OK 100 100 100 100 2.9-3.9 2.1/6794=67, 2005=62...(15) QG2 VAL 63 + H LEU 62 OK 81 100 90 90 3.3-4.8 6810/6797=42...(16) QD1 LEU 49 - H LEU 62 far 0 100 0 - 5.2-8.9 QD1 LEU 119 - H LEU 62 far 0 63 0 - 5.7-7.7 QG1 VAL 118 - H LEU 62 far 0 93 0 - 6.3-8.4 QD2 LEU 48 - H LEU 62 far 0 100 0 - 6.8-8.5 QD1 LEU 48 - H LEU 62 far 0 97 0 - 6.9-9.6 QD2 LEU 123 - H LEU 62 far 0 60 0 - 8.0-11.0 QG2 VAL 112 - H LEU 62 far 0 97 0 - 8.2-11.9 QD1 LEU 123 - H LEU 62 far 0 93 0 - 9.9-11.4 Violated in 1 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 2.4-2.7 4.2=87, 6806/3.9=46...(13) H LEU 122 - H LEU 62 far 0 87 0 - 9.9-11.2 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 3.9-4.9 1880/6806=98...(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 5 assignments used, quality = 1.00: * HA SER 60 + H VAL 63 OK 100 100 100 100 3.1-3.7 1901=86, 2020/6812=71...(10) HA LEU 103 - H VAL 63 far 0 99 0 - 6.8-9.0 HA LEU 119 - H VAL 63 far 0 90 0 - 7.2-8.4 HB3 SER 99 - H VAL 63 far 0 100 0 - 9.2-11.9 HA GLN 68 - H VAL 63 far 0 90 0 - 9.9-11.0 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...(11) H LEU 62 + H VAL 63 OK 94 95 100 100 2.4-2.7 4.2=98, 3.9/6806=50...(13) HE22 GLN 104 - H VAL 63 far 10 99 10 - 4.9-8.4 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 4 assignments used, quality = 1.00: * HA GLN 61 + H VAL 63 OK 100 100 100 100 3.9-4.5 3.6/6797=92, 9379/3.7=84...(6) HA ALA 108 - H VAL 63 far 0 100 0 - 7.4-13.4 HA ALA 110 - H VAL 63 far 0 100 0 - 7.4-14.3 HA THR 25 - H VAL 63 far 0 97 0 - 9.9-39.0 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 2.4-2.7 6797=100, 3.9/6806=50...(13) H GLN 61 + H VAL 63 OK 90 95 100 95 3.9-4.1 3.9/6797=53, 3.6/6801=47...(11) HE22 GLN 104 - H VAL 63 far 10 99 10 - 4.9-8.4 Violated in 0 structures by 0.00 A. Peak 6805 from nnoeabs.peaks (3.85, 8.20, 118.17 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + H VAL 63 OK 100 100 100 100 3.5-3.5 3.6=100 HD3 PRO 58 - H VAL 63 far 0 68 0 - 7.6-8.8 HA LEU 123 - H VAL 63 far 0 100 0 - 10.0-11.7 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 4 assignments used, quality = 0.99: * HB2 LEU 62 + H VAL 63 OK 99 100 100 99 2.7-3.7 4.5=79, 3.0/6808=55...(12) QE MET 11 - H VAL 63 far 0 90 0 - 6.3-39.7 HG3 PRO 58 - H VAL 63 far 0 92 0 - 7.7-8.3 HB VAL 118 - H VAL 63 far 0 100 0 - 8.0-9.4 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 2.9-4.0 4.5=100 QG2 THR 115 - H VAL 63 far 0 97 0 - 8.6-12.8 Violated in 0 structures by 0.00 A. Peak 6808 from nnoeabs.peaks (1.65, 8.20, 118.17 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.98: * HG LEU 62 + H VAL 63 OK 98 100 100 98 4.3-4.7 3.0/6806=71...(6) HG LEU 119 - H VAL 63 far 0 68 0 - 7.4-10.4 HB2 LEU 69 - H VAL 63 far 0 81 0 - 9.6-12.4 HD2 LYS 26 - H VAL 63 far 0 96 0 - 9.9-40.6 Violated in 13 structures by 0.05 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 3.4-5.0 9386/2.9=83...(16) * QD2 LEU 62 + H VAL 63 OK 100 100 100 100 4.4-4.9 1998/3.6=74, 2.1/6808=70...(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 1.9-2.8 2033=93, 2.1/6812=68...(17) ! QD1 LEU 62 - H VAL 63 far 15 100 15 - 4.0-4.9 QD1 LEU 49 - H VAL 63 far 0 100 0 - 5.6-9.0 QG1 VAL 118 - H VAL 63 far 0 93 0 - 6.2-7.3 QD1 LEU 119 - H VAL 63 far 0 63 0 - 6.7-8.7 QD1 LEU 48 - H VAL 63 far 0 97 0 - 7.3-10.0 QD2 LEU 48 - H VAL 63 far 0 100 0 - 7.9-9.3 QD2 LEU 123 - H VAL 63 far 0 60 0 - 8.5-11.6 QG2 VAL 112 - H VAL 63 far 0 97 0 - 8.9-12.5 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 - 6.0-8.4 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 4 assignments used, quality = 0.99: * HB VAL 63 + H VAL 63 OK 99 100 100 99 2.2-2.8 2021=77, 2.1/6814=66...(9) HG2 PRO 58 - H VAL 63 far 0 100 0 - 6.0-6.6 QE MET 11 - H VAL 63 far 0 85 0 - 6.3-39.7 HB3 LEU 53 - H VAL 63 far 0 63 0 - 9.2-13.4 Violated in 0 structures by 0.00 A. Peak 6813 from nnoeabs.peaks (0.78, 8.20, 118.17 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * QG1 VAL 63 + H VAL 63 OK 100 100 100 100 3.6-3.8 2027=67, 2.1/6810=65...(9) QD1 LEU 103 + H VAL 63 OK 23 100 25 92 3.7-5.8 11835/2.9=41, ~11832=26...(14) QD2 LEU 49 - H VAL 63 far 0 93 0 - 4.8-7.4 QD1 LEU 122 - H VAL 63 far 0 73 0 - 4.8-7.0 QD2 LEU 119 - H VAL 63 far 0 87 0 - 5.2-9.5 QD2 LEU 122 - H VAL 63 far 0 100 0 - 5.3-8.0 QD1 LEU 53 - H VAL 63 far 0 97 0 - 6.0-11.3 QD1 LEU 96 - H VAL 63 far 0 97 0 - 7.4-9.0 Violated in 16 structures by 0.13 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 1.9-2.8 2033=93, 2.1/6812=68...(18) QD1 LEU 62 - H VAL 63 far 15 100 15 - 4.0-4.9 QD1 LEU 49 - H VAL 63 far 0 100 0 - 5.6-9.0 QG1 VAL 118 - H VAL 63 far 0 97 0 - 6.2-7.3 QD1 LEU 48 - H VAL 63 far 0 95 0 - 7.3-10.0 QD2 LEU 48 - H VAL 63 far 0 100 0 - 7.9-9.3 QD2 LEU 123 - H VAL 63 far 0 68 0 - 8.5-11.6 QG2 VAL 112 - H VAL 63 far 0 95 0 - 8.9-12.5 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 = 1.00: * H ASP 64 + H VAL 63 OK 100 100 100 100 2.5-2.8 6822=80, 6826/6814=54...(12) H VAL 112 - H VAL 63 far 0 73 0 - 8.6-12.1 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 2 assignments used, quality = 1.00: * H THR 65 + H VAL 63 OK 100 100 100 100 3.7-4.2 6835=100, 6837/6815=100...(13) H LYS 26 - H VAL 63 far 0 97 0 - 10.0-37.5 Violated in 0 structures by 0.00 A. Peak 6817 from nnoeabs.peaks (7.96, 7.96, 120.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 64 + H ASP 64 OK 100 100 - 100 Peak 6818 from nnoeabs.peaks (4.01, 7.96, 120.19 ppm; 4.90 A): 1 out of 4 assignments used, quality = 0.99: * HA SER 60 + H ASP 64 OK 99 100 100 99 3.4-4.5 10978/6825=70...(8) HA GLN 68 - H ASP 64 far 0 90 0 - 8.0-9.4 HA LEU 103 - H ASP 64 far 0 99 0 - 8.9-11.2 HA LEU 119 - H ASP 64 far 0 90 0 - 9.5-10.7 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 4 assignments used, quality = 1.00: * HA GLN 61 + H ASP 64 OK 100 100 100 100 3.5-4.0 2053/3.9=70...(10) HA THR 25 - H ASP 64 far 0 97 0 - 8.4-36.5 HA ALA 108 - H ASP 64 far 0 100 0 - 8.9-15.4 HA ALA 110 - H ASP 64 far 0 100 0 - 9.3-16.7 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 4.2-4.7 6797/6815=96...(6) H GLN 61 + H ASP 64 OK 94 95 100 100 4.5-5.1 2.8/6819=98, 3.6/6818=91...(5) HE22 GLN 104 + H ASP 64 OK 74 99 75 100 5.2-9.1 10078/6825=96, 10077/6826=95 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 2.5-2.8 6815=100, 6814/6826=62...(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 3.5-3.6 3.6=100 HB2 HIS 67 + H ASP 64 OK 70 73 95 100 4.7-6.5 ~2046=69, ~2046=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 4 assignments used, quality = 1.00: * HB VAL 63 + H ASP 64 OK 100 100 100 100 2.2-2.6 2026=93, 2.1/6826=82...(16) QE MET 11 - H ASP 64 far 4 85 5 - 4.6-38.3 HG2 PRO 58 - H ASP 64 far 0 100 0 - 6.7-7.3 HB3 MET 11 - H ASP 64 far 0 100 0 - 9.2-44.5 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 9 assignments used, quality = 1.00: * QG1 VAL 63 + H ASP 64 OK 100 100 100 100 2.4-3.7 2.1/6826=81, 4.3=75...(18) QD1 LEU 103 - H ASP 64 far 0 100 0 - 5.5-8.0 QD2 LEU 49 - H ASP 64 far 0 93 0 - 5.5-7.5 QD1 LEU 122 - H ASP 64 far 0 73 0 - 6.2-8.7 QD2 LEU 122 - H ASP 64 far 0 100 0 - 6.9-9.3 QD2 LEU 119 - H ASP 64 far 0 87 0 - 7.4-11.5 QD1 LEU 53 - H ASP 64 far 0 97 0 - 7.6-12.6 QD1 LEU 96 - H ASP 64 far 0 97 0 - 7.9-9.2 QD1 ILE 32 - H ASP 64 far 0 99 0 - 8.8-22.2 Violated in 0 structures by 0.00 A. Peak 6826 from nnoeabs.peaks (0.91, 7.96, 120.19 ppm; 3.48 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 63 + H ASP 64 OK 100 100 100 100 3.4-4.0 2.1/6825=56, 2.1/6824=54...(19) QD1 LEU 62 - H ASP 64 far 0 100 0 - 6.1-7.0 QD1 LEU 49 - H ASP 64 far 0 100 0 - 6.1-9.5 QD1 LEU 48 - H ASP 64 far 0 95 0 - 6.6-9.2 QD2 LEU 48 - H ASP 64 far 0 100 0 - 7.4-8.7 QG1 VAL 118 - H ASP 64 far 0 97 0 - 8.0-9.0 QD2 LEU 123 - H ASP 64 far 0 68 0 - 9.7-13.3 QD1 LEU 22 - H ASP 64 far 0 90 0 - 9.7-35.9 Violated in 19 structures by 0.25 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 2.7-2.8 2.9=100 HA PRO 58 - H ASP 64 far 0 100 0 - 8.9-9.6 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 2.7-3.0 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 2.2-2.4 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 2 assignments used, quality = 1.00: * H THR 65 + H ASP 64 OK 100 100 100 100 2.6-2.9 4.2=100 H LYS 26 - H ASP 64 far 0 97 0 - 8.1-35.1 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 3.9-4.8 3.5/6837=100...(6) H ASN 59 - H ASP 64 far 0 99 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 6832 from nnoeabs.peaks (8.38, 8.38, 118.14 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 65 + H THR 65 OK 100 100 - 100 H ASP 35 + H ASP 35 OK 96 96 - 100 Peak 6833 from nnoeabs.peaks (4.28, 8.38, 118.14 ppm; 4.69 A): 2 out of 11 assignments used, quality = 1.00: * HA GLN 61 + H THR 65 OK 99 100 100 99 3.8-4.9 2053/6840=65...(7) HA LYS 36 + H ASP 35 OK 95 96 100 99 5.0-5.1 3.0/6387=89, ~6388=44...(9) HA LYS 19 - H ASP 35 far 0 89 0 - 6.2-24.6 HA ARG 23 - H ASP 35 far 0 97 0 - 6.4-24.5 HA THR 25 - H ASP 35 far 0 93 0 - 6.7-22.8 HA ALA 16 - H ASP 35 far 0 97 0 - 7.0-30.6 HA LYS 31 - H ASP 35 far 0 97 0 - 8.1-9.3 HA THR 25 - H THR 65 far 0 97 0 - 8.7-36.3 HA LEU 22 - H ASP 35 far 0 90 0 - 9.2-28.2 HA LYS 26 - H ASP 35 far 0 91 0 - 9.2-19.7 HA ALA 15 - H ASP 35 far 0 97 0 - 9.3-31.8 Violated in 0 structures by 0.00 A. Peak 6834 from nnoeabs.peaks (3.85, 8.38, 118.14 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.99: * HA LEU 62 + H THR 65 OK 98 100 100 98 3.5-3.9 3.6/6835=49...(13) HB3 SER 33 + H ASP 35 OK 45 96 50 93 2.3-5.3 10864/6380=56...(7) HD3 PRO 58 - H THR 65 far 0 68 0 - 8.7-10.8 HA LEU 123 - H THR 65 far 0 100 0 - 9.5-11.5 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 3.7-4.2 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 3.8-4.9 3.6/6837=100...(15) HB2 HIS 67 + H THR 65 OK 73 73 100 100 5.1-6.3 3.8/6845=90, 2102/3.6=61...(10) 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 = 0.93: * H ASP 64 + H THR 65 OK 93 100 100 93 2.6-2.9 4.2=45, 3.9/6840=30...(11) H ILE 37 - H ASP 35 far 5 95 5 - 4.1-4.5 H SER 38 - H ASP 35 far 0 71 0 - 4.9-8.9 H SER 51 - H THR 65 far 0 71 0 - 9.9-10.9 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 3.4-3.6 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 = 1.00: HB3 ASP 35 + H ASP 35 OK 96 98 100 98 2.2-3.6 1.8/6383=77, 961/3.0=61...(7) * HB2 ASP 64 + H THR 65 OK 93 100 100 93 2.4-4.2 1.8/6840=52, 2052=46...(9) HB2 TYR 76 - H ASP 35 far 0 95 0 - 9.1-13.3 HB3 ASP 78 - H ASP 35 far 0 90 0 - 9.9-17.0 Violated in 1 structures by 0.00 A. Peak 6840 from nnoeabs.peaks (2.80, 8.38, 118.14 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 64 + H THR 65 OK 100 100 100 100 2.9-4.0 2058=96, 3.9/6837=61...(9) HB3 ASP 71 - H ASP 35 far 0 91 0 - 8.9-13.7 HB3 ASP 71 - H THR 65 far 0 96 0 - 9.4-11.6 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 6 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 - 6.8-7.9 HA VAL 20 - H ASP 35 far 0 78 0 - 7.7-25.7 HA LEU 100 - H THR 65 far 0 98 0 - 8.2-9.1 HB3 SER 107 - H THR 65 far 0 97 0 - 9.0-16.0 HB2 SER 51 - H THR 65 far 0 63 0 - 9.7-11.7 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 2 assignments used, quality = 0.94: * HB THR 65 + H THR 65 OK 94 100 100 94 2.5-3.1 4.0=72, 6853/3.5=40...(10) HA GLN 104 - H THR 65 far 0 76 0 - 7.9-10.9 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 3.7-3.8 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 2.3-2.8 3.5=100 H ASN 59 - H THR 65 far 0 99 0 - 9.3-10.3 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 3.6-4.4 6862=90, 6864/3.5=80...(14) H SER 60 - H THR 65 far 0 97 0 - 7.6-8.5 H SER 50 - H THR 65 far 0 100 0 - 8.8-10.1 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 2 assignments used, quality = 0.99: * HA LEU 62 + H GLY 66 OK 99 100 100 99 3.0-4.5 10993/4.4=65...(11) HA LEU 123 - H GLY 66 far 0 100 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 6848 from nnoeabs.peaks (3.37, 8.90, 110.50 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 63 + H GLY 66 OK 100 100 100 100 3.0-4.0 2019=74, 9386/9384=53...(19) HB2 HIS 67 + H GLY 66 OK 63 73 90 96 4.4-6.0 3.8/6864=69, 4.4/6877=44...(10) HB3 TYR 72 - H GLY 66 far 0 68 0 - 9.6-10.9 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 2.3-2.8 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 5 assignments used, quality = 1.00: * HA THR 65 + H GLY 66 OK 100 100 100 100 3.4-3.6 3.6=100 HA LEU 100 - H GLY 66 far 0 98 0 - 6.3-7.2 HA GLN 68 - H GLY 66 far 0 76 0 - 6.5-7.1 HA SER 50 - H GLY 66 far 0 68 0 - 9.1-11.0 HB3 SER 107 - H GLY 66 far 0 97 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 6853 from nnoeabs.peaks (4.07, 8.90, 110.50 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 65 + H GLY 66 OK 99 100 100 99 2.2-3.1 4.5=86, 6842/3.5=65...(15) HA GLN 104 - H GLY 66 far 0 76 0 - 7.7-10.3 HA LEU 122 - H GLY 66 far 0 90 0 - 7.7-10.2 HA LEU 96 - H GLY 66 far 0 73 0 - 9.2-10.9 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 3.0-4.2 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 3 assignments used, quality = 1.00: * HA2 GLY 66 + H GLY 66 OK 100 100 100 100 2.7-2.9 2.9=100 HA3 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.3 2.9=100 HD2 PRO 58 - H GLY 66 far 0 97 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6856 from nnoeabs.peaks (3.63, 8.90, 110.50 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.3 2.9=100 HA2 GLY 66 + H GLY 66 OK 100 100 100 100 2.7-2.9 2.9=100 HD2 PRO 58 - H GLY 66 far 0 92 0 - 9.9-12.2 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 2.3-2.9 4.1=100 H SER 50 - H GLY 66 far 0 100 0 - 8.0-9.5 H SER 60 - H GLY 66 far 0 97 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 6859 from nnoeabs.peaks (8.65, 8.65, 120.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 67 + H HIS 67 OK 100 100 - 100 H HIS 8 + H HIS 8 OK 76 76 - 100 Peak 6860 from nnoeabs.peaks (3.37, 8.65, 120.06 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.99: * HA VAL 63 + H HIS 67 OK 95 100 100 95 3.0-4.4 9386/9461=48...(12) HB2 HIS 67 + H HIS 67 OK 73 73 100 100 2.1-3.4 3.8=100 HB3 TYR 72 - H HIS 67 far 0 68 0 - 8.8-9.9 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 1 assignment used, quality = 1.00: * HA ASP 64 + H HIS 67 OK 100 100 100 100 3.2-4.3 2044=100, 2046/3.8=73...(10) 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 1 assignment used, quality = 1.00: * H THR 65 + H HIS 67 OK 100 100 100 100 3.6-4.4 6845=100, 3.5/6864=84...(14) 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 4 assignments used, quality = 1.00: * HA THR 65 + H HIS 67 OK 100 100 100 100 4.1-5.0 3.6/6864=97, 2.9/6845=92...(11) HA LEU 100 + H HIS 67 OK 93 98 95 100 5.9-7.4 3258/9461=96...(5) HA GLN 68 + H HIS 67 OK 76 76 100 100 5.0-5.4 2.9/6872=100...(7) HB3 SER 107 - H HIS 67 far 0 97 0 - 9.3-14.8 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 2.3-2.9 6857=82, 3.5/6845=35...(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 3.5-3.6 3.6=100 HA3 GLY 66 + H HIS 67 OK 100 100 100 100 2.6-3.0 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 2.6-3.0 3.6=100 HA2 GLY 66 + H HIS 67 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6867 from nnoeabs.peaks (4.22, 8.65, 120.06 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 67 + H HIS 67 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 29 - H HIS 67 far 0 97 0 - 9.5-23.5 HA ALA 28 - H HIS 67 far 0 83 0 - 9.6-27.7 HB THR 25 - H HIS 67 far 0 90 0 - 9.7-34.2 HA SER 94 - H HIS 8 far 0 64 0 - 9.9-62.8 Violated in 0 structures by 0.00 A. Peak 6868 from nnoeabs.peaks (3.34, 8.65, 120.06 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HB2 HIS 67 + H HIS 67 OK 100 100 100 100 2.1-3.4 3.8=100 HA VAL 63 + H HIS 67 OK 64 73 100 87 3.0-4.4 9386/9461=33...(11) HB3 TYR 72 - H HIS 67 far 0 100 0 - 8.8-9.9 HB3 CYS 73 - H HIS 67 far 0 81 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 6869 from nnoeabs.peaks (3.41, 8.65, 120.06 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + H HIS 67 OK 100 100 100 100 2.1-3.5 3.8=100 HA VAL 126 - H HIS 67 far 0 63 0 - 9.4-10.9 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 3.6-4.8 2096/2.9=78...(9) QD TYR 72 - H HIS 67 far 0 100 0 - 7.7-8.9 Violated in 8 structures by 0.03 A. Peak 6872 from nnoeabs.peaks (7.86, 8.65, 120.06 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + H HIS 67 OK 100 100 100 100 2.4-2.8 6880=95, 6883/3.8=36...(17) H GLU 102 - H HIS 67 far 0 95 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 6873 from nnoeabs.peaks (8.30, 8.65, 120.06 ppm; 5.47 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 69 + H HIS 67 OK 100 100 100 100 4.0-4.9 6915=100, 6916/2.9=92...(16) H TYR 72 - H HIS 67 far 0 76 0 - 7.8-8.8 H LEU 49 - H HIS 67 far 0 100 0 - 8.1-10.3 H VAL 126 - H HIS 67 far 0 99 0 - 9.5-11.3 H SER 99 - H HIS 67 far 0 99 0 - 9.8-11.2 H LEU 96 - H HIS 67 far 0 73 0 - 10.0-11.9 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 3.9-5.4 2044/6872=72...(5) Violated in 1 structures by 0.01 A. Peak 6876 from nnoeabs.peaks (3.97, 7.86, 121.44 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.99: * HA THR 65 + H GLN 68 OK 97 100 100 97 3.2-4.3 2064=45, 2140/3.7=38...(16) HA GLN 68 + H GLN 68 OK 76 76 100 100 2.7-2.9 2.9=100 HA GLU 91 - H ALA 88 far 0 75 0 - 6.7-7.2 HA LEU 100 - H GLN 68 far 0 98 0 - 8.4-9.6 HB3 SER 94 - H ALA 88 far 0 80 0 - 9.9-12.0 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 3.7-4.5 6864/6872=83...(10) H THR 83 - H ALA 88 far 0 62 0 - 8.4-9.3 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 3.5-4.8 3.6/6872=100...(11) HA3 GLY 66 + H GLN 68 OK 100 100 100 100 4.1-5.1 3.6/6872=100...(12) 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 4.1-5.1 3.6/6872=100...(12) HA2 GLY 66 + H GLN 68 OK 100 100 100 100 3.5-4.8 3.6/6872=100...(11) 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 2.4-2.8 6872=100, 3.8/6883=38...(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 5 assignments used, quality = 1.00: * HA HIS 67 + H GLN 68 OK 100 100 100 100 3.4-3.6 3.6=100 HA ALA 88 + H ALA 88 OK 70 70 100 100 2.8-2.9 2.9=100 HA ALA 29 - H GLN 68 far 0 97 0 - 7.5-21.2 HA ALA 28 - H GLN 68 far 0 83 0 - 8.4-25.3 HB THR 25 - H GLN 68 far 0 90 0 - 9.3-31.7 Violated in 0 structures by 0.00 A. Peak 6882 from nnoeabs.peaks (3.34, 7.86, 121.44 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.99: * HB2 HIS 67 + H GLN 68 OK 99 100 100 99 2.3-3.8 4.4=75, 1.8/6883=72...(11) HB3 PHE 89 + H ALA 88 OK 36 76 50 95 4.6-5.2 3.5/7193=56, 4.7/7185=31...(12) HB2 PHE 89 + H ALA 88 OK 33 44 80 95 4.5-5.2 3.5/7193=56, 4.7/7185=31...(12) HA VAL 63 - H GLN 68 far 0 73 0 - 5.5-7.0 HB3 TYR 72 - H GLN 68 far 0 100 0 - 6.4-8.2 HB3 CYS 73 - H GLN 68 far 0 81 0 - 8.4-10.7 HB3 CYS 73 - H ALA 88 far 0 58 0 - 10.0-12.4 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 = 0.98: * HB3 HIS 67 + H GLN 68 OK 98 100 100 98 2.4-3.9 4.4=83, 3.8/6872=60...(10) HA VAL 126 - H GLN 68 far 0 63 0 - 9.0-11.1 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 7 assignments used, quality = 1.00: * HA GLN 68 + H GLN 68 OK 100 100 100 100 2.7-2.9 2.9=100 HA THR 65 + H GLN 68 OK 72 76 100 95 3.2-4.3 3.6/6877=35, 2064=30...(16) HA GLU 91 - H ALA 88 far 0 72 0 - 6.7-7.2 HA SER 60 - H GLN 68 far 0 90 0 - 9.1-10.5 HA ARG 135 - H ALA 88 far 0 52 0 - 9.3-11.6 HA ILE 37 - H GLN 68 far 0 65 0 - 9.6-12.7 HB3 SER 94 - H ALA 88 far 0 58 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 6887 from nnoeabs.peaks (2.22, 7.86, 121.44 ppm; 3.67 A): 2 out of 11 assignments used, quality = 1.00: * HB2 GLN 68 + H GLN 68 OK 100 100 100 100 2.1-3.6 3.7=94, 3.0/6890=55...(19) HG2 GLN 68 + H GLN 68 OK 96 96 100 100 1.8-4.5 2150=76, 1.8/6890=71...(17) HG2 GLU 91 - H ALA 88 far 8 77 10 - 4.5-5.6 HB3 GLN 104 - H GLN 68 far 0 100 0 - 7.6-11.6 HB2 GLN 82 - H ALA 88 far 0 65 0 - 7.6-9.1 HB3 GLU 97 - H GLN 68 far 0 100 0 - 8.1-11.5 HB3 GLU 128 - H ALA 88 far 0 79 0 - 8.5-11.1 HB2 GLN 104 - H GLN 68 far 0 57 0 - 8.7-12.1 HB3 LEU 96 - H GLN 68 far 0 89 0 - 9.3-11.7 HB VAL 133 - H ALA 88 far 0 42 0 - 9.6-11.8 HB2 GLN 101 - H GLN 68 far 0 95 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 6888 from nnoeabs.peaks (2.18, 7.86, 121.44 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 68 + H GLN 68 OK 100 100 100 100 2.4-3.7 3.7=100 HB3 LEU 69 + H GLN 68 OK 24 95 30 84 4.0-6.5 3.7/6893=49, 4.4/6894=30...(12) HB2 GLN 82 - H ALA 88 far 0 52 0 - 7.6-9.1 HB2 GLN 104 - H GLN 68 far 0 97 0 - 8.7-12.1 HB VAL 133 - H ALA 88 far 0 73 0 - 9.6-11.8 HB2 GLN 101 - H GLN 68 far 0 63 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 6889 from nnoeabs.peaks (2.23, 7.86, 121.44 ppm; 3.63 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 68 + H GLN 68 OK 100 100 100 100 1.8-4.5 2150=79, 1.8/6890=70...(17) HB2 GLN 68 + H GLN 68 OK 95 96 100 100 2.1-3.6 3.7=91, 3.0/6890=53...(17) HG2 GLU 91 - H ALA 88 far 4 80 5 - 4.5-5.6 HB3 GLN 104 - H GLN 68 far 0 98 0 - 7.6-11.6 HB2 GLN 82 - H ALA 88 far 0 42 0 - 7.6-9.1 HB3 GLU 97 - H GLN 68 far 0 92 0 - 8.1-11.5 HB3 GLU 128 - H ALA 88 far 0 79 0 - 8.5-11.1 HB3 LEU 96 - H GLN 68 far 0 100 0 - 9.3-11.7 HB2 GLN 101 - H GLN 68 far 0 71 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 6890 from nnoeabs.peaks (2.32, 7.86, 121.44 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 68 + H GLN 68 OK 100 100 100 100 2.5-4.3 2159=87, 1.8/2150=69...(15) HB VAL 77 - H ALA 88 far 0 74 0 - 7.4-9.7 HB3 GLN 101 - H GLN 68 far 0 76 0 - 9.0-13.6 Violated in 9 structures by 0.13 A. Peak 6893 from nnoeabs.peaks (8.30, 7.86, 121.44 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 69 + H GLN 68 OK 100 100 100 100 2.2-3.0 6917=83, 6916/3.6=45...(15) H TYR 72 - H GLN 68 far 0 76 0 - 5.7-6.9 H LEU 49 - H GLN 68 far 0 100 0 - 7.9-9.8 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 4 assignments used, quality = 1.00: * H LEU 70 + H GLN 68 OK 100 100 100 100 3.8-4.8 6937=89, 6938/2.9=78...(16) H VAL 132 - H ALA 88 far 0 78 0 - 7.8-8.6 H ALA 12 - H GLN 68 far 0 81 0 - 9.2-40.4 H LEU 100 - H GLN 68 far 0 78 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 6895 from nnoeabs.peaks (6.86, 6.86, 112.26 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE21 GLN 68 + HE21 GLN 68 OK 100 100 - 100 HE21 GLN 27 + HE21 GLN 27 OK 67 67 - 100 HD21 ASN 121 + HD21 ASN 121 OK 38 38 - 100 Peak 6896 from nnoeabs.peaks (7.86, 6.86, 112.26 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 68 + HE21 GLN 68 OK 99 100 100 99 3.5-4.5 6890/3.5=65, 2150/3.5=62...(15) H GLU 102 - HD21 ASN 121 far 0 45 0 - 6.8-10.9 Violated in 8 structures by 0.05 A. Peak 6897 from nnoeabs.peaks (3.99, 6.86, 112.26 ppm; 5.08 A): 2 out of 14 assignments used, quality = 1.00: * HA GLN 68 + HE21 GLN 68 OK 100 100 100 100 4.1-5.9 5.2=92, 2123/3.5=85...(19) HA THR 65 + HE21 GLN 68 OK 75 76 100 99 1.9-4.2 11023/3.5=42...(14) HB3 SER 99 - HD21 ASN 121 poor 14 46 70 43 3.0-6.7 10270/11533=15...(6) HA LYS 95 - HD21 ASN 121 far 0 29 0 - 7.7-11.3 HB2 SER 124 - HD21 ASN 121 far 0 52 0 - 7.7-9.4 HA LEU 103 - HD21 ASN 121 far 0 33 0 - 8.2-10.8 HA ILE 37 - HE21 GLN 68 far 0 65 0 - 8.4-13.1 HB2 SER 106 - HD21 ASN 121 far 0 28 0 - 8.4-13.1 HB3 SER 106 - HD21 ASN 121 far 0 43 0 - 8.8-13.5 HA VAL 20 - HE21 GLN 27 far 0 70 0 - 9.0-19.0 HA SER 50 - HE21 GLN 68 far 0 100 0 - 9.5-14.4 HA GLN 127 - HE21 GLN 68 far 0 73 0 - 9.5-15.6 HA SER 60 - HE21 GLN 68 far 0 90 0 - 9.9-12.6 HB3 SER 51 - HE21 GLN 68 far 0 96 0 - 10.0-14.3 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 7 assignments used, quality = 1.00: * HB2 GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.9-4.3 4.6=78, 3.7/6896=51...(17) HG2 GLN 68 + HE21 GLN 68 OK 96 96 100 100 2.2-3.5 3.5=100 HB3 GLU 102 - HD21 ASN 121 far 0 48 0 - 6.2-9.4 HB3 LEU 96 - HD21 ASN 121 far 0 41 0 - 9.5-12.3 HB3 GLN 104 - HE21 GLN 68 far 0 100 0 - 9.9-13.3 HB2 GLN 101 - HD21 ASN 121 far 0 45 0 - 9.9-14.9 HB3 LEU 96 - HE21 GLN 68 far 0 89 0 - 9.9-14.8 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 3 assignments used, quality = 1.00: * HB3 GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.9-4.6 4.6=100 HB3 LEU 69 + HE21 GLN 68 OK 66 95 70 100 5.7-8.8 ~11022=69, 3.7/6923=64...(14) HB2 GLN 101 - HD21 ASN 121 far 0 26 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 6900 from nnoeabs.peaks (2.23, 6.86, 112.26 ppm; 4.20 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 68 + HE21 GLN 68 OK 100 100 100 100 2.2-3.5 3.5=100 HB2 GLN 68 + HE21 GLN 68 OK 95 96 100 100 1.9-4.3 4.6=77, 3.7/6896=51...(16) HB3 GLU 102 - HD21 ASN 121 far 0 52 0 - 6.2-9.4 HB3 LEU 96 - HD21 ASN 121 far 0 51 0 - 9.5-12.3 HB3 GLN 104 - HE21 GLN 68 far 0 98 0 - 9.9-13.3 HB2 GLN 101 - HD21 ASN 121 far 0 30 0 - 9.9-14.9 HB3 LEU 96 - HE21 GLN 68 far 0 100 0 - 9.9-14.8 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 7 assignments used, quality = 1.00: * HG3 GLN 68 + HE21 GLN 68 OK 100 100 100 100 2.2-3.5 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 35 35 100 100 2.1-3.6 3.5=100 HG3 GLU 30 - HE21 GLN 27 poor 13 67 20 - 3.0-12.3 HB3 GLN 101 - HD21 ASN 121 far 0 33 0 - 8.2-14.1 HG2 GLN 27 - HE21 GLN 68 far 0 60 0 - 8.2-30.3 HG3 GLU 30 - HE21 GLN 68 far 0 99 0 - 9.7-25.4 HG2 GLU 44 - HE21 GLN 68 far 0 93 0 - 9.8-13.4 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 5 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 - 4.3-5.9 H LEU 98 - HD21 ASN 121 far 0 32 0 - 8.4-11.5 HE22 GLN 68 - HE21 GLN 27 far 0 70 0 - 8.4-32.2 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 5.0-5.8 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 5 assignments used, quality = 1.00: * HA GLN 68 + HE22 GLN 68 OK 100 100 100 100 5.7-6.6 5.2=100 HA THR 65 + HE22 GLN 68 OK 76 76 100 100 2.8-3.7 ~11016=65, 2140/4.6=64...(14) HB3 SER 51 - HE22 GLN 68 far 0 96 0 - 9.2-13.3 HA ILE 37 - HE22 GLN 68 far 0 65 0 - 9.6-12.5 HA SER 50 - HE22 GLN 68 far 0 100 0 - 9.7-13.8 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 3.3-4.7 4.6=100 HG2 GLN 68 + HE22 GLN 68 OK 96 96 100 100 3.5-4.1 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 3.4-5.0 4.6=100 HB3 LEU 69 + HE22 GLN 68 OK 61 95 65 100 6.2-9.9 ~11022=78, ~11023=69...(11) 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 3.5-4.1 3.5=100 HB2 GLN 68 + HE22 GLN 68 OK 96 96 100 100 3.3-4.7 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 4 assignments used, quality = 1.00: * HG3 GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 27 - HE22 GLN 68 far 0 60 0 - 8.2-30.1 HG2 GLU 44 - HE22 GLN 68 far 0 93 0 - 9.3-12.3 HG3 GLU 30 - HE22 GLN 68 far 0 99 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 6910 from nnoeabs.peaks (6.86, 7.76, 112.26 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 68 + HE22 GLN 68 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 61 - HE22 GLN 68 far 0 78 0 - 6.3-11.1 HE21 GLN 27 - HE22 GLN 68 far 0 99 0 - 8.4-32.2 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 3.9-5.5 2064/6893=79...(15) HA GLN 68 + H LEU 69 OK 76 76 100 100 3.5-3.6 3.6=100 HA LEU 100 - H LEU 69 far 0 98 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 6913 from nnoeabs.peaks (3.63, 8.30, 120.25 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + H LEU 69 OK 100 100 100 100 3.0-4.0 4.9/6916=90, 3.6/6915=89...(18) HA3 GLY 66 + H LEU 69 OK 100 100 100 100 4.2-5.2 4.9/6916=90, 3.6/6915=89...(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 4.2-5.2 4.9/6916=90, 3.6/6915=89...(17) HA2 GLY 66 + H LEU 69 OK 100 100 100 100 3.0-4.0 4.9/6916=90, 3.6/6915=89...(18) Violated in 0 structures by 0.00 A. Peak 6915 from nnoeabs.peaks (8.65, 8.30, 120.25 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + H LEU 69 OK 100 100 100 100 4.0-4.9 6873=95, 2.9/6916=90...(16) H SER 50 - H LEU 69 far 0 100 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 6916 from nnoeabs.peaks (4.22, 8.30, 120.25 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.93: * HA HIS 67 + H LEU 69 OK 93 100 95 98 3.9-5.0 3.6/6893=57, 6936/3.6=48...(13) HA ALA 29 - H LEU 69 far 0 97 0 - 9.4-21.2 Violated in 14 structures by 0.18 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 2.2-3.0 6893=100, 3.6/6916=51...(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 3 assignments used, quality = 1.00: * HA GLN 68 + H LEU 69 OK 100 100 100 100 3.5-3.6 3.6=100 HA THR 65 + H LEU 69 OK 75 76 100 99 3.9-5.5 3.2/11068=60...(14) HA ILE 37 - H LEU 69 far 0 65 0 - 8.6-11.5 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 5 assignments used, quality = 1.00: * HB2 GLN 68 + H LEU 69 OK 100 100 100 100 2.5-4.0 4.4=100 HG2 GLN 68 + H LEU 69 OK 96 96 100 100 2.0-4.3 2158=89, 1.8/6922=73...(24) HB3 GLU 97 - H LEU 69 far 0 100 0 - 7.2-10.8 HB3 LEU 96 - H LEU 69 far 0 89 0 - 7.7-10.0 HB3 GLN 104 - H LEU 69 far 0 100 0 - 9.5-13.5 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 2.1-4.2 4.4=94, 1.8/2139=82...(19) HB3 LEU 69 + H LEU 69 OK 95 95 100 100 2.0-3.6 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 5 assignments used, quality = 1.00: * HG2 GLN 68 + H LEU 69 OK 100 100 100 100 2.0-4.3 2158=87, 1.8/6922=69...(24) HB2 GLN 68 + H LEU 69 OK 96 96 100 100 2.5-4.0 4.4=95, 3.7/6893=63...(18) HB3 GLU 97 - H LEU 69 far 0 92 0 - 7.2-10.8 HB3 LEU 96 - H LEU 69 far 0 100 0 - 7.7-10.0 HB3 GLN 104 - H LEU 69 far 0 98 0 - 9.5-13.5 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 1.9-3.6 1.8/2158=82, 2123/3.6=76...(19) HB3 GLN 101 - H LEU 69 far 0 76 0 - 9.3-13.8 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 2 assignments used, quality = 1.00: * HE21 GLN 68 + H LEU 69 OK 100 100 100 100 3.9-5.8 6896/6893=94...(13) HE21 GLN 61 - H LEU 69 far 0 78 0 - 8.7-14.2 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 2.8-2.9 2.9=100 HA ASP 47 - H LEU 69 far 0 96 0 - 9.8-11.3 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 3 assignments used, quality = 1.00: * HB2 LEU 69 + H LEU 69 OK 100 100 100 100 2.1-3.6 3.7=100 HD2 LYS 36 - H LEU 69 far 0 100 0 - 8.6-12.8 HD3 LYS 36 - H LEU 69 far 0 100 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 6927 from nnoeabs.peaks (2.16, 8.30, 120.25 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + H LEU 69 OK 100 100 100 100 2.0-3.6 3.7=100 HB3 GLN 68 + H LEU 69 OK 94 95 100 100 2.1-4.2 4.4=87, 1.8/2139=79...(17) HB2 GLU 97 - H LEU 69 far 0 65 0 - 6.7-11.6 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 2.9-4.6 5.2=90, 6943/3.6=65...(16) HG LEU 42 - H LEU 69 far 0 63 0 - 6.1-8.4 HB2 LEU 49 - H LEU 69 far 0 89 0 - 6.2-8.7 Violated in 0 structures by 0.00 A. Peak 6929 from nnoeabs.peaks (1.01, 8.30, 120.25 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + H LEU 69 OK 100 100 100 100 2.4-4.3 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 4 assignments used, quality = 1.00: * QD2 LEU 69 + H LEU 69 OK 100 100 100 100 1.8-4.2 4.9=57, 2.1/6928=51...(22) QD2 LEU 70 + H LEU 69 OK 49 95 55 94 3.3-5.6 11089/6916=46...(10) QG2 ILE 32 - H LEU 69 far 0 92 0 - 6.9-15.5 QD2 LEU 123 - H LEU 69 far 0 92 0 - 8.8-12.5 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 2.3-2.8 3.6=100 H ASP 47 - H LEU 69 far 0 99 0 - 7.9-9.3 H LEU 100 - H LEU 69 far 0 78 0 - 9.3-10.5 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 1 assignment used, quality = 1.00: * H ASP 71 + H LEU 69 OK 100 100 100 100 3.8-4.6 6956/3.6=75, 6957=57...(17) 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 4.0-5.1 3.6/11100=94...(12) HA3 GLY 66 + H LEU 70 OK 100 100 100 100 4.9-5.7 3.6/11100=94...(12) Violated in 0 structures by 0.00 A. Peak 6935 from nnoeabs.peaks (3.63, 8.46, 121.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H LEU 70 OK 100 100 100 100 4.9-5.7 3.6/11100=94...(12) HA2 GLY 66 + H LEU 70 OK 100 100 100 100 4.0-5.1 3.6/11100=94...(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 3.1-4.2 2099=98, 6916/3.6=59...(19) HA SER 94 - H LEU 70 far 0 92 0 - 7.4-10.6 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 3.8-4.8 6894=100, 2.9/6938=82...(16) Violated in 0 structures by 0.00 A. Peak 6938 from nnoeabs.peaks (3.99, 8.46, 121.15 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.99: * HA GLN 68 + H LEU 70 OK 99 100 100 99 4.2-5.0 6956/3.4=56, 2.9/6894=52...(12) HA THR 65 - H LEU 70 far 0 76 0 - 6.1-8.1 HA ILE 37 - H LEU 70 far 0 65 0 - 9.3-12.1 HB3 SER 94 - H LEU 70 far 0 81 0 - 9.8-13.1 Violated in 19 structures by 0.35 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 2.3-2.8 3.6=100 H TYR 72 + H LEU 70 OK 75 76 100 98 3.8-4.5 6974=46, 6973/3.6=44...(20) H LEU 96 - H LEU 70 far 0 73 0 - 7.3-9.8 H VAL 126 - H LEU 70 far 0 99 0 - 8.5-9.7 H LEU 49 - H LEU 70 far 0 100 0 - 8.7-10.8 H SER 99 - H LEU 70 far 0 99 0 - 9.7-11.2 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 3 assignments used, quality = 1.00: * HA LEU 69 + H LEU 70 OK 100 100 100 100 3.5-3.6 3.6=100 HA2 GLY 75 - H LEU 70 far 0 95 0 - 9.6-12.0 HA LYS 24 - H LEU 70 far 0 100 0 - 9.8-34.8 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 = 0.98: * HB2 LEU 69 + H LEU 70 OK 98 100 100 98 2.3-4.0 4.4=60, 2.9/6943=43...(18) Violated in 2 structures by 0.03 A. Peak 6942 from nnoeabs.peaks (2.16, 8.46, 121.15 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + H LEU 70 OK 100 100 100 100 2.6-4.2 4.4=100 HB2 GLU 97 - H LEU 70 poor 16 65 25 - 4.4-9.4 HB3 GLN 68 - H LEU 70 far 5 95 5 - 4.6-6.5 HB2 GLN 104 - H LEU 70 far 0 73 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6943 from nnoeabs.peaks (1.51, 8.46, 121.15 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 69 + H LEU 70 OK 100 100 100 100 2.1-5.2 2.9/6941=81, 2.1/6944=70...(12) HG LEU 42 - H LEU 70 far 0 63 0 - 6.4-8.2 HB2 LEU 49 - H LEU 70 far 0 89 0 - 7.7-10.0 Violated in 14 structures by 0.22 A. Peak 6944 from nnoeabs.peaks (1.01, 8.46, 121.15 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + H LEU 70 OK 100 100 100 100 3.7-4.8 3.2/6941=81, 2.1/6943=80...(13) QG2 VAL 105 - H LEU 70 far 0 100 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 6945 from nnoeabs.peaks (0.87, 8.46, 121.15 ppm; 4.24 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + H LEU 70 OK 100 100 100 100 2.7-4.9 3.0/6941=69, 2.1/6943=64...(14) QD2 LEU 70 + H LEU 70 OK 95 95 100 100 1.9-3.6 2269/2.9=76, 2268=74...(22) QG2 ILE 32 - H LEU 70 far 0 92 0 - 7.4-16.2 QD1 LEU 98 - H LEU 70 far 0 99 0 - 8.5-11.7 QD2 LEU 123 - H LEU 70 far 0 92 0 - 9.4-13.0 QD2 LEU 98 - H LEU 70 far 0 99 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 6946 from nnoeabs.peaks (3.88, 8.46, 121.15 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 100 100 2.7-2.8 2.9=100 HA ALA 46 - H LEU 70 far 0 93 0 - 6.5-8.1 HB2 SER 94 - H LEU 70 far 0 81 0 - 9.2-12.6 HA3 GLY 75 - H LEU 70 far 0 78 0 - 9.6-11.7 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 4 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.9-3.5 3.2=100 HB3 LEU 70 + H LEU 70 OK 100 100 100 100 2.0-3.5 3.2=100 HG LEU 98 - H LEU 70 far 0 100 0 - 9.6-12.2 HG3 ARG 90 - H LEU 70 far 0 81 0 - 10.0-13.8 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 4 assignments used, quality = 1.00: * HB3 LEU 70 + H LEU 70 OK 100 100 100 100 2.0-3.5 3.2=100 HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.9-3.5 3.2=100 HG LEU 98 - H LEU 70 far 0 100 0 - 9.6-12.2 HG3 ARG 90 - H LEU 70 far 0 87 0 - 10.0-13.8 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 1.6-4.6 2.1/6950=87, 5.0=77...(23) HB2 LEU 122 - H LEU 70 far 0 100 0 - 7.5-10.4 HG LEU 122 - H LEU 70 far 0 99 0 - 7.7-11.0 Violated in 2 structures by 0.00 A. Peak 6950 from nnoeabs.peaks (0.82, 8.46, 121.15 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 3.4-4.3 2260=84, 2.1/2268=65...(25) QD2 LEU 49 - H LEU 70 far 0 78 0 - 5.0-6.6 QD1 LEU 122 - H LEU 70 far 0 96 0 - 5.4-8.7 QG2 ILE 129 - H LEU 70 far 0 100 0 - 5.5-7.9 QD1 LEU 53 - H LEU 70 far 0 71 0 - 8.2-13.5 QG1 VAL 133 - H LEU 70 far 0 87 0 - 9.1-11.4 Violated in 9 structures by 0.08 A. Peak 6951 from nnoeabs.peaks (0.86, 8.46, 121.15 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 1.9-3.6 2269/2.9=85, 2268=81...(22) QD2 LEU 69 + H LEU 70 OK 94 95 100 100 2.7-4.9 3.0/6941=72, 2.1/6943=66...(14) QG2 ILE 32 - H LEU 70 far 0 100 0 - 7.4-16.2 QD1 LEU 98 - H LEU 70 far 0 99 0 - 8.5-11.7 QG1 VAL 133 - H LEU 70 far 0 83 0 - 9.1-11.4 QD2 LEU 123 - H LEU 70 far 0 63 0 - 9.4-13.0 QD2 LEU 98 - H LEU 70 far 0 83 0 - 9.7-12.1 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 1 assignment used, quality = 1.00: * H ASP 71 + H LEU 70 OK 100 100 100 100 2.6-2.9 3.4=100 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 3.8-4.5 6974=81, 6973/3.6=72...(20) H LEU 69 + H LEU 70 OK 76 76 100 100 2.3-2.8 3.6=100 H LEU 49 - H LEU 70 far 0 85 0 - 8.7-10.8 H SER 99 - H LEU 70 far 0 57 0 - 9.7-11.2 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 3.8-4.9 6936/3.4=81...(11) HA SER 94 - H ASP 71 far 0 92 0 - 8.5-11.0 HA ALA 34 - H ASP 71 far 0 99 0 - 9.2-12.6 HA ALA 29 - H ASP 71 far 0 97 0 - 9.2-20.4 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 3.3-4.2 2127=66, 2129/6968=63...(16) HA THR 65 - H ASP 71 far 0 76 0 - 7.9-9.0 HA ILE 37 - H ASP 71 far 0 65 0 - 8.1-10.8 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 3 assignments used, quality = 1.00: * H LEU 69 + H ASP 71 OK 99 100 100 99 3.8-4.6 6932=61, 3.6/6956=57...(17) H TYR 72 + H ASP 71 OK 76 76 100 100 2.4-2.8 3.4=100 H LEU 96 - H ASP 71 far 0 73 0 - 9.5-11.3 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 4.0-4.6 6973/3.4=100...(17) HA LYS 24 - H ASP 71 far 0 100 0 - 7.6-32.2 HA2 GLY 75 - H ASP 71 far 0 95 0 - 7.6-10.4 HA TYR 76 - H ASP 71 far 0 85 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6959 from nnoeabs.peaks (8.46, 8.14, 121.15 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + H ASP 71 OK 100 100 100 100 2.6-2.9 3.4=100 H ALA 12 - H ASP 71 far 0 81 0 - 9.3-42.0 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 3.5-3.6 3.6=100 HA3 GLY 75 - H ASP 71 far 0 78 0 - 7.5-10.0 HA ALA 46 - H ASP 71 far 0 93 0 - 8.9-10.0 HB3 SER 33 - H ASP 71 far 0 57 0 - 8.9-12.6 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 2.3-3.5 4.3=89, 3.2/2275=47...(26) HB3 LEU 70 + H ASP 71 OK 100 100 100 100 3.2-4.3 4.3=89, 3.2/2275=47...(27) 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 3.2-4.3 4.3=89, 3.2/2275=47...(27) HB2 LEU 70 + H ASP 71 OK 100 100 100 100 2.3-3.5 4.3=89, 3.2/2275=47...(26) 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 5 assignments used, quality = 1.00: * QD1 LEU 70 + H ASP 71 OK 100 100 100 100 3.4-4.3 2261/3.6=81, 2.1/2275=81...(25) QG2 ILE 129 - H ASP 71 far 0 100 0 - 6.7-8.8 QD2 LEU 49 - H ASP 71 far 0 78 0 - 7.0-8.9 QD1 LEU 122 - H ASP 71 far 0 96 0 - 7.5-10.9 QG1 VAL 133 - H ASP 71 far 0 87 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 6965 from nnoeabs.peaks (0.86, 8.14, 121.15 ppm; 4.79 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 70 + H ASP 71 OK 100 100 100 100 4.0-4.9 2275=93, 2269/3.6=84...(21) QD2 LEU 69 + H ASP 71 OK 52 95 55 100 5.0-6.6 4.9/6932=42, ~6943=41...(26) QG2 ILE 32 - H ASP 71 far 0 100 0 - 5.9-14.4 QD1 LEU 98 - H ASP 71 far 0 99 0 - 9.5-12.8 QG1 VAL 133 - H ASP 71 far 0 83 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 6966 from nnoeabs.peaks (4.42, 8.14, 121.15 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + H ASP 71 OK 100 100 100 100 2.8-2.9 2.8=100 HA SER 33 - H ASP 71 far 0 85 0 - 9.8-13.9 HA MET 11 - H ASP 71 far 0 99 0 - 10.0-43.7 Violated in 0 structures by 0.00 A. Peak 6967 from nnoeabs.peaks (2.63, 8.14, 121.15 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + H ASP 71 OK 100 100 100 100 2.1-3.5 2285=88, 1.8/6968=79...(11) Violated in 0 structures by 0.00 A. Peak 6968 from nnoeabs.peaks (2.81, 8.14, 121.15 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ASP 71 + H ASP 71 OK 99 100 100 99 2.2-3.4 2291=77, 1.8/6967=66...(15) 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 2.4-2.8 3.4=100 H LEU 69 + H ASP 71 OK 74 76 100 98 3.8-4.6 3.6/6956=56, 6932=38...(17) 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 3.8-4.6 6990=83, 6989/3.6=76...(15) 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 3.8-5.5 6956/3.4=93...(14) HA ILE 37 - H TYR 72 poor 20 65 30 - 5.7-8.7 HA THR 65 - H TYR 72 far 0 76 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 6973 from nnoeabs.peaks (4.33, 8.32, 120.30 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.93: * HA LEU 69 + H TYR 72 OK 93 100 100 93 3.1-3.7 3.6/6974=25...(23) HA2 GLY 75 - H TYR 72 far 0 95 0 - 6.1-8.7 HA TYR 76 - H TYR 72 far 0 85 0 - 7.6-8.3 HA LYS 24 - H TYR 72 far 0 100 0 - 8.6-30.8 Violated in 19 structures by 0.26 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 3.8-4.5 3.6/6973=80, 6953=57...(20) 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 4.1-4.6 2.9/6974=99, 4.9/6973=96...(13) HA3 GLY 75 + H TYR 72 OK 42 78 85 63 6.0-8.1 7003/6986=33...(4) HB3 SER 33 - H TYR 72 far 6 57 10 - 7.7-11.8 HA ALA 46 - H TYR 72 far 0 93 0 - 8.5-9.4 HA ALA 41 - H TYR 72 far 0 63 0 - 8.7-10.4 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 1 assignment used, quality = 1.00: * H ASP 71 + H TYR 72 OK 100 100 100 100 2.4-2.8 3.4=100 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 3.5-3.5 3.6=100 HA SER 33 - H TYR 72 far 0 85 0 - 9.0-12.0 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 2.7-4.1 1.8/6979=84, 4.6=80...(12) HB3 CYS 79 - H TYR 72 far 0 89 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6979 from nnoeabs.peaks (2.81, 8.32, 120.30 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + H TYR 72 OK 100 100 100 100 2.5-4.1 1.8/6978=68, 4.6=65...(11) Violated in 3 structures by 0.01 A. Peak 6980 from nnoeabs.peaks (4.55, 8.32, 120.30 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + H TYR 72 OK 100 100 100 100 2.9-2.9 2.9=100 HA SER 38 - H TYR 72 far 0 97 0 - 9.7-11.3 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 3.6-3.6 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): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + H TYR 72 OK 100 100 100 100 2.3-2.6 3.8=100 HB3 CYS 73 + H TYR 72 OK 61 85 80 90 4.3-6.0 3.4/11831=43...(12) HB2 HIS 67 - H TYR 72 far 0 100 0 - 6.7-9.3 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 2.6-3.4 4.5=68, 11028/6973=49...(20) HD2 HIS 67 - H TYR 72 far 0 100 0 - 7.1-10.1 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 4.3-5.0 2.2/6983=98, 2301/2.9=84...(14) 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 2.4-2.7 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 3 assignments used, quality = 1.00: * H SER 74 + H TYR 72 OK 100 100 100 100 3.7-4.3 7005=100, 7007/3.5=92...(12) H ALA 34 - H TYR 72 far 0 71 0 - 9.4-12.4 H VAL 93 - H TYR 72 far 0 63 0 - 9.9-11.4 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 3.1-4.4 6973/3.5=94...(22) HA2 GLY 75 - H CYS 73 poor 19 95 20 - 6.0-7.4 HA TYR 76 - H CYS 73 far 0 85 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 6989 from nnoeabs.peaks (3.88, 8.85, 116.83 ppm; 4.65 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 70 + H CYS 73 OK 100 100 100 100 3.3-4.1 2231=83, 2233/3.8=61...(21) HA3 GLY 75 - H CYS 73 far 0 78 0 - 5.8-7.3 HA ALA 46 - H CYS 73 far 0 93 0 - 7.8-9.5 HB3 SER 33 - H CYS 73 far 0 57 0 - 9.3-13.7 HA ALA 41 - H CYS 73 far 0 63 0 - 9.5-11.4 HB2 SER 94 - H CYS 73 far 0 81 0 - 9.5-11.6 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 3.8-4.6 6970=100, 3.6/6989=83...(15) H VAL 133 - H CYS 73 far 0 99 0 - 9.6-11.3 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 4.3-5.1 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 2.4-2.7 3.5=100 H LEU 69 - H CYS 73 far 0 76 0 - 5.4-6.2 H GLU 44 - H CYS 73 far 0 97 0 - 9.3-11.7 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 3.5-3.6 3.6=100 HA SER 38 - H CYS 73 far 0 97 0 - 9.3-10.9 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 3.2-3.8 4.4=100 Violated in 0 structures by 0.00 A. Peak 6995 from nnoeabs.peaks (3.34, 8.85, 116.83 ppm; 4.80 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 72 + H CYS 73 OK 100 100 100 100 2.2-2.9 4.4=100 HB3 CYS 73 + H CYS 73 OK 85 85 100 100 2.1-3.6 3.8=100 HB3 PHE 89 - H CYS 73 far 0 99 0 - 8.2-10.0 HB2 PHE 89 - H CYS 73 far 0 68 0 - 8.7-10.1 HB2 HIS 67 - H CYS 73 far 0 100 0 - 8.8-10.5 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 4.0-4.6 6983/3.5=87...(19) HD2 HIS 67 - H CYS 73 far 0 100 0 - 8.0-10.8 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 2 assignments used, quality = 1.00: * HB2 CYS 73 + H CYS 73 OK 100 100 100 100 2.5-3.6 3.8=100 HB2 TYR 76 + H CYS 73 OK 69 97 75 95 4.1-5.6 9617/9565=37, ~11160=33...(11) Violated in 0 structures by 0.00 A. Peak 7000 from nnoeabs.peaks (3.32, 8.85, 116.83 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 CYS 73 + H CYS 73 OK 100 100 100 100 2.1-3.6 3.8=100 HB3 TYR 72 + H CYS 73 OK 84 85 100 99 2.2-2.9 4.4=87, 2.7/6996=42...(16) HB3 PHE 89 - H CYS 73 far 0 96 0 - 8.2-10.0 HB2 PHE 89 - H CYS 73 far 0 99 0 - 8.7-10.1 HB2 HIS 67 - H CYS 73 far 0 81 0 - 8.8-10.5 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 2 assignments used, quality = 1.00: * H SER 74 + H CYS 73 OK 100 100 100 100 2.5-2.8 3.8=100 H VAL 93 - H CYS 73 far 0 63 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 7002 from nnoeabs.peaks (8.41, 8.41, 115.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 74 + H SER 74 OK 100 100 - 100 Peak 7003 from nnoeabs.peaks (3.88, 8.41, 115.94 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 70 + H SER 74 OK 99 100 100 99 3.3-4.6 6989/7007=56...(10) HA3 GLY 75 + H SER 74 OK 74 78 100 95 4.7-5.4 2.9/7014=80, 3.5/9582=53...(7) HB2 SER 94 - H SER 74 far 0 81 0 - 8.0-10.5 HB3 SER 33 - H SER 74 far 0 57 0 - 9.1-13.8 HA LYS 86 - H SER 74 far 0 99 0 - 9.7-10.9 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 3.5-4.1 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 3.7-4.3 6986=100, 3.5/7007=92...(12) H LEU 69 - H SER 74 far 0 76 0 - 7.3-8.3 H LYS 19 - H SER 74 far 0 65 0 - 9.4-32.1 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 3.8-4.8 3.6/7007=90, 2.9/6986=69...(5) Violated in 0 structures by 0.00 A. Peak 7007 from nnoeabs.peaks (8.85, 8.41, 115.94 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: * H CYS 73 + H SER 74 OK 99 100 100 99 2.5-2.8 3.8=88, 9555/9557=37...(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 3.5-3.6 3.6=100 HA ASP 78 - H SER 74 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 7009 from nnoeabs.peaks (2.75, 8.41, 115.94 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + H SER 74 OK 100 100 100 100 2.4-4.2 4.4=86, 3.8/7007=61...(13) HB2 TYR 76 + H SER 74 OK 45 97 55 85 4.7-6.4 3.8/9582=43, 2321/3.6=27...(11) HB3 ASP 78 - H SER 74 far 0 97 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 7010 from nnoeabs.peaks (3.32, 8.41, 115.94 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * HB3 CYS 73 + H SER 74 OK 99 100 100 99 2.4-3.9 4.4=75, 3.8/7007=56...(12) HB3 TYR 72 + H SER 74 OK 39 85 55 84 4.6-5.4 4.4/7007=47, 3.0/7006=36...(6) HB3 PHE 89 - H SER 74 far 0 96 0 - 8.0-10.0 HB2 PHE 89 - H SER 74 far 0 99 0 - 8.1-10.1 HB2 HIS 67 - H SER 74 far 0 81 0 - 9.5-11.1 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 4 assignments used, quality = 1.00: * HA SER 74 + H SER 74 OK 100 100 100 100 2.7-2.9 2.9=100 HA2 GLY 75 - H SER 74 far 0 65 0 - 4.7-5.5 HA TYR 76 - H SER 74 far 0 81 0 - 6.3-7.0 HA ALA 16 - H SER 74 far 0 92 0 - 7.6-36.8 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 88 100 100 88 2.3-3.1 3.9=73, 4.6/7014=31...(6) HB3 SER 74 + H SER 74 OK 85 100 100 85 2.1-2.8 3.9=73, 4.6/7014=31...(4) HA PHE 89 - H SER 74 far 0 87 0 - 8.9-10.3 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 88 100 100 88 2.3-3.1 3.9=73, 4.6/7014=31...(6) * HB3 SER 74 + H SER 74 OK 85 100 100 85 2.1-2.8 3.9=73, 4.6/7014=31...(4) HA PHE 89 - H SER 74 far 0 89 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 7014 from nnoeabs.peaks (7.79, 8.41, 115.94 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.99: * H GLY 75 + H SER 74 OK 99 100 100 99 2.3-3.0 7016=91, 3.1/9582=35...(13) Violated in 0 structures by 0.00 A. Peak 7015 from nnoeabs.peaks (7.79, 7.79, 107.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H GLY 75 OK 100 100 - 100 Peak 7016 from nnoeabs.peaks (8.41, 7.79, 107.45 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * H SER 74 + H GLY 75 OK 100 100 100 100 2.3-3.0 7014=100, 9582/3.1=38...(13) H ALA 34 - H GLY 75 far 0 71 0 - 7.5-11.9 H ASP 35 - H GLY 75 far 0 81 0 - 9.2-12.7 H VAL 93 - H GLY 75 far 0 63 0 - 10.0-11.6 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 6 assignments used, quality = 1.00: * HA SER 74 + H GLY 75 OK 100 100 100 100 3.4-3.6 3.6=100 HA2 GLY 75 + H GLY 75 OK 65 65 100 100 2.4-3.0 2.9=100 HA TYR 76 - H GLY 75 poor 16 81 20 - 4.6-4.9 HA ALA 16 - H GLY 75 far 0 92 0 - 7.3-36.2 HA LYS 19 - H GLY 75 far 0 73 0 - 8.6-29.7 HA THR 25 - H GLY 75 far 0 100 0 - 9.6-28.3 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 2 assignments used, quality = 1.00: * HB2 SER 74 + H GLY 75 OK 97 100 100 97 3.8-4.3 4.6=76, 3.9/7014=58...(13) HB3 SER 74 + H GLY 75 OK 97 100 100 97 2.3-3.1 4.6=76, 3.9/7014=58...(11) 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 2 assignments used, quality = 1.00: HB2 SER 74 + H GLY 75 OK 97 100 100 97 3.8-4.3 4.6=76, 3.9/7014=58...(13) * HB3 SER 74 + H GLY 75 OK 97 100 100 97 2.3-3.1 4.6=76, 3.9/7014=58...(11) 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 5 assignments used, quality = 1.00: * HA2 GLY 75 + H GLY 75 OK 100 100 100 100 2.4-3.0 2.9=100 HA SER 74 + H GLY 75 OK 64 65 100 97 3.4-3.6 3.6=84, 2.9/7014=49...(11) HA TYR 76 - H GLY 75 far 0 99 0 - 4.6-4.9 HA LEU 69 - H GLY 75 far 0 95 0 - 7.0-8.9 HA THR 25 - H GLY 75 far 0 65 0 - 9.6-28.3 Violated in 0 structures by 0.00 A. Peak 7021 from nnoeabs.peaks (3.90, 7.79, 107.45 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 75 + H GLY 75 OK 100 100 100 100 2.4-3.0 2.9=100 HA LEU 70 - H GLY 75 far 0 78 0 - 5.9-7.5 HB2 SER 33 - H GLY 75 far 0 99 0 - 8.1-12.9 HA LYS 86 - H GLY 75 far 0 90 0 - 9.8-10.7 HA3 GLY 14 - H GLY 75 far 0 90 0 - 10.0-39.3 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 3 assignments used, quality = 1.00: * H TYR 76 + H GLY 75 OK 100 100 100 100 2.0-2.3 3.1=100 H CYS 79 - H GLY 75 far 0 100 0 - 6.5-7.0 H VAL 20 - H GLY 75 far 0 83 0 - 8.8-30.8 Violated in 0 structures by 0.00 A. Peak 7023 from nnoeabs.peaks (8.04, 8.04, 121.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TYR 76 + H TYR 76 OK 100 100 - 100 H ALA 16 + H ALA 16 OK 41 41 - 100 Peak 7024 from nnoeabs.peaks (7.79, 8.04, 121.95 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H TYR 76 OK 100 100 100 100 2.0-2.3 3.1=100 Violated in 0 structures by 0.00 A. Peak 7025 from nnoeabs.peaks (4.32, 8.04, 121.95 ppm; 3.81 A): 3 out of 8 assignments used, quality = 1.00: * HA2 GLY 75 + H TYR 76 OK 100 100 100 100 2.9-3.5 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 57 65 100 88 4.2-4.7 11188/9611=31...(11) HA THR 18 - H ALA 16 far 0 26 0 - 4.8-8.5 HA LEU 69 - H TYR 76 far 0 95 0 - 7.2-8.6 HA ALA 21 - H ALA 16 far 0 24 0 - 7.7-11.2 HA SER 74 - H ALA 16 far 0 25 0 - 9.2-39.2 HA2 GLY 75 - H ALA 16 far 0 48 0 - 9.3-36.6 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 7 assignments used, quality = 1.00: * HA3 GLY 75 + H TYR 76 OK 100 100 100 100 2.9-3.5 3.5=100 HA3 GLY 14 - H ALA 16 poor 13 38 35 - 4.0-7.0 HA2 GLY 14 - H ALA 16 poor 10 39 25 - 3.6-6.8 HA LEU 70 - H TYR 76 far 0 78 0 - 6.9-7.9 HA LYS 86 - H TYR 76 far 0 90 0 - 8.5-9.1 HB2 SER 33 - H TYR 76 far 0 99 0 - 9.5-13.2 HA3 GLY 75 - H ALA 16 far 0 48 0 - 10.0-35.0 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 11 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 2.9-3.5 3.5=100 HA SER 74 + H TYR 76 OK 72 81 100 89 4.2-4.7 11188/9611=35...(11) HA ALA 15 + H ALA 16 OK 25 25 100 100 2.1-3.5 3.6=100 HA THR 18 - H ALA 16 far 0 34 0 - 4.8-8.5 HA LEU 69 - H TYR 76 far 0 85 0 - 7.2-8.6 HA ALA 21 - H ALA 16 far 0 31 0 - 7.7-11.2 HA ARG 23 - H ALA 16 far 0 26 0 - 7.9-16.3 HA ALA 12 - H ALA 16 far 0 25 0 - 8.1-12.4 HA SER 74 - H ALA 16 far 0 33 0 - 9.2-39.2 HA2 GLY 75 - H ALA 16 far 0 46 0 - 9.3-36.6 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 6 assignments used, quality = 1.00: * HB2 TYR 76 + H TYR 76 OK 100 100 100 100 2.4-2.8 3.8=91, 1.8/7029=73...(15) HB2 CYS 73 - H TYR 76 far 0 97 0 - 4.7-5.7 HB3 ASN 13 - H ALA 16 far 0 42 0 - 6.2-10.2 HB3 ASP 78 - H TYR 76 far 0 81 0 - 6.5-7.8 HB3 ASP 35 - H ALA 16 far 0 45 0 - 8.6-31.3 HB3 ASP 78 - H ALA 16 far 0 33 0 - 10.0-41.5 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 2 assignments used, quality = 1.00: * HB3 TYR 76 + H TYR 76 OK 100 100 100 100 2.3-2.8 3.8=93, 1.8/7028=74...(14) HB3 CYS 45 - H TYR 76 far 0 100 0 - 10.0-11.7 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 4.1-4.2 4.6=90, 2.6/7028=81...(21) QE TYR 76 - H TYR 76 far 0 57 0 - 6.2-6.2 Violated in 0 structures by 0.00 A. Peak 7031 from nnoeabs.peaks (6.47, 8.04, 121.95 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.57: QD TYR 76 + H TYR 76 OK 57 57 100 100 4.1-4.2 4.6=100 ! QE TYR 76 - H TYR 76 far 0 100 0 - 6.2-6.2 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 1 assignment used, quality = 1.00: * H VAL 77 + H TYR 76 OK 100 100 100 100 2.4-2.6 3.1=100 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 2 assignments used, quality = 0.99: * H ASP 78 + H TYR 76 OK 99 100 100 99 4.0-4.6 7052/9611=67...(11) HD21 ASN 13 - H ALA 16 far 0 40 0 - 7.2-12.1 Violated in 0 structures by 0.00 A. Peak 7034 from nnoeabs.peaks (7.54, 7.54, 116.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 77 + H VAL 77 OK 100 100 - 100 Peak 7035 from nnoeabs.peaks (8.04, 7.54, 116.56 ppm; 3.43 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 76 + H VAL 77 OK 100 100 100 100 2.4-2.6 3.1=100 H CYS 79 + H VAL 77 OK 94 100 100 94 3.9-4.0 9697/7043=35...(16) Violated in 0 structures by 0.00 A. Peak 7036 from nnoeabs.peaks (4.31, 7.54, 116.56 ppm; 3.93 A): 3 out of 4 assignments used, quality = 1.00: * HA TYR 76 + H VAL 77 OK 100 100 100 100 3.4-3.6 3.6=100 HA2 GLY 75 + H VAL 77 OK 65 99 85 77 3.8-5.0 2.9/11147=45...(6) HA SER 74 + H VAL 77 OK 64 81 90 88 4.0-5.2 11188/7043=56...(9) HA LEU 69 - H VAL 77 far 0 85 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 7037 from nnoeabs.peaks (2.76, 7.54, 116.56 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + H VAL 77 OK 100 100 100 100 2.5-4.3 4.5=91, 7028/3.1=73...(18) HB2 CYS 73 + H VAL 77 OK 75 97 95 82 3.8-5.4 ~11789=29, 3.0/11751=27...(13) HB3 ASP 78 - H VAL 77 far 0 81 0 - 5.6-6.4 Violated in 0 structures by 0.00 A. Peak 7038 from nnoeabs.peaks (3.13, 7.54, 116.56 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + H VAL 77 OK 100 100 100 100 2.3-4.2 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 3.2-3.7 5.0=100 QE TYR 76 + H VAL 77 OK 56 57 100 99 5.4-5.9 ~7030=58, 4.5/7037=39...(16) 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 5.4-5.9 9669/3.0=76...(17) QD TYR 76 + H VAL 77 OK 57 57 100 100 3.2-3.7 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 2.8-2.8 3.0=100 HA ILE 129 - H VAL 77 far 0 93 0 - 8.2-10.0 HA LEU 42 - H VAL 77 far 0 63 0 - 8.4-9.6 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 2.3-2.6 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 1.9-2.6 2394=81, 2.1/7042=62...(24) QG2 VAL 133 - H VAL 77 far 0 83 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. Peak 7044 from nnoeabs.peaks (1.18, 7.54, 116.56 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + H VAL 77 OK 100 100 100 100 3.7-3.8 2400=88, 2.1/7043=75...(21) QB ALA 41 - H VAL 77 far 0 97 0 - 8.6-10.1 HG3 LYS 39 - H VAL 77 far 0 71 0 - 9.3-12.0 Violated in 20 structures by 0.24 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 2.8-2.9 4.5=100 H GLN 82 - H VAL 77 far 0 68 0 - 10.0-11.4 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 3 assignments used, quality = 1.00: H CYS 79 + H ASP 78 OK 100 100 100 100 2.5-2.7 7059=100, 7061/7055=43...(15) * H TYR 76 + H ASP 78 OK 79 100 85 93 4.0-4.6 7033=44, 9611/7052=39...(11) H VAL 20 - H ASP 78 far 0 83 0 - 9.3-34.5 Violated in 0 structures by 0.00 A. Peak 7048 from nnoeabs.peaks (4.31, 7.58, 116.40 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.99: * HA TYR 76 + H ASP 78 OK 95 100 100 95 4.0-4.4 3.0/7033=59, 3.1/9681=45...(6) HA2 GLY 75 + H ASP 78 OK 81 99 100 81 3.6-5.2 3.5/7033=53...(5) HA SER 74 - H ASP 78 far 8 81 10 - 4.7-6.7 HA PRO 81 - H ASP 78 far 0 71 0 - 9.1-9.9 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 2.8-2.9 4.5=100 H GLN 82 - H ASP 78 far 0 95 0 - 9.8-11.1 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; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 77 + H ASP 78 OK 100 100 100 100 3.6-3.9 2.1/7052=82, 2393=71...(17) Violated in 20 structures by 0.22 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 1.9-2.0 2399=78, 2.1/7051=45...(18) QG2 VAL 133 - H ASP 78 far 0 83 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 7053 from nnoeabs.peaks (1.18, 7.58, 116.40 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 77 + H ASP 78 OK 100 100 100 100 3.3-3.9 2.1/7052=87, 2405=72...(21) QB ALA 41 - H ASP 78 far 0 97 0 - 9.8-11.8 Violated in 11 structures by 0.06 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 2.8-2.9 2.9=100 HA CYS 73 - H ASP 78 far 0 100 0 - 5.1-6.6 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 2.1-2.3 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 3 assignments used, quality = 0.98: * HB3 ASP 78 + H ASP 78 OK 98 100 100 98 2.8-3.5 1.8/7055=74, 2416=72...(6) HB2 TYR 76 - H ASP 78 far 0 81 0 - 5.0-6.0 HB2 CYS 73 - H ASP 78 far 0 97 0 - 6.1-8.1 Violated in 8 structures by 0.07 A. Peak 7057 from nnoeabs.peaks (8.04, 7.58, 116.40 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * H CYS 79 + H ASP 78 OK 100 100 100 100 2.5-2.7 7059=100, 7061/7055=43...(15) H TYR 76 + H ASP 78 OK 79 100 85 93 4.0-4.6 7033=44, 9611/7052=39...(11) H VAL 20 - H ASP 78 far 0 83 0 - 9.3-34.5 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 2.5-2.7 7057=44, 7055/7061=36...(15) H GLN 82 - H CYS 79 far 0 68 0 - 8.0-9.3 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 3.3-3.4 3.6=100 HA CYS 73 - H CYS 79 far 0 100 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 7061 from nnoeabs.peaks (2.51, 8.04, 116.97 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 78 + H CYS 79 OK 100 100 100 100 3.4-4.1 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; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + H CYS 79 OK 100 100 100 100 4.4-4.5 4.3=100 HB2 TYR 76 + H CYS 79 OK 33 81 45 91 5.1-5.7 3.0/11162=35...(13) HB2 CYS 73 - H CYS 79 far 0 97 0 - 7.7-9.2 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 - 4.4-4.9 HA PHE 89 - H CYS 79 far 0 83 0 - 9.7-10.7 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 2 assignments used, quality = 0.99: * HB2 CYS 79 + H CYS 79 OK 99 100 100 99 3.5-3.6 3.9=88, 1.8/7065=74...(7) HB3 LYS 19 - H CYS 79 far 0 65 0 - 9.4-32.8 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 2.2-2.4 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 2.0-2.3 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 2 assignments used, quality = 1.00: * H CYS 79 + H ILE 80 OK 100 100 100 100 2.0-2.3 7066=100, 7059/9680=33...(12) H TYR 76 - H ILE 80 far 0 100 0 - 6.2-6.5 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 3.4-3.5 3.6=100 HA ILE 80 + H ILE 80 OK 85 85 100 100 2.6-2.8 3.0=100 HA PHE 89 - H ILE 80 far 0 83 0 - 8.7-9.5 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 1 assignment used, quality = 1.00: * HB2 CYS 79 + H ILE 80 OK 100 100 100 100 3.6-4.0 4.4=100 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 3.0-3.4 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 2.6-2.8 3.0=100 HA CYS 79 + H ILE 80 OK 85 85 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7073 from nnoeabs.peaks (1.74, 6.96, 123.17 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.99: * HB ILE 80 + H ILE 80 OK 99 100 100 99 2.2-2.6 3.9=60, 3.0/7075=47...(18) HG3 ARG 90 - H ILE 80 far 0 100 0 - 7.4-9.1 HB2 LYS 39 - H ILE 80 far 0 73 0 - 7.6-11.1 HD3 LYS 39 - H ILE 80 far 0 73 0 - 8.5-12.3 HG2 ARG 135 - H ILE 80 far 0 65 0 - 9.9-13.3 HG13 ILE 129 - H ILE 80 far 0 99 0 - 10.0-13.0 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 4 assignments used, quality = 1.00: * QG2 ILE 80 + H ILE 80 OK 100 100 100 100 3.3-3.8 4.0=79, 2.1/7073=77...(18) HG13 ILE 80 + H ILE 80 OK 88 97 90 100 2.0-4.6 1.8/7075=76, 2.1/7077=67...(15) QG1 VAL 133 - H ILE 80 far 0 76 0 - 5.3-8.0 QG2 ILE 129 - H ILE 80 far 0 99 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 7075 from nnoeabs.peaks (1.21, 6.96, 123.17 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * HG12 ILE 80 + H ILE 80 OK 99 100 100 99 2.1-3.9 2.1/7077=64, 3.0/7073=60...(14) QG2 THR 83 - H ILE 80 far 0 60 0 - 7.0-7.9 Violated in 18 structures by 0.15 A. Peak 7076 from nnoeabs.peaks (0.82, 6.96, 123.17 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + H ILE 80 OK 100 100 100 100 2.0-4.6 1.8/7075=81, 2.1/7077=73...(15) QG2 ILE 80 + H ILE 80 OK 97 97 100 100 3.3-3.8 4.0=91, 2.1/7073=82...(18) QG1 VAL 133 - H ILE 80 far 0 95 0 - 5.3-8.0 QG2 ILE 129 - H ILE 80 far 0 100 0 - 7.7-8.4 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 2.7-3.4 2471=80, 2.1/7075=72...(21) QG2 VAL 93 - H ILE 80 far 0 83 0 - 8.1-8.8 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 2.1-4.1 3.5=100 HG3 GLN 82 + HE21 GLN 82 OK 98 98 100 100 2.1-3.7 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 2.1-3.7 3.5=100 HG2 GLN 82 + HE21 GLN 82 OK 98 98 100 100 2.1-4.1 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 3.3-4.0 3.5=100 HG3 GLN 82 + HE22 GLN 82 OK 98 98 100 100 2.1-4.1 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 2.1-4.1 3.5=100 HG2 GLN 82 + HE22 GLN 82 OK 98 98 100 100 3.3-4.0 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 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 7086 from nnoeabs.peaks (9.00, 9.00, 120.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * H ARG 84 + H ARG 84 OK 99 99 - 100 Peak 7087 from nnoeabs.peaks (3.75, 9.00, 120.08 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 83 + H ARG 84 OK 99 99 100 100 3.5-3.6 3.6=100 HA VAL 133 - H ARG 84 far 0 79 0 - 8.4-11.2 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 2.4-2.8 2516=96, 2.1/2520=60...(15) 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 3.5-3.9 2520=100, 2.1/7088=80...(10) HG12 ILE 80 - H ARG 84 far 0 58 0 - 7.9-9.7 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 - 7.7-8.4 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 = 0.98: * HB2 ARG 84 + H ARG 84 OK 98 99 100 99 2.2-3.6 1.8/7092=73, 2533=67...(16) HB2 LYS 86 - H ARG 84 far 0 92 0 - 4.9-7.0 HB3 ARG 135 - H ARG 84 far 0 97 0 - 7.7-10.0 Violated in 4 structures by 0.04 A. Peak 7092 from nnoeabs.peaks (1.90, 9.00, 120.08 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.97: * HB3 ARG 84 + H ARG 84 OK 97 99 100 97 2.1-3.5 2542=71, 1.8/7091=68...(12) HB2 ARG 135 - H ARG 84 far 0 99 0 - 7.3-9.9 Violated in 2 structures by 0.02 A. Peak 7093 from nnoeabs.peaks (1.64, 9.00, 120.08 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + H ARG 84 OK 99 99 100 100 2.2-4.6 3.0/7092=72, 3.0/7091=71...(21) HG3 ARG 84 + H ARG 84 OK 99 99 100 100 2.0-4.5 3.0/7092=72, 3.0/7091=71...(20) HD3 LYS 86 - H ARG 84 far 0 76 0 - 5.9-8.4 HD2 LYS 86 - H ARG 84 far 0 76 0 - 6.5-8.6 QB ALA 88 - H ARG 84 far 0 72 0 - 6.5-7.7 Violated in 2 structures by 0.00 A. Peak 7094 from nnoeabs.peaks (1.64, 9.00, 120.08 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + H ARG 84 OK 99 99 100 100 2.2-4.6 3.0/7092=72, 3.0/7091=71...(21) * HG3 ARG 84 + H ARG 84 OK 99 99 100 100 2.0-4.5 3.0/7092=72, 3.0/7091=71...(20) HD3 LYS 86 - H ARG 84 far 0 76 0 - 5.9-8.4 HD2 LYS 86 - H ARG 84 far 0 76 0 - 6.5-8.6 QB ALA 88 - H ARG 84 far 0 72 0 - 6.5-7.7 Violated in 2 structures by 0.00 A. Peak 7095 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 84 + H ARG 84 OK 99 99 100 100 3.0-5.6 4.0/7092=85, 4.0/7091=84...(20) HD3 ARG 84 + H ARG 84 OK 99 99 100 100 3.8-5.8 4.0/7092=85, 4.0/7091=84...(20) HD2 ARG 90 - H ARG 84 far 0 66 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 7096 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 84 + H ARG 84 OK 99 99 100 100 3.0-5.6 4.0/7092=85, 4.0/7091=84...(20) * HD3 ARG 84 + H ARG 84 OK 99 99 100 100 3.8-5.8 4.0/7092=85, 4.0/7091=84...(20) HD2 ARG 90 - H ARG 84 far 0 66 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 7097 from nnoeabs.peaks (7.27, 9.00, 120.08 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + H ARG 84 OK 99 99 100 100 2.6-2.9 3.7=100 HE ARG 84 + H ARG 84 OK 21 89 25 97 3.2-6.8 5.1/7092=38, 5.1/7091=37...(15) HD21 ASN 85 - H ARG 84 far 0 76 0 - 5.5-6.9 QE PHE 87 - H ARG 84 far 0 99 0 - 5.9-9.1 Violated in 0 structures by 0.00 A. Peak 7098 from nnoeabs.peaks (8.34, 9.00, 120.08 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 86 + H ARG 84 OK 99 99 100 100 4.0-4.3 7132/3.7=84, 7129/3.6=71...(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 7129/7132=92...(11) HA VAL 133 + H ASN 85 OK 49 81 80 76 6.0-8.5 10538/10545=47...(4) 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 2.6-2.9 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 2.6-4.2 4.7=100 HB2 LYS 86 - H ASN 85 far 14 93 15 - 4.2-6.0 HB3 ARG 135 - H ASN 85 far 0 98 0 - 6.0-8.1 Violated in 0 structures by 0.00 A. Peak 7104 from nnoeabs.peaks (1.90, 7.27, 117.40 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 84 + H ASN 85 OK 100 100 100 100 2.7-4.2 4.7=100 HB2 ARG 135 + H ASN 85 OK 22 100 30 72 5.3-7.7 11279/5.3=47...(5) HB2 ARG 90 - H ASN 85 far 0 98 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 7105 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 5.86 A): 5 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + H ASN 85 OK 99 100 100 99 2.0-5.2 7093/3.7=45, 3.0/2541=40...(20) HG3 ARG 84 + H ASN 85 OK 99 100 100 99 2.9-5.4 7093/3.7=45, 3.0/2541=40...(19) QB ALA 88 + H ASN 85 OK 73 73 100 100 4.8-5.9 3.0/7182=78, ~7174=63...(13) HD3 LYS 86 + H ASN 85 OK 48 78 70 88 5.9-8.0 5.6/7132=68...(6) HD2 LYS 86 + H ASN 85 OK 25 78 40 81 6.1-7.9 5.6/7132=68...(5) Violated in 0 structures by 0.00 A. Peak 7106 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 5.86 A): 5 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + H ASN 85 OK 99 100 100 99 2.0-5.2 7093/3.7=45, 3.0/2541=40...(20) * HG3 ARG 84 + H ASN 85 OK 99 100 100 99 2.9-5.4 7093/3.7=45, 3.0/2541=40...(19) QB ALA 88 + H ASN 85 OK 73 73 100 100 4.8-5.9 3.0/7182=78, ~7174=63...(13) HD3 LYS 86 + H ASN 85 OK 48 78 70 88 5.9-8.0 5.6/7132=68...(6) HD2 LYS 86 + H ASN 85 OK 25 78 40 81 6.1-7.9 5.6/7132=68...(5) Violated in 0 structures by 0.00 A. Peak 7107 from nnoeabs.peaks (3.20, 7.27, 117.40 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 84 + H ASN 85 OK 99 100 100 99 4.2-6.4 2570/3.6=51, 2580/4.7=47...(11) * HD2 ARG 84 + H ASN 85 OK 98 100 100 98 4.0-6.4 2570/3.6=48, 2578/3.7=48...(11) HD2 ARG 90 - H ASN 85 far 0 68 0 - 8.2-11.4 HD3 ARG 90 - H ASN 85 far 0 63 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 7108 from nnoeabs.peaks (3.20, 7.27, 117.40 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 84 + H ASN 85 OK 99 100 100 99 4.2-6.4 2570/3.6=51, 2580/4.7=47...(11) HD2 ARG 84 + H ASN 85 OK 98 100 100 98 4.0-6.4 2570/3.6=48, 2578/3.7=48...(11) HD2 ARG 90 - H ASN 85 far 0 68 0 - 8.2-11.4 HD3 ARG 90 - H ASN 85 far 0 63 0 - 9.1-12.0 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 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7111 from nnoeabs.peaks (2.82, 7.27, 117.40 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + H ASN 85 OK 100 100 100 100 2.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7113 from nnoeabs.peaks (8.08, 7.27, 117.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + H ASN 85 OK 100 100 100 100 3.3-4.6 5.3=100 Violated in 0 structures by 0.00 A. Peak 7114 from nnoeabs.peaks (8.34, 7.27, 117.40 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + H ASN 85 OK 100 100 100 100 2.4-2.5 3.9=100 Violated in 0 structures by 0.00 A. Peak 7115 from nnoeabs.peaks (8.12, 7.27, 117.40 ppm; 6.37 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 87 + H ASN 85 OK 100 100 100 100 4.1-4.6 7154/7132=97...(15) H VAL 133 - H ASN 85 far 0 60 0 - 7.7-9.8 H GLU 91 - H ASN 85 far 0 98 0 - 9.3-9.6 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 4.3-5.0 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 2.2-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 7120 from nnoeabs.peaks (2.82, 7.25, 114.49 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HD21 ASN 85 OK 100 100 100 100 2.2-3.9 3.5=100 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 4.3-4.8 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 2.1-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 7126 from nnoeabs.peaks (2.82, 8.08, 114.49 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HD22 ASN 85 OK 100 100 100 100 2.2-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 7127 from nnoeabs.peaks (7.25, 8.08, 114.49 ppm; 2.86 A): 1 out of 3 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 far 12 78 15 - 3.3-4.6 HE ARG 84 - HD22 ASN 85 far 0 99 0 - 5.0-10.7 Violated in 0 structures by 0.00 A. Peak 7128 from nnoeabs.peaks (8.34, 8.34, 124.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 86 + H LYS 86 OK 100 100 - 100 H LYS 19 + H LYS 19 OK 69 69 - 100 Peak 7129 from nnoeabs.peaks (3.75, 8.34, 124.24 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 83 + H LYS 86 OK 100 100 100 100 3.0-3.2 2510=75, 2517/11241=67...(16) HA VAL 133 - H LYS 86 far 0 81 0 - 6.2-8.1 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 4.0-4.3 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 12 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 2.3-2.8 3.0=100 HA ALA 16 - H LYS 19 poor 18 38 100 48 4.3-7.1 4.9/10699=25...(3) HA LEU 22 - H LYS 19 far 3 53 5 - 7.7-10.1 HA ALA 34 - H LYS 19 far 2 48 5 - 7.4-25.0 HA GLU 30 - H LYS 19 far 0 50 0 - 7.9-22.0 HA GLN 27 - H LYS 19 far 0 72 0 - 7.9-17.9 HA LYS 31 - H LYS 19 far 0 37 0 - 8.1-21.5 HA ALA 28 - H LYS 19 far 0 68 0 - 8.3-18.8 HA ALA 29 - H LYS 19 far 0 55 0 - 8.7-21.6 HA LYS 26 - H LYS 19 far 0 52 0 - 8.7-17.0 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 5 assignments used, quality = 0.97: * H ASN 85 + H LYS 86 OK 97 100 100 97 2.4-2.5 3.9=86, 3.7/7098=29...(15) HD21 ASN 85 - H LYS 86 far 0 78 0 - 4.9-6.3 HE ARG 84 - H LYS 86 far 0 90 0 - 5.3-8.9 QE PHE 87 - H LYS 86 far 0 100 0 - 6.3-8.5 HD2 HIS 10 - H LYS 19 far 0 72 0 - 7.8-27.0 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 3.5-3.5 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 2 assignments used, quality = 1.00: * HB2 ASN 85 + H LYS 86 OK 100 100 100 100 2.7-4.1 4.4=100 HB2 ASP 35 - H LYS 19 far 0 53 0 - 9.6-26.6 Violated in 0 structures by 0.00 A. Peak 7135 from nnoeabs.peaks (2.82, 8.34, 124.24 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + H LYS 86 OK 100 100 100 100 2.7-3.9 4.4=100 HB2 ASN 13 - H LYS 19 far 0 70 0 - 8.4-14.7 HB3 ASP 71 - H LYS 19 far 0 70 0 - 10.0-30.4 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 = 0.73: H VAL 20 + H LYS 19 OK 55 55 100 100 2.5-3.2 4.6=100 * HD22 ASN 85 + H LYS 86 OK 39 100 60 65 4.5-6.3 5.3/7132=48...(4) H THR 25 - H LYS 19 far 0 52 0 - 8.5-15.3 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 3 assignments used, quality = 1.00: * HA LYS 86 + H LYS 86 OK 100 100 100 100 2.8-2.8 2.9=100 HA3 GLY 75 - H LYS 19 far 0 60 0 - 6.8-29.6 HB2 SER 33 - H LYS 19 far 0 46 0 - 7.9-23.0 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 8 assignments used, quality = 1.00: * HB2 LYS 86 + H LYS 86 OK 100 100 100 100 2.1-3.6 4.0=96, 1.8/7140=77...(17) HB3 LYS 19 + H LYS 19 OK 58 58 100 100 3.5-4.0 3.9=99, 1.8/6149=49...(35) HB2 ARG 84 - H LYS 86 far 5 93 5 - 4.8-5.9 HB3 LYS 31 - H LYS 19 far 0 58 0 - 7.6-19.8 HB3 ARG 135 - H LYS 86 far 0 76 0 - 7.6-9.6 HB3 ARG 23 - H LYS 19 far 0 38 0 - 7.9-11.9 HB3 LYS 24 - H LYS 19 far 0 55 0 - 8.1-15.8 HB ILE 32 - H LYS 19 far 0 48 0 - 9.1-22.7 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 2.1-3.1 4.0=90, 3.0/7142=50...(18) HB2 GLU 30 - H LYS 19 far 0 73 0 - 6.0-20.7 HB3 ARG 90 - H LYS 86 far 0 100 0 - 7.0-9.3 HB3 PRO 81 - H LYS 86 far 0 97 0 - 7.4-8.4 HB2 GLN 27 - H LYS 19 far 0 68 0 - 8.2-17.1 Violated in 0 structures by 0.00 A. Peak 7141 from nnoeabs.peaks (1.42, 8.34, 124.24 ppm; 5.06 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 86 + H LYS 86 OK 100 100 100 100 3.3-4.2 4.5=100 HG3 LYS 19 + H LYS 19 OK 48 48 100 100 2.7-4.0 4.9=100 QB ALA 16 - H LYS 19 poor 16 60 70 39 3.3-6.9 4.7/10699=17...(5) QB ALA 34 - H LYS 19 far 4 73 5 - 4.8-22.1 HG2 LYS 31 - H LYS 19 far 3 52 5 - 5.4-21.3 HG3 LYS 24 - H LYS 19 far 0 44 0 - 7.8-14.3 QB ALA 92 - H LYS 86 far 0 98 0 - 8.7-9.6 HG13 ILE 32 - H LYS 19 far 0 57 0 - 8.8-22.2 HG2 LYS 26 - H LYS 19 far 0 65 0 - 9.7-19.7 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 2 assignments used, quality = 1.00: * HG3 LYS 86 + H LYS 86 OK 100 100 100 100 2.4-4.6 4.5=90, 3.0/7140=70...(15) HG3 LYS 24 - H LYS 19 far 0 37 0 - 7.8-14.3 Violated in 4 structures by 0.05 A. Peak 7143 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.86 A): 6 out of 13 assignments used, quality = 1.00: * HD2 LYS 86 + H LYS 86 OK 100 100 100 100 4.2-5.6 3.0/7142=76, 3.5/7140=75...(23) QB ALA 88 + H LYS 86 OK 100 100 100 100 4.9-5.7 2750/3.6=84...(13) HD3 LYS 86 + H LYS 86 OK 95 100 95 100 4.2-5.8 3.0/7142=76, 3.5/7140=75...(24) HD2 LYS 19 + H LYS 19 OK 68 68 100 100 1.9-4.9 10696/4.3=68, 6.2=48...(73) HD3 LYS 19 + H LYS 19 OK 68 68 100 100 2.0-5.4 6.2=48, 3.9/6149=42...(75) HG3 ARG 84 + H LYS 86 OK 27 78 45 76 5.0-7.2 4.6/7098=45, 2595/3.6=14...(9) HG2 ARG 84 - H LYS 86 far 8 78 10 - 4.4-6.8 HD3 LYS 31 - H LYS 19 far 4 73 5 - 4.6-21.9 HD2 LYS 31 - H LYS 19 far 0 73 0 - 6.2-22.2 HD2 LYS 24 - H LYS 19 far 0 73 0 - 7.7-16.5 HD2 LYS 26 - H LYS 19 far 0 73 0 - 8.0-21.5 HD3 LYS 26 - H LYS 19 far 0 73 0 - 8.2-21.4 HD3 LYS 24 - H LYS 19 far 0 73 0 - 8.6-16.1 Violated in 0 structures by 0.00 A. Peak 7144 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.86 A): 6 out of 13 assignments used, quality = 1.00: HD2 LYS 86 + H LYS 86 OK 100 100 100 100 4.2-5.6 3.0/7142=76, 3.5/7140=75...(23) QB ALA 88 + H LYS 86 OK 100 100 100 100 4.9-5.7 2750/3.6=84...(13) * HD3 LYS 86 + H LYS 86 OK 95 100 95 100 4.2-5.8 3.0/7142=76, 3.5/7140=75...(24) HD2 LYS 19 + H LYS 19 OK 68 68 100 100 1.9-4.9 10696/4.3=68, 6.2=48...(73) HD3 LYS 19 + H LYS 19 OK 68 68 100 100 2.0-5.4 6.2=48, 3.9/6149=42...(75) HG3 ARG 84 + H LYS 86 OK 27 78 45 76 5.0-7.2 4.6/7098=45, 2595/3.6=14...(9) HG2 ARG 84 - H LYS 86 far 8 78 10 - 4.4-6.8 HD3 LYS 31 - H LYS 19 far 4 73 5 - 4.6-21.9 HD2 LYS 31 - H LYS 19 far 0 73 0 - 6.2-22.2 HD2 LYS 24 - H LYS 19 far 0 73 0 - 7.7-16.5 HD2 LYS 26 - H LYS 19 far 0 73 0 - 8.0-21.5 HD3 LYS 26 - H LYS 19 far 0 73 0 - 8.2-21.4 HD3 LYS 24 - H LYS 19 far 0 73 0 - 8.6-16.1 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...(21) H ALA 15 - H LYS 19 far 0 42 0 - 6.6-11.5 H VAL 133 - H LYS 86 far 0 60 0 - 7.6-9.4 H GLU 91 - H LYS 86 far 0 98 0 - 7.7-7.9 H THR 25 - H LYS 19 far 0 64 0 - 8.5-15.3 H ILE 32 - H LYS 19 far 0 46 0 - 9.4-20.6 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 4.2-4.8 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 4.1-5.2 2636/7157=70...(16) HA VAL 133 - H PHE 87 far 0 81 0 - 8.4-10.1 Violated in 2 structures by 0.01 A. Peak 7151 from nnoeabs.peaks (4.25, 8.12, 118.33 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 84 + H PHE 87 OK 98 100 100 98 3.8-4.1 2530=71, 9782/11240=31...(15) HA PHE 87 + H PHE 87 OK 89 89 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 7152 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 5.31 A): 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...(15) QE PHE 87 + H PHE 87 OK 98 100 100 98 4.6-6.1 2719/2.9=76, 6.3=61...(7) HE ARG 84 - H PHE 87 far 14 90 15 - 5.1-8.7 HD21 ASN 85 - H PHE 87 far 0 78 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 7153 from nnoeabs.peaks (4.81, 8.12, 118.33 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H PHE 87 OK 100 100 100 100 3.8-4.6 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 1 assignment used, quality = 1.00: * H LYS 86 + H PHE 87 OK 100 100 100 100 2.8-3.0 7147=72, 7140/7157=44...(20) 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 2.7-3.7 1.8/7157=75, 4.6=59...(18) HB2 ARG 84 - H PHE 87 far 0 93 0 - 5.7-6.2 HB3 ARG 135 - H PHE 87 far 0 76 0 - 9.1-10.7 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 2.4-2.9 1.8/7156=74, 2647=62...(24) HB3 ARG 90 - H PHE 87 far 0 100 0 - 5.3-7.7 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 2 assignments used, quality = 1.00: * HG2 LYS 86 + H PHE 87 OK 100 100 100 100 4.7-5.1 3.0/7157=97, 3.0/7156=97...(22) QB ALA 92 - H PHE 87 far 0 98 0 - 7.9-8.9 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 4.1-4.9 2669=100, 3.0/7156=100...(21) Violated in 0 structures by 0.00 A. Peak 7160 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 4.40 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 88 + H PHE 87 OK 99 100 100 99 4.3-4.6 7185/7170=80, 9851=50...(15) HD3 LYS 86 + H PHE 87 OK 65 100 65 100 5.1-6.3 3.5/7157=65, 3.5/7156=65...(30) ! HD2 LYS 86 - H PHE 87 poor 20 100 20 99 5.0-6.5 3.5/7157=65, 3.5/7156=65...(28) HG3 ARG 84 - H PHE 87 far 8 78 10 - 4.9-7.3 HG2 ARG 84 - H PHE 87 far 0 78 0 - 5.7-7.2 Violated in 1 structures by 0.00 A. Peak 7161 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 4.40 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 88 + H PHE 87 OK 99 100 100 99 4.3-4.6 7185/7170=80, 9851=50...(15) * HD3 LYS 86 + H PHE 87 OK 65 100 65 100 5.1-6.3 3.5/7157=65, 3.5/7156=65...(30) HD2 LYS 86 - H PHE 87 poor 20 100 20 99 5.0-6.5 3.5/7157=65, 3.5/7156=65...(28) HG3 ARG 84 - H PHE 87 far 8 78 10 - 4.9-7.3 HG2 ARG 84 - H PHE 87 far 0 78 0 - 5.7-7.2 Violated in 1 structures by 0.00 A. Peak 7164 from nnoeabs.peaks (4.26, 8.12, 118.33 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 87 + H PHE 87 OK 100 100 100 100 2.8-2.8 2.9=100 HA ARG 84 + H PHE 87 OK 83 89 100 94 3.8-4.1 2530=51, 4.9/7150=25...(14) 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 2.1-2.2 4.0=63, 4.5/7170=32...(11) HB3 PHE 87 + H PHE 87 OK 89 100 100 89 2.9-3.5 4.0=63, 4.5/7170=32...(8) HD3 ARG 135 - H PHE 87 far 0 100 0 - 7.7-12.2 Violated in 0 structures by 0.00 A. Peak 7166 from nnoeabs.peaks (3.23, 8.12, 118.33 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.99: HB2 PHE 87 + H PHE 87 OK 95 100 100 96 2.1-2.2 4.0=63, 4.5/7170=32...(11) * HB3 PHE 87 + H PHE 87 OK 89 100 100 89 2.9-3.5 4.0=63, 4.5/7170=32...(8) HD3 ARG 135 - H PHE 87 far 0 100 0 - 7.7-12.2 Violated in 0 structures by 0.00 A. Peak 7167 from nnoeabs.peaks (7.32, 8.12, 118.33 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + H PHE 87 OK 100 100 100 100 2.3-4.1 4.2=100 H ARG 135 - H PHE 87 far 0 100 0 - 9.7-11.6 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...(15) * QE PHE 87 + H PHE 87 OK 98 100 100 98 4.6-6.1 2719/2.9=77, 6.3=62...(7) HE ARG 84 - H PHE 87 far 13 87 15 - 5.1-8.7 HD21 ASN 85 - H PHE 87 far 0 73 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 7170 from nnoeabs.peaks (7.86, 8.12, 118.33 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 88 + H PHE 87 OK 99 100 100 99 2.7-3.0 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 3.6-3.9 7186/7170=86...(13) 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 4 assignments used, quality = 0.94: 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 51 100 55 93 4.5-5.5 2530/7170=53...(10) HA ALA 29 - H GLN 68 far 0 62 0 - 7.5-21.2 HA ALA 28 - H GLN 68 far 0 75 0 - 8.4-25.3 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 3.3-3.6 2750/7185=74...(20) Violated in 0 structures by 0.00 A. Peak 7175 from nnoeabs.peaks (8.34, 7.86, 121.70 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 86 + H ALA 88 OK 100 100 100 100 4.2-4.8 7154/7170=85...(16) H TYR 72 - H GLN 68 poor 19 64 30 - 5.7-6.9 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 4 assignments used, quality = 1.00: * H PHE 87 + H ALA 88 OK 100 100 100 100 2.7-3.0 7170=100, 4.2/7181=29...(18) H ASP 71 - H GLN 68 far 0 58 0 - 4.6-5.3 H GLU 91 - H ALA 88 far 0 98 0 - 4.7-4.8 H VAL 133 - H ALA 88 far 0 60 0 - 7.9-9.4 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 89 100 100 4.5-5.5 4.9/7174=76, 3.6/7182=73...(10) HA GLN 61 - H GLN 68 far 0 67 0 - 8.3-9.7 HA ALA 28 - H GLN 68 far 0 46 0 - 8.4-25.3 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 2.5-3.6 4.5=56, 4.0/7170=47...(26) HB3 PHE 87 + H ALA 88 OK 99 100 100 99 2.6-3.1 4.5=56, 4.0/7170=47...(24) HD3 ARG 135 - H ALA 88 far 0 100 0 - 5.8-10.4 HA VAL 93 - H GLN 68 far 0 58 0 - 9.6-12.0 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 2.6-3.1 4.5=56, 4.0/7170=47...(24) HB2 PHE 87 + H ALA 88 OK 99 100 100 99 2.5-3.6 4.5=56, 4.0/7170=47...(26) HD3 ARG 135 - H ALA 88 far 0 100 0 - 5.8-10.4 HA VAL 93 - H GLN 68 far 0 65 0 - 9.6-12.0 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 3.9-4.5 4.2/7170=69, 9849/2.9=54...(16) H ARG 135 - H ALA 88 far 0 100 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 7182 from nnoeabs.peaks (7.27, 7.86, 121.70 ppm; 5.43 A): 1 out of 4 assignments used, quality = 1.00: H ASN 85 + H ALA 88 OK 100 100 100 100 5.0-5.5 2.9/7174=93...(14) HE ARG 84 - H ALA 88 poor 17 87 20 - 3.7-9.6 ! QE PHE 87 - H ALA 88 far 5 100 5 - 6.2-6.6 HD21 ASN 85 - H ALA 88 far 0 73 0 - 7.6-8.2 Violated in 1 structures by 0.00 A. Peak 7184 from nnoeabs.peaks (4.20, 7.86, 121.70 ppm; 3.70 A): 2 out of 4 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 3.4-3.6 3.6=100 HA ALA 29 - H GLN 68 far 0 50 0 - 7.5-21.2 HB THR 25 - H GLN 68 far 0 80 0 - 9.3-31.7 Violated in 0 structures by 0.00 A. Peak 7185 from nnoeabs.peaks (1.66, 7.86, 121.70 ppm; 2.87 A): 1 out of 11 assignments used, quality = 0.97: * QB ALA 88 + H ALA 88 OK 97 100 100 97 2.0-2.3 3.0=87, 2750/7174=28...(14) HB2 LEU 69 - H GLN 68 far 0 77 0 - 4.0-6.6 HG3 ARG 84 - H ALA 88 far 0 73 0 - 5.1-8.2 HG2 ARG 84 - H ALA 88 far 0 73 0 - 5.5-7.6 HD2 LYS 86 - H ALA 88 far 0 100 0 - 7.6-8.9 HD3 LYS 86 - H ALA 88 far 0 100 0 - 7.7-8.8 HD2 LYS 26 - H GLN 68 far 0 81 0 - 8.8-33.7 HD2 LYS 36 - H GLN 68 far 0 76 0 - 8.9-13.2 HD3 LYS 26 - H GLN 68 far 0 80 0 - 9.2-32.6 HD3 LYS 36 - H GLN 68 far 0 76 0 - 9.7-12.9 HD3 LYS 95 - H ALA 88 far 0 100 0 - 9.9-12.2 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 1 assignment used, quality = 1.00: * H PHE 89 + H ALA 88 OK 100 100 100 100 2.5-2.7 7193=95, 7195/7185=61...(14) 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 4.3-4.7 7209/7186=88...(10) H ALA 46 - H GLN 68 far 0 42 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 7188 from nnoeabs.peaks (8.69, 8.69, 120.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H PHE 89 OK 100 100 - 100 Peak 7189 from nnoeabs.peaks (4.81, 8.69, 120.07 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.94: * HA ASN 85 + H PHE 89 OK 94 100 100 94 3.9-4.2 2750/7195=62...(7) Violated in 18 structures by 0.12 A. Peak 7190 from nnoeabs.peaks (3.89, 8.69, 120.07 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 86 + H PHE 89 OK 100 100 100 100 3.3-3.6 2621=84, 9727/9869=62...(17) HB2 SER 94 - H PHE 89 far 0 92 0 - 8.8-9.9 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 3 assignments used, quality = 1.00: * H PHE 87 + H PHE 89 OK 100 100 100 100 3.6-3.9 7171=100, 7170/7186=96...(13) H GLU 91 + H PHE 89 OK 98 98 100 100 3.7-4.1 7228=97, 4.0/7209=91...(13) H VAL 133 - H PHE 89 poor 18 60 35 84 6.4-7.6 4.4/10551=53...(5) 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 2.5-2.7 7186=100, 7185/7195=63...(14) 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 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 7195 from nnoeabs.peaks (1.66, 8.69, 120.07 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 88 + H PHE 89 OK 100 100 100 100 2.8-3.0 3.7=86, 7185/7186=53...(15) HG3 ARG 84 - H PHE 89 far 0 73 0 - 6.9-9.8 HG2 ARG 84 - H PHE 89 far 0 73 0 - 7.4-9.4 HD3 LYS 86 - H PHE 89 far 0 100 0 - 7.5-7.9 HD2 LYS 86 - H PHE 89 far 0 100 0 - 7.5-8.1 HD3 LYS 95 - H PHE 89 far 0 100 0 - 9.1-11.3 HD2 LYS 95 - H PHE 89 far 0 99 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 7196 from nnoeabs.peaks (4.08, 8.69, 120.07 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + H PHE 89 OK 100 100 100 100 2.8-2.9 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 2.3-2.9 3.5=100 HB3 CYS 73 - H PHE 89 far 0 99 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 7198 from nnoeabs.peaks (3.33, 8.69, 120.07 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + H PHE 89 OK 100 100 100 100 2.3-2.9 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 - 7.5-9.9 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 3.9-4.2 4.2=100 HE ARG 135 - H PHE 89 far 0 93 0 - 7.8-11.0 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 2.5-2.9 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 3 assignments used, quality = 1.00: * H GLU 91 + H PHE 89 OK 100 100 100 100 3.7-4.1 7228=97, 7223/7209=85...(13) H PHE 87 + H PHE 89 OK 98 98 100 100 3.6-3.9 7171=97, 7170/7186=85...(13) H VAL 133 - H PHE 89 far 0 83 0 - 6.4-7.6 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 - 6.3-7.7 HA LEU 70 - H ARG 90 far 0 99 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 7206 from nnoeabs.peaks (4.26, 8.56, 117.97 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.99: * HA PHE 87 + H ARG 90 OK 99 100 100 99 3.6-4.3 2722=69, 2723/3.8=55...(13) HA SER 74 - H ARG 90 far 0 68 0 - 7.1-9.3 HA ARG 84 - H ARG 90 far 0 89 0 - 8.4-8.8 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 4.3-4.7 7187=100, 7186/7209=98...(10) 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 3 assignments used, quality = 1.00: * HA ALA 88 + H ARG 90 OK 100 100 100 100 4.4-4.9 3.6/7209=100...(10) HA SER 94 - H ARG 90 far 0 60 0 - 7.9-8.5 HA GLU 128 - H ARG 90 far 0 99 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 7209 from nnoeabs.peaks (8.69, 8.56, 117.97 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 89 + H ARG 90 OK 99 100 100 99 2.5-2.9 7202=84, 4.2/7213=35...(17) 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 - 8.9-11.2 HB3 SER 74 - H ARG 90 far 0 89 0 - 10.0-11.6 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 2.3-3.9 4.4=95, 2.7/7213=67...(14) HB3 PHE 89 + H ARG 90 OK 85 85 100 100 2.2-3.9 4.4=95, 2.7/7213=67...(13) HB3 CYS 73 - H ARG 90 far 0 99 0 - 5.8-9.0 Violated in 0 structures by 0.00 A. Peak 7212 from nnoeabs.peaks (3.33, 8.56, 117.97 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + H ARG 90 OK 100 100 100 100 2.2-3.9 4.4=95, 2.7/7213=67...(14) HB2 PHE 89 + H ARG 90 OK 85 85 100 100 2.3-3.9 4.4=95, 2.7/7213=67...(15) HB3 CYS 73 - H ARG 90 far 0 96 0 - 5.8-9.0 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 1 assignment used, quality = 1.00: * QD PHE 89 + H ARG 90 OK 100 100 100 100 3.0-4.1 5.0=67, 4.2/7209=56...(16) 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 2 assignments used, quality = 1.00: * HA ARG 90 + H ARG 90 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 133 - H ARG 90 far 0 65 0 - 8.5-9.4 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 2.3-3.6 3.8=100 HB2 LYS 95 - H ARG 90 far 0 73 0 - 8.3-10.0 HB2 ARG 135 - H ARG 90 far 0 97 0 - 9.6-11.6 HB3 ARG 84 - H ARG 90 far 0 98 0 - 9.9-11.0 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 3 assignments used, quality = 1.00: * HB3 ARG 90 + H ARG 90 OK 100 100 100 100 2.3-3.6 3.8=92, 2.9/7219=62...(15) HB3 LYS 86 - H ARG 90 far 0 100 0 - 5.4-6.3 HB2 LYS 95 - H ARG 90 far 0 93 0 - 8.3-10.0 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 5 assignments used, quality = 1.00: * HG2 ARG 90 + H ARG 90 OK 100 100 100 100 2.0-3.1 2814=64, 1.8/7220=61...(23) HB2 GLU 91 - H ARG 90 poor 19 63 30 - 4.3-5.7 HB3 GLU 91 - H ARG 90 far 5 97 5 - 4.3-6.0 HB ILE 129 - H ARG 90 far 0 83 0 - 8.3-9.5 HG3 ARG 135 - H ARG 90 far 0 97 0 - 9.2-11.1 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 5 assignments used, quality = 1.00: * HG3 ARG 90 + H ARG 90 OK 100 100 100 100 2.0-4.0 1.8/7219=84, 2823=79...(23) HG13 ILE 129 - H ARG 90 far 0 96 0 - 5.6-9.1 HB ILE 80 - H ARG 90 far 0 100 0 - 6.5-7.6 HG2 ARG 135 - H ARG 90 far 0 78 0 - 8.9-12.2 HB3 LEU 70 - H ARG 90 far 0 87 0 - 9.6-13.6 Violated in 4 structures by 0.01 A. Peak 7221 from nnoeabs.peaks (3.17, 8.56, 117.97 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + H ARG 90 OK 100 100 100 100 3.6-5.1 3.0/7219=87, 3.0/7220=81...(24) HD3 ARG 90 + H ARG 90 OK 100 100 100 100 3.5-5.2 3.0/7219=87, 3.0/7220=81...(23) HD3 ARG 84 - H ARG 90 far 0 68 0 - 8.6-13.2 HD2 ARG 84 - H ARG 90 far 0 68 0 - 8.7-13.3 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 4 assignments used, quality = 1.00: * HD3 ARG 90 + H ARG 90 OK 100 100 100 100 3.5-5.2 3.0/7219=93, 3.0/7220=88...(23) HD2 ARG 90 + H ARG 90 OK 100 100 100 100 3.6-5.1 3.0/7219=93, 3.0/7220=88...(24) HD3 ARG 84 - H ARG 90 far 0 63 0 - 8.6-13.2 HD2 ARG 84 - H ARG 90 far 0 63 0 - 8.7-13.3 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 3 assignments used, quality = 1.00: * H GLU 91 + H ARG 90 OK 100 100 100 100 2.4-2.5 7230=95, 7233/7218=46...(19) H PHE 87 - H ARG 90 far 0 98 0 - 4.7-5.0 H VAL 133 - H ARG 90 far 0 83 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 7224 from nnoeabs.peaks (7.82, 8.56, 117.97 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H ARG 90 OK 100 100 100 100 4.0-4.4 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 3 assignments used, quality = 1.00: * HA PHE 87 + H GLU 91 OK 100 100 100 100 3.7-4.4 7206/7223=76...(14) HA SER 74 - H GLU 91 far 0 68 0 - 8.6-10.8 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 3 assignments used, quality = 1.00: * HA ALA 88 + H GLU 91 OK 100 100 100 100 3.3-3.7 2747=98, 2868/2869=60...(15) HA SER 94 - H GLU 91 far 0 60 0 - 7.3-7.7 HA GLU 128 - H GLU 91 far 0 99 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 7228 from nnoeabs.peaks (8.69, 8.13, 119.27 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H GLU 91 OK 100 100 100 100 3.7-4.1 7209/7223=86...(13) 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 1 assignment used, quality = 1.00: * HA PHE 89 + H GLU 91 OK 100 100 100 100 4.4-4.8 7247/7250=80...(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 2.4-2.5 7223=100, 7218/7233=47...(19) Violated in 0 structures by 0.00 A. Peak 7231 from nnoeabs.peaks (3.79, 8.13, 119.27 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + H GLU 91 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7232 from nnoeabs.peaks (1.91, 8.13, 119.27 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + H GLU 91 OK 100 100 100 100 2.6-4.2 4.4=100 HB2 LYS 95 - H GLU 91 far 0 73 0 - 6.5-8.4 HB3 LYS 95 - H GLU 91 far 0 65 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 7233 from nnoeabs.peaks (1.95, 8.13, 119.27 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.98: * HB3 ARG 90 + H GLU 91 OK 98 100 100 98 2.5-4.0 4.4=65, 2.9/2822=49...(15) HB2 LYS 95 - H GLU 91 far 0 93 0 - 6.5-8.4 HB3 LYS 86 - H GLU 91 far 0 100 0 - 7.0-8.1 HB3 LYS 95 - H GLU 91 far 0 97 0 - 8.3-9.7 Violated in 5 structures by 0.02 A. Peak 7234 from nnoeabs.peaks (2.02, 8.13, 119.27 ppm; 3.65 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 91 + H GLU 91 OK 97 97 100 100 2.1-3.5 2869=82, 1.8/2861=70...(18) * HG2 ARG 90 + H GLU 91 OK 83 100 85 98 3.7-4.7 2822=61, 2.9/7233=54...(10) HB2 GLU 91 + H GLU 91 OK 63 63 100 100 2.1-3.3 4.0=77, 1.8/2869=68...(22) HB ILE 129 - H GLU 91 far 0 83 0 - 8.6-10.2 HG3 ARG 135 - H GLU 91 far 0 97 0 - 9.9-11.5 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 6 assignments used, quality = 1.00: * HG3 ARG 90 + H GLU 91 OK 100 100 100 100 2.2-5.3 1.8/2822=96, 2.9/7233=90...(11) HG13 ILE 129 - H GLU 91 far 5 96 5 - 6.1-9.2 HB ILE 80 - H GLU 91 far 0 100 0 - 8.9-9.9 HB3 LEU 70 - H GLU 91 far 0 87 0 - 9.8-14.1 HG2 ARG 135 - H GLU 91 far 0 78 0 - 9.8-13.2 HG LEU 98 - H GLU 91 far 0 76 0 - 10.0-12.5 Violated in 3 structures by 0.01 A. Peak 7236 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 6.24 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + H GLU 91 OK 100 100 100 100 3.9-6.6 3.0/2822=97, 3.8/7233=95...(9) HD3 ARG 90 + H GLU 91 OK 100 100 100 100 4.6-6.3 3.0/2822=97, 3.8/7233=95...(9) HD3 ARG 84 - H GLU 91 far 0 68 0 - 8.9-13.9 HD2 ARG 84 - H GLU 91 far 0 68 0 - 9.0-13.9 Violated in 0 structures by 0.00 A. Peak 7237 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + H GLU 91 OK 100 100 100 100 4.6-6.3 3.0/2822=100...(9) HD2 ARG 90 + H GLU 91 OK 100 100 100 100 3.9-6.6 3.0/2822=100...(9) HD3 ARG 84 - H GLU 91 far 0 63 0 - 8.9-13.9 HD2 ARG 84 - H GLU 91 far 0 63 0 - 9.0-13.9 Violated in 0 structures by 0.00 A. Peak 7238 from nnoeabs.peaks (3.98, 8.13, 119.27 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + H GLU 91 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 SER 94 - H GLU 91 far 0 99 0 - 5.1-7.3 Violated in 0 structures by 0.00 A. Peak 7239 from nnoeabs.peaks (1.99, 8.13, 119.27 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + H GLU 91 OK 100 100 100 100 2.1-3.3 2861=100, 1.8/2869=73...(23) HG2 ARG 90 + H GLU 91 OK 57 63 95 95 3.7-4.7 2.9/7233=58, 1.8/7235=39...(9) HB ILE 129 - H GLU 91 far 0 99 0 - 8.6-10.2 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 3 assignments used, quality = 1.00: * HB3 GLU 91 + H GLU 91 OK 100 100 100 100 2.1-3.5 2869=100, 1.8/2861=78...(18) HG2 ARG 90 + H GLU 91 OK 96 97 100 99 3.7-4.7 2822=70, 2.9/7233=60...(10) HG3 ARG 135 - H GLU 91 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (2.23, 8.13, 119.27 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + H GLU 91 OK 100 100 100 100 2.8-3.4 2876=95, 1.8/7242=70...(14) HB3 GLU 128 - H GLU 91 far 0 100 0 - 7.3-9.9 HB3 LEU 96 - H GLU 91 far 0 98 0 - 8.5-9.9 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 3 assignments used, quality = 1.00: * HG3 GLU 91 + H GLU 91 OK 100 100 100 100 3.8-4.3 2883=97, 1.8/7241=78...(17) HB2 GLU 128 - H GLU 91 far 0 63 0 - 6.7-10.1 HB2 GLU 97 - H GLU 91 far 0 60 0 - 9.8-12.3 Violated in 18 structures by 0.17 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=43...(17) Violated in 0 structures by 0.00 A. Peak 7245 from nnoeabs.peaks (7.82, 7.82, 123.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H ALA 92 OK 100 100 - 100 Peak 7246 from nnoeabs.peaks (4.20, 7.82, 123.43 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + H ALA 92 OK 100 100 100 100 3.7-4.5 2868/7253=67...(13) HA SER 94 - H ALA 92 far 0 60 0 - 6.8-7.1 HA GLU 128 - H ALA 92 far 0 99 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 7247 from nnoeabs.peaks (4.08, 7.82, 123.43 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: * HA PHE 89 + H ALA 92 OK 99 100 100 99 3.9-4.3 2897/7257=68, 2763=40...(16) Violated in 19 structures by 0.11 A. Peak 7248 from nnoeabs.peaks (8.56, 7.82, 123.43 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + H ALA 92 OK 100 100 100 100 4.0-4.4 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 1 assignment used, quality = 1.00: * HA ARG 90 + H ALA 92 OK 100 100 100 100 3.9-4.2 3.6/7250=94, 9884=91...(15) Violated in 0 structures by 0.00 A. Peak 7250 from nnoeabs.peaks (8.13, 7.82, 123.43 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + H ALA 92 OK 100 100 100 100 2.7-2.8 7243=84, 2861/7252=38...(17) H PHE 87 - H ALA 92 far 0 98 0 - 7.8-8.4 H VAL 133 - H ALA 92 far 0 83 0 - 8.4-9.5 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 - 5.1-7.1 HB2 SER 124 - H ALA 92 far 0 92 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 7252 from nnoeabs.peaks (1.99, 7.82, 123.43 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + H ALA 92 OK 100 100 100 100 3.5-4.1 2867=70, 1.8/2875=58...(22) HG2 ARG 90 - H ALA 92 far 0 63 0 - 5.8-6.7 HB ILE 129 - H ALA 92 far 0 99 0 - 6.6-8.1 Violated in 8 structures by 0.04 A. Peak 7253 from nnoeabs.peaks (2.03, 7.82, 123.43 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + H ALA 92 OK 100 100 100 100 3.4-4.1 2875=71, 1.8/2867=64...(19) HG2 ARG 90 - H ALA 92 far 0 97 0 - 5.8-6.7 HG3 ARG 135 - H ALA 92 far 0 100 0 - 9.6-11.5 HB2 GLN 127 - H ALA 92 far 0 73 0 - 9.9-11.7 Violated in 19 structures by 0.28 A. Peak 7254 from nnoeabs.peaks (2.23, 7.82, 123.43 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 91 + H ALA 92 OK 100 100 100 100 2.0-2.5 2882=88, 1.8/7255=75...(21) HB3 GLU 128 - H ALA 92 far 5 100 5 - 4.8-7.5 HB3 LEU 96 - H ALA 92 far 0 98 0 - 6.2-7.4 HB3 GLU 97 - H ALA 92 far 0 97 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 7255 from nnoeabs.peaks (2.11, 7.82, 123.43 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 91 + H ALA 92 OK 100 100 100 100 2.6-3.3 1.8/7254=79, 2889=75...(25) HB2 GLU 128 - H ALA 92 far 6 63 10 - 4.3-7.5 HB2 GLU 97 - H ALA 92 far 0 60 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 7256 from nnoeabs.peaks (4.05, 7.82, 123.43 ppm; 3.57 A): 1 out of 4 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 - 7.1-7.8 HA LEU 96 - H ALA 92 far 0 99 0 - 8.1-9.0 HA LEU 122 - H ALA 92 far 0 100 0 - 9.4-11.3 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 2.2-2.3 3.0=95, 7267/7258=30...(20) HG2 LYS 86 - H ALA 92 far 0 98 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 7258 from nnoeabs.peaks (8.43, 7.82, 123.43 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 93 + H ALA 92 OK 99 100 100 99 2.3-2.4 7265=69, 7267/7257=49...(16) H SER 74 - H ALA 92 far 0 63 0 - 9.7-11.3 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 4.1-4.5 7277=81, 7279/7258=70...(19) H ILE 129 - H ALA 92 far 0 97 0 - 5.6-7.2 Violated in 5 structures by 0.03 A. Peak 7260 from nnoeabs.peaks (8.43, 8.43, 119.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 93 + H VAL 93 OK 100 100 - 100 Peak 7261 from nnoeabs.peaks (4.08, 8.43, 119.94 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + H VAL 93 OK 100 100 100 100 4.0-5.0 2897/7267=100...(6) HB2 SER 74 - H VAL 93 far 0 87 0 - 8.3-11.1 HB3 SER 74 - H VAL 93 far 0 89 0 - 9.7-11.9 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 4 assignments used, quality = 1.00: * HA ARG 90 + H VAL 93 OK 100 100 100 100 2.8-3.4 2792=100, 9953/2918=78...(13) HA SER 130 - H VAL 93 far 0 96 0 - 9.1-10.0 HB3 SER 130 - H VAL 93 far 0 83 0 - 9.9-11.2 HA VAL 133 - H VAL 93 far 0 65 0 - 9.9-11.2 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 4 assignments used, quality = 1.00: * H GLU 91 + H VAL 93 OK 100 100 100 100 4.0-4.4 7250/7258=81...(9) H VAL 133 - H VAL 93 far 0 83 0 - 8.1-9.7 H PHE 87 - H VAL 93 far 0 98 0 - 9.1-9.5 H ASP 71 - H VAL 93 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 7264 from nnoeabs.peaks (3.98, 8.43, 119.94 ppm; 5.39 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 91 + H VAL 93 OK 100 100 100 100 4.4-5.0 3.6/7258=91, 2.9/7263=82...(9) HB3 SER 94 + H VAL 93 OK 80 99 85 96 4.6-6.5 3.6/7279=89, 4.4/7273=54 HB3 SER 99 - H VAL 93 far 0 71 0 - 9.6-12.6 HA GLN 127 - H VAL 93 far 0 97 0 - 9.9-10.5 HB2 SER 124 - H VAL 93 far 0 92 0 - 9.9-11.1 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 2.3-2.4 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 - 6.7-7.1 HA LEU 96 - H VAL 93 far 0 99 0 - 6.8-7.4 HB2 SER 74 - H VAL 93 far 0 83 0 - 8.3-11.1 HA LEU 122 - H VAL 93 far 0 100 0 - 8.5-10.0 HB3 SER 74 - H VAL 93 far 0 81 0 - 9.7-11.9 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...(18) HG2 LYS 86 - H VAL 93 far 0 98 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 7268 from nnoeabs.peaks (3.25, 8.43, 119.94 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 93 + H VAL 93 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 PHE 87 - H VAL 93 far 0 89 0 - 8.8-9.5 HB2 PHE 87 - H VAL 93 far 0 81 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 7269 from nnoeabs.peaks (1.83, 8.43, 119.94 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 93 + H VAL 93 OK 100 100 100 100 2.2-2.5 2.1/2918=77, 4.0=73...(11) HB2 LEU 100 - H VAL 93 far 0 99 0 - 9.9-12.3 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 2.2-2.7 2918=100, 2.1/7269=58...(16) QD1 ILE 80 - H VAL 93 far 0 83 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 7271 from nnoeabs.peaks (0.75, 8.43, 119.94 ppm; 3.70 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 93 + H VAL 93 OK 100 100 100 100 3.6-3.8 3.9=83, 2.1/2918=81...(12) QD2 LEU 96 + H VAL 93 OK 77 100 80 96 4.0-5.0 11806/2.9=47...(18) HG12 ILE 129 + H VAL 93 OK 24 100 25 96 3.2-5.7 2.1/9965=44...(13) QD1 LEU 96 - H VAL 93 far 0 78 0 - 6.4-6.9 QD2 LEU 43 - H VAL 93 far 0 100 0 - 9.0-10.5 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 2.8-3.0 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 3.8-4.3 7292=99, 3.4/7279=94...(15) 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 3 assignments used, quality = 1.00: * HA ARG 90 + H SER 94 OK 100 100 100 100 2.9-3.7 2793/7281=67...(11) HB3 SER 130 - H SER 51 far 0 73 0 - 9.4-11.2 HB2 SER 130 - H SER 51 far 0 54 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 7276 from nnoeabs.peaks (3.98, 7.99, 115.96 ppm; 3.49 A): 4 out of 7 assignments used, quality = 1.00: HB3 SER 94 + H SER 94 OK 92 99 100 93 2.2-3.6 3.6=88, 7297/3.4=33...(4) HB3 SER 51 + H SER 51 OK 92 94 100 98 2.1-3.1 3.8=75, 1.8/1616=71...(10) HA SER 50 + H SER 51 OK 80 81 100 99 3.5-3.5 3.6=94, 3.0/1601=39...(11) * HA GLU 91 + H SER 94 OK 56 100 65 86 4.2-4.5 3.6/7259=36, 2857=32...(8) HA GLN 127 - H SER 51 far 0 88 0 - 7.8-9.1 HB3 SER 99 - H SER 94 far 0 71 0 - 8.8-12.1 HA THR 65 - H SER 51 far 0 89 0 - 9.2-10.4 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 4.1-4.5 7259=100, 7258/7279=77...(19) 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 4.4-5.0 3.6/7279=83, 2.9/7259=80...(15) HA LYS 95 + H SER 94 OK 59 63 100 94 5.3-5.5 3.0/9221=47, 3.6/7288=43...(10) HB2 SER 74 - H SER 94 far 0 83 0 - 6.9-10.0 HA LEU 96 - H SER 94 far 0 99 0 - 6.9-7.2 HB THR 65 - H SER 51 far 0 77 0 - 7.2-8.5 HA GLU 44 - H SER 51 far 0 94 0 - 8.3-9.3 HB3 SER 74 - H SER 94 far 0 81 0 - 8.4-11.1 HA LEU 122 - H SER 94 far 0 100 0 - 9.0-10.3 HA LEU 119 - H SER 51 far 0 69 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 7279 from nnoeabs.peaks (8.43, 7.99, 115.96 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + H SER 94 OK 100 100 100 100 2.8-3.0 3.6=87, 2918/7282=45...(15) H ASP 47 - H SER 51 far 0 66 0 - 6.0-7.0 H SER 74 - H SER 94 far 0 63 0 - 7.3-9.3 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 2 assignments used, quality = 1.00: * HA VAL 93 + H SER 94 OK 100 100 100 100 3.6-3.6 3.6=100 HB3 PHE 87 - H SER 94 far 0 89 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 7281 from nnoeabs.peaks (1.83, 7.99, 115.96 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 93 + H SER 94 OK 100 100 100 100 2.2-2.7 2.1/7283=67, 2.1/7282=59...(22) HB3 LEU 123 - H SER 51 far 0 78 0 - 5.6-8.5 HB2 LEU 100 - H SER 94 far 0 99 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 7282 from nnoeabs.peaks (0.29, 7.99, 115.96 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + H SER 94 OK 100 100 100 100 3.7-4.1 2.1/7283=78, 2.1/7281=77...(28) QD1 ILE 80 - H SER 94 far 0 83 0 - 8.1-9.0 Violated in 17 structures by 0.08 A. Peak 7283 from nnoeabs.peaks (0.75, 7.99, 115.96 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + H SER 94 OK 100 100 100 100 2.5-3.0 2929=70, 2.1/7281=67...(22) QD2 LEU 96 - H SER 94 far 0 100 0 - 4.6-5.6 HG12 ILE 129 - H SER 94 far 0 100 0 - 6.1-8.1 QD1 LEU 96 - H SER 94 far 0 78 0 - 6.5-7.2 QD1 LEU 96 - H SER 51 far 0 69 0 - 9.0-11.1 QD2 LEU 43 - H SER 51 far 0 93 0 - 9.4-11.3 QD2 LEU 103 - H SER 51 far 0 90 0 - 9.9-13.1 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 5 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 - 7.5-8.2 HA SER 124 - H SER 51 far 0 91 0 - 9.7-10.9 HA HIS 67 - H SER 94 far 0 92 0 - 9.8-12.6 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 5 assignments used, quality = 1.00: * HB2 SER 94 + H SER 94 OK 100 100 100 100 2.2-2.9 3.6=100 HB3 SER 50 + H SER 51 OK 81 84 100 96 2.6-4.1 1.8/1601=60, 4.7=57...(18) HA LEU 70 - H SER 94 far 0 81 0 - 5.9-8.4 HA ALA 46 - H SER 51 far 0 92 0 - 6.7-7.9 HA LYS 86 - H SER 94 far 0 92 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 7286 from nnoeabs.peaks (3.97, 7.99, 115.96 ppm; 3.50 A): 5 out of 7 assignments used, quality = 1.00: * HB3 SER 94 + H SER 94 OK 94 100 100 94 2.2-3.6 3.6=89, 7297/3.4=34...(4) HB3 SER 51 + H SER 51 OK 88 90 100 98 2.1-3.1 3.8=75, 1.8/1616=71...(10) HA SER 50 + H SER 51 OK 64 64 100 99 3.5-3.5 3.6=95, 3.0/1601=39...(11) HA GLU 91 + H SER 94 OK 55 99 65 85 4.2-4.5 3.6/7259=36, 2857=32...(8) HB2 SER 51 + H SER 51 OK 44 49 100 89 2.2-3.5 3.8=75, 1620/3.1=20...(9) HA GLN 127 - H SER 51 far 0 94 0 - 7.8-9.1 HA THR 65 - H SER 51 far 0 94 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 7287 from nnoeabs.peaks (7.71, 7.99, 115.96 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + H SER 94 OK 100 100 100 100 2.7-2.9 3.4=100 H LEU 53 + H SER 51 OK 85 90 100 94 3.8-4.4 6658=47, 9219/1616=38...(14) H CYS 45 - H SER 51 far 0 77 0 - 9.4-10.2 H GLN 101 - H SER 94 far 0 65 0 - 10.0-11.1 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 100 100 100 100 4.1-4.4 7311/3.6=63...(16) H LEU 49 + H SER 51 OK 53 54 100 98 3.9-4.5 6610=48, 3.6/1491=35...(20) H SER 99 - H SER 94 far 0 89 0 - 7.9-9.1 H LEU 123 - H SER 51 far 0 82 0 - 8.1-10.5 H VAL 126 - H SER 94 far 0 90 0 - 9.0-9.9 H VAL 126 - H SER 51 far 0 81 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 7289 from nnoeabs.peaks (7.71, 7.71, 121.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 95 + H LYS 95 OK 100 100 - 100 Peak 7290 from nnoeabs.peaks (3.98, 7.71, 121.43 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.90: HB3 SER 94 + H LYS 95 OK 86 99 100 87 2.7-4.0 4.4=76, ~7313=18...(6) * HA GLU 91 + H LYS 95 OK 27 100 35 78 4.7-5.4 4.9/2894=33, 2858/4.4=32...(6) HB3 SER 99 - H LYS 95 far 0 71 0 - 6.5-9.9 HB2 SER 124 - H LYS 95 far 0 92 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 7291 from nnoeabs.peaks (4.05, 7.71, 121.43 ppm; 4.27 A): 3 out of 5 assignments used, quality = 1.00: * HA ALA 92 + H LYS 95 OK 100 100 100 100 3.4-3.7 2894=80, 3.6/7273=38...(20) HA LEU 96 + H LYS 95 OK 91 99 95 97 4.9-5.2 3.0/9975=50, 3.6/7308=45...(19) HA LYS 95 + H LYS 95 OK 63 63 100 100 2.8-2.9 2.9=100 HA LEU 122 - H LYS 95 far 0 100 0 - 6.9-8.4 HB2 SER 74 - H LYS 95 far 0 83 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 7292 from nnoeabs.peaks (8.43, 7.71, 121.43 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + H LYS 95 OK 100 100 100 100 3.8-4.3 7273=100, 7279/3.4=94...(15) H SER 74 - H LYS 95 far 0 63 0 - 9.4-11.4 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 3.8-4.3 7311/3.1=88...(28) HB2 HIS 5 - H LYS 95 far 0 85 0 - 8.3-68.3 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 - 8.0-8.8 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 4 assignments used, quality = 1.00: * HA SER 94 + H LYS 95 OK 100 100 100 100 3.4-3.5 3.6=100 HA ALA 88 - H LYS 95 far 0 60 0 - 8.1-9.1 HA SER 99 - H LYS 95 far 0 92 0 - 8.5-9.8 HA HIS 67 - H LYS 95 far 0 92 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 7296 from nnoeabs.peaks (3.90, 7.71, 121.43 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 94 + H LYS 95 OK 100 100 100 100 3.7-4.3 4.4=100 HA LEU 70 - H LYS 95 far 0 81 0 - 7.3-9.3 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 2.7-4.0 4.4=73, ~7313=17...(6) HA GLU 91 - H LYS 95 poor 19 99 25 77 4.7-5.4 4.9/2894=32, 2858/4.4=31...(6) HB2 SER 124 - H LYS 95 far 0 76 0 - 9.2-10.6 Violated in 1 structures by 0.00 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 2.8-2.9 2.9=100 HA ALA 92 + H LYS 95 OK 60 63 100 96 3.4-3.7 3.6/7273=33, 2894=32...(20) HA LEU 96 - H LYS 95 far 0 78 0 - 4.9-5.2 HB3 SER 99 - H LYS 95 far 0 93 0 - 6.5-9.9 HB2 SER 124 - H LYS 95 far 0 73 0 - 9.2-10.6 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 4 assignments used, quality = 1.00: * HB2 LYS 95 + H LYS 95 OK 99 100 100 99 2.2-2.9 4.0=79, 9221/3.4=29...(24) HB3 LYS 95 + H LYS 95 OK 98 100 100 98 3.5-3.6 4.0=79, 3.7/7304=21...(22) HB3 ARG 90 - H LYS 95 far 0 93 0 - 6.2-7.8 HB2 ARG 90 - H LYS 95 far 0 73 0 - 6.4-8.2 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 4 assignments used, quality = 1.00: HB2 LYS 95 + H LYS 95 OK 99 100 100 99 2.2-2.9 4.0=79, 9221/3.4=29...(24) * HB3 LYS 95 + H LYS 95 OK 98 100 100 98 3.5-3.6 4.0=79, 3.7/7304=21...(22) HB3 ARG 90 - H LYS 95 far 0 97 0 - 6.2-7.8 HB2 ARG 90 - H LYS 95 far 0 65 0 - 6.4-8.2 Violated in 0 structures by 0.00 A. Peak 7301 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 4.28 A): 3 out of 5 assignments used, quality = 1.00: * HG2 LYS 95 + H LYS 95 OK 100 100 100 100 1.9-4.4 4.6=81, 3.0/7299=36...(36) HG3 LYS 95 + H LYS 95 OK 100 100 100 100 2.8-4.3 4.6=81, 3.0/7299=36...(35) HG LEU 96 + H LYS 95 OK 38 97 40 98 5.0-5.9 3.0/9975=50, 3083/3.1=39...(19) HB2 LEU 96 - H LYS 95 far 10 99 10 - 4.1-6.0 HB3 LEU 100 - H LYS 95 far 0 99 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 7302 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 4.28 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 95 + H LYS 95 OK 100 100 100 100 2.8-4.3 4.6=81, 3.0/7299=36...(35) HG2 LYS 95 + H LYS 95 OK 100 100 100 100 1.9-4.4 4.6=81, 3.0/7299=36...(36) HG LEU 96 + H LYS 95 OK 38 96 40 98 5.0-5.9 3.0/9975=50, 3083/3.1=38...(19) HB2 LEU 96 - H LYS 95 far 10 100 10 - 4.1-6.0 HB3 LEU 100 - H LYS 95 far 0 99 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 7303 from nnoeabs.peaks (1.65, 7.71, 121.43 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 95 + H LYS 95 OK 100 100 100 100 2.0-4.6 5.5=39, 3.7/7299=28...(49) HD3 LYS 95 + H LYS 95 OK 100 100 100 100 2.1-4.5 5.5=39, 3.7/7299=28...(49) HB2 LEU 98 - H LYS 95 far 0 100 0 - 5.0-7.8 QB ALA 88 - H LYS 95 far 0 99 0 - 8.0-9.1 HB2 LEU 69 - H LYS 95 far 0 92 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 7304 from nnoeabs.peaks (1.66, 7.71, 121.43 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 95 + H LYS 95 OK 100 100 100 100 2.1-4.5 5.5=39, 3.7/7299=28...(49) HD2 LYS 95 + H LYS 95 OK 100 100 100 100 2.0-4.6 5.5=39, 3.7/7299=28...(49) HB2 LEU 98 - H LYS 95 far 0 99 0 - 5.0-7.8 QB ALA 88 - H LYS 95 far 0 100 0 - 8.0-9.1 HB2 LEU 69 - H LYS 95 far 0 97 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 7305 from nnoeabs.peaks (2.88, 7.71, 121.43 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + H LYS 95 OK 100 100 100 100 4.2-5.4 6.7=100 * HE2 LYS 95 + H LYS 95 OK 100 100 100 100 4.2-5.3 6.7=100 Violated in 0 structures by 0.00 A. Peak 7306 from nnoeabs.peaks (2.88, 7.71, 121.43 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + H LYS 95 OK 100 100 100 100 4.2-5.4 6.7=100 HE2 LYS 95 + H LYS 95 OK 100 100 100 100 4.2-5.3 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 2.3-2.6 3.1=100 H SER 99 - H LYS 95 far 0 89 0 - 5.9-7.1 H VAL 126 - H LYS 95 far 0 90 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 7308 from nnoeabs.peaks (8.50, 7.71, 121.43 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + H LYS 95 OK 100 100 100 100 3.7-4.1 7330/3.1=91, 7335=77...(18) H LEU 100 - H LYS 95 far 0 95 0 - 7.5-8.7 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 6 assignments used, quality = 1.00: * HA ALA 92 + H LEU 96 OK 100 100 100 100 4.0-4.8 2894/3.1=63, 4.9/7311=48...(20) HA LEU 96 + H LEU 96 OK 99 99 100 100 2.8-2.9 2.9=100 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 48 100 50 96 4.8-6.1 3067/3.8=23, 3100/4.6=21...(35) HB2 SER 74 - H LEU 96 far 0 83 0 - 9.2-12.4 HB3 SER 124 - H LEU 96 far 0 87 0 - 9.3-10.6 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 3.0-3.3 2908=63, 2919/11425=53...(28) HB2 HIS 5 - H LEU 96 far 0 85 0 - 8.7-66.4 Violated in 0 structures by 0.00 A. Peak 7312 from nnoeabs.peaks (7.99, 8.27, 124.81 ppm; 6.79 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + H LEU 96 OK 100 100 100 100 4.1-4.4 3.6/7311=98...(16) H ILE 129 + H LEU 96 OK 90 97 95 98 7.1-7.8 7873/9982=89...(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 5 assignments used, quality = 1.00: * HA SER 94 + H LEU 96 OK 100 100 100 100 4.2-4.7 7334/7330=89...(18) HA SER 99 - H LEU 96 far 0 92 0 - 7.4-8.4 HA HIS 67 - H LEU 96 far 0 92 0 - 8.5-10.8 HA SER 124 - H LEU 96 far 0 99 0 - 9.2-10.3 HA ALA 88 - H LEU 96 far 0 60 0 - 9.3-10.6 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 2.3-2.6 3.1=100 H GLN 101 - H LEU 96 far 0 65 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 7315 from nnoeabs.peaks (4.02, 8.27, 124.81 ppm; 4.51 A): 3 out of 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 93 4.0-4.8 4.9/7311=46, 2894/3.1=30...(20) HB3 SER 99 - H LEU 96 far 9 93 10 - 5.0-8.2 HB2 SER 124 - H LEU 96 far 0 73 0 - 8.0-9.3 HB3 SER 124 - H LEU 96 far 0 97 0 - 9.3-10.6 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 4 assignments used, quality = 1.00: * HB2 LYS 95 + H LEU 96 OK 100 100 100 100 2.6-3.1 4.6=86, 7299/3.1=37...(39) HB3 LYS 95 + H LEU 96 OK 100 100 100 100 3.3-4.0 4.6=86, 7299/3.1=37...(36) HB3 ARG 90 - H LEU 96 far 0 93 0 - 7.7-9.5 HB2 ARG 90 - H LEU 96 far 0 73 0 - 8.2-9.6 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 4 assignments used, quality = 1.00: HB2 LYS 95 + H LEU 96 OK 100 100 100 100 2.6-3.1 4.6=86, 7300/3.1=37...(39) * HB3 LYS 95 + H LEU 96 OK 100 100 100 100 3.3-4.0 4.6=86, 7300/3.1=37...(36) HB3 ARG 90 - H LEU 96 far 0 97 0 - 7.7-9.5 HB2 ARG 90 - H LEU 96 far 0 65 0 - 8.2-9.6 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 5 assignments used, quality = 1.00: * HG2 LYS 95 + H LEU 96 OK 99 100 100 99 3.5-5.4 3.0/7316=34, 3.0/7317=34...(34) HG3 LYS 95 + H LEU 96 OK 99 100 100 99 4.6-5.2 3.0/7316=34, 3.0/7317=34...(33) HB2 LEU 96 + H LEU 96 OK 99 99 100 100 2.0-3.5 3.8=100 HG LEU 96 + H LEU 96 OK 97 97 100 100 3.1-3.9 5.0=78, ~3092=52...(27) HB3 LEU 100 - H LEU 96 far 0 99 0 - 6.5-9.0 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 5 assignments used, quality = 1.00: HB2 LEU 96 + H LEU 96 OK 100 100 100 100 2.0-3.5 3.8=100 HG2 LYS 95 + H LEU 96 OK 99 100 100 99 3.5-5.4 3.0/7316=34, 3.0/7317=34...(34) * HG3 LYS 95 + H LEU 96 OK 99 100 100 99 4.6-5.2 3.0/7316=34, 3.0/7317=34...(33) HG LEU 96 + H LEU 96 OK 96 96 100 100 3.1-3.9 5.0=78, ~3092=52...(27) HB3 LEU 100 - H LEU 96 far 0 99 0 - 6.5-9.0 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 5 assignments used, quality = 1.00: * HD2 LYS 95 + H LEU 96 OK 100 100 100 100 4.2-5.8 7303/3.1=47, 3.7/7316=42...(31) HD3 LYS 95 + H LEU 96 OK 100 100 100 100 4.2-5.7 7303/3.1=47, 3.7/7316=42...(31) HB2 LEU 98 + H LEU 96 OK 30 100 30 100 4.8-7.4 3158/3.6=92...(18) HB2 LEU 69 - H LEU 96 far 0 92 0 - 7.2-10.9 QB ALA 88 - H LEU 96 far 0 99 0 - 8.7-10.0 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 5 assignments used, quality = 1.00: * HD3 LYS 95 + H LEU 96 OK 100 100 100 100 4.2-5.7 7304/3.1=47, 3.7/7316=42...(31) HD2 LYS 95 + H LEU 96 OK 100 100 100 100 4.2-5.8 7304/3.1=47, 3.7/7316=42...(31) HB2 LEU 98 + H LEU 96 OK 30 99 30 100 4.8-7.4 3158/3.6=91, 3.9/7331=50...(18) HB2 LEU 69 - H LEU 96 far 0 97 0 - 7.2-10.9 QB ALA 88 - H LEU 96 far 0 100 0 - 8.7-10.0 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 6 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 4.0-4.8 2894/3.1=62, 4.9/7311=48...(20) 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 47 99 50 96 4.8-6.1 3067/3.8=20, 3100/4.6=19...(35) HB2 SER 74 - H LEU 96 far 0 68 0 - 9.2-12.4 HB3 SER 124 - H LEU 96 far 0 96 0 - 9.3-10.6 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 5 assignments used, quality = 1.00: * HB2 LEU 96 + H LEU 96 OK 100 100 100 100 2.0-3.5 3.8=100 HG3 LYS 95 + H LEU 96 OK 99 100 100 99 4.6-5.2 3.0/7316=34, 3.0/7317=34...(33) HG2 LYS 95 + H LEU 96 OK 99 99 100 99 3.5-5.4 3.0/7316=34, 3.0/7317=34...(34) HG LEU 96 + H LEU 96 OK 89 89 100 100 3.1-3.9 5.0=77, ~3092=52...(26) HB3 LEU 100 - H LEU 96 far 0 100 0 - 6.5-9.0 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 2.0-3.2 3.8=100 HB3 GLU 97 - H LEU 96 far 0 83 0 - 5.0-6.3 HB3 GLU 128 - H LEU 96 far 0 97 0 - 7.3-9.5 HG2 GLU 91 - H LEU 96 far 0 98 0 - 7.4-8.4 HB3 GLN 127 - H LEU 96 far 0 97 0 - 9.5-11.4 HB2 GLN 101 - H LEU 96 far 0 57 0 - 9.8-11.1 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 5 assignments used, quality = 1.00: * HG LEU 96 + H LEU 96 OK 100 100 100 100 3.1-3.9 5.0=77, ~3092=52...(27) HG2 LYS 95 + H LEU 96 OK 97 97 100 99 3.5-5.4 3.0/7316=34, 3.0/7317=34...(34) HG3 LYS 95 + H LEU 96 OK 95 96 100 99 4.6-5.2 3.0/7316=34, 3.0/7317=34...(33) HB2 LEU 96 + H LEU 96 OK 89 89 100 100 2.0-3.5 3.8=100 HB3 LEU 100 - H LEU 96 far 0 87 0 - 6.5-9.0 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: * QD2 LEU 96 + H LEU 96 OK 100 100 100 100 3.3-4.0 3092/2.9=62...(27) QG1 VAL 93 + H LEU 96 OK 100 100 100 100 4.1-4.5 11432=53, 2.1/11425=52...(25) QD1 LEU 96 + H LEU 96 OK 74 76 100 97 4.2-4.4 4.6=55, 2.1/3083=37...(20) HG12 ILE 129 - H LEU 96 far 0 100 0 - 6.0-6.7 QD2 LEU 103 - H LEU 96 far 0 99 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 7329 from nnoeabs.peaks (0.77, 8.27, 124.81 ppm; 4.04 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 96 + H LEU 96 OK 99 100 100 99 4.2-4.4 4.6=66, 3100/2.9=46...(20) QG1 VAL 93 + H LEU 96 OK 78 78 100 100 4.1-4.5 2.1/11425=59...(25) QD2 LEU 96 + H LEU 96 OK 76 76 100 100 3.3-4.0 5.1=51, 3092/2.9=45...(27) QD2 LEU 122 - H LEU 96 poor 20 92 25 85 4.6-7.4 3901/2.9=16...(32) HG12 ILE 129 - H LEU 96 far 0 78 0 - 6.0-6.7 QD2 LEU 49 - H LEU 96 far 0 71 0 - 7.2-9.8 QD1 LEU 53 - H LEU 96 far 0 78 0 - 8.7-12.7 QD1 LEU 103 - H LEU 96 far 0 97 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 7330 from nnoeabs.peaks (8.50, 8.27, 124.81 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 97 + H LEU 96 OK 98 100 100 98 2.4-2.8 3.7=71, 7308/3.1=27...(22) H LEU 100 - H LEU 96 far 0 95 0 - 5.7-6.9 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 3.9-4.6 3.9/7330=100...(19) 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 2 assignments used, quality = 1.00: * HA VAL 93 + H GLU 97 OK 100 100 100 100 3.8-4.5 7311/7330=99...(17) HB2 HIS 5 - H GLU 97 far 0 85 0 - 8.8-64.6 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 3.5-3.9 2935=98, 3117/7345=71...(17) HA HIS 67 - H GLU 97 far 0 92 0 - 6.4-9.1 HA SER 99 - H GLU 97 far 0 92 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 7335 from nnoeabs.peaks (7.71, 8.50, 119.00 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 95 + H GLU 97 OK 100 100 100 100 3.7-4.1 7308=93, 3.1/7330=89...(18) H GLN 101 + H GLU 97 OK 30 65 50 91 5.3-6.4 ~3114=21, 4.6/3241=21...(17) 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 3.9-4.4 11341=100, 3.6/7330=92...(14) 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 14 93 15 - 5.0-7.6 HA ALA 92 - H GLU 97 far 0 63 0 - 6.6-7.0 HB2 SER 124 - H GLU 97 far 0 73 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 7337 from nnoeabs.peaks (8.27, 8.50, 119.00 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 96 + H GLU 97 OK 100 100 100 100 2.4-2.8 3.7=100 H SER 99 + H GLU 97 OK 87 89 100 98 3.9-4.7 7375/3.9=47, 7385=36...(27) H VAL 126 - H GLU 97 far 0 90 0 - 7.0-7.9 H LEU 69 - H GLU 97 far 0 73 0 - 8.2-10.6 H LEU 123 - H GLU 97 far 0 92 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 7338 from nnoeabs.peaks (4.04, 8.50, 119.00 ppm; 5.39 A): 3 out of 7 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 3.9-4.4 3.6/7330=92, 2.9/7308=77...(14) HA LEU 122 + H GLU 97 OK 53 99 65 83 5.6-6.8 3092/3098=25...(14) HA ALA 92 - H GLU 97 far 0 99 0 - 6.6-7.0 HB2 SER 74 - H GLU 97 far 0 68 0 - 7.7-11.3 HB3 SER 74 - H GLU 97 far 0 65 0 - 8.9-12.6 HA GLU 102 - H GLU 97 far 0 98 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 7339 from nnoeabs.peaks (1.38, 8.50, 119.00 ppm; 4.37 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 96 + H GLU 97 OK 99 100 100 99 3.1-4.3 4.4=99 HG LEU 96 + H GLU 97 OK 89 89 100 100 2.2-2.9 2.1/3098=81, 5.0/7330=49...(30) HB3 LEU 100 + H GLU 97 OK 65 100 65 100 4.5-6.8 ~3115=50, ~3115=46...(31) HG2 LYS 95 - H GLU 97 far 0 99 0 - 5.5-7.3 HG3 LYS 95 - H GLU 97 far 0 100 0 - 5.9-6.7 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 6 assignments used, quality = 1.00: * HB3 LEU 96 + H GLU 97 OK 100 100 100 100 3.0-4.3 4.4=67, 3.8/7330=54...(23) HB3 GLU 97 + H GLU 97 OK 83 83 100 100 2.6-3.6 4.0=91, 1.8/7345=79...(17) HB2 GLN 101 - H GLU 97 far 0 57 0 - 7.3-8.8 HB3 GLU 102 - H GLU 97 far 0 99 0 - 9.1-12.0 HB3 GLU 128 - H GLU 97 far 0 97 0 - 9.5-11.8 HG2 GLU 91 - H GLU 97 far 0 98 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 7341 from nnoeabs.peaks (1.40, 8.50, 119.00 ppm; 4.79 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 96 + H GLU 97 OK 100 100 100 100 2.2-2.9 2.1/3098=90, 5.0/7330=58...(31) HB2 LEU 96 + H GLU 97 OK 89 89 100 100 3.1-4.3 4.4=100 HB3 LEU 100 + H GLU 97 OK 69 87 80 100 4.5-6.8 ~3115=59, ~3115=55...(31) HG2 LYS 95 - H GLU 97 far 10 97 10 - 5.5-7.3 HG3 LYS 95 - H GLU 97 far 0 96 0 - 5.9-6.7 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 3.3-4.0 3098=100, 11809/2.8=63...(22) QG1 VAL 93 + H GLU 97 OK 99 100 100 99 3.5-4.1 11432/7330=47...(19) QD1 LEU 96 + H GLU 97 OK 76 76 100 100 3.3-4.1 2.1/3098=75, 4.6/7330=48...(24) QD2 LEU 103 - H GLU 97 far 0 99 0 - 7.5-10.5 HG12 ILE 129 - H GLU 97 far 0 100 0 - 7.6-8.3 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 3.3-4.1 2.1/3098=79, 3106=54...(25) QG1 VAL 93 + H GLU 97 OK 76 78 100 97 3.5-4.1 11432/7330=35...(18) QD2 LEU 96 + H GLU 97 OK 76 76 100 100 3.3-4.0 3098=65, 5.1/7330=46...(22) QD2 LEU 122 + H GLU 97 OK 28 92 50 62 4.5-6.7 3901/3.6=15...(14) QD2 LEU 49 - H GLU 97 far 0 71 0 - 6.9-9.7 HG12 ILE 129 - H GLU 97 far 0 78 0 - 7.6-8.3 QD1 LEU 103 - H GLU 97 far 0 97 0 - 8.0-10.4 QG1 VAL 63 - H GLU 97 far 0 97 0 - 8.3-10.8 QD1 LEU 53 - H GLU 97 far 0 78 0 - 8.8-13.5 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 2.8-2.9 2.8=100 HB2 SER 99 - H GLU 97 far 0 100 0 - 5.2-6.9 Violated in 0 structures by 0.00 A. Peak 7345 from nnoeabs.peaks (2.14, 8.50, 119.00 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + H GLU 97 OK 100 100 100 100 2.1-3.6 3118=85, 2.9/7348=53...(14) HB3 LEU 69 - H GLU 97 far 0 65 0 - 6.5-10.8 HG3 GLU 91 - H GLU 97 far 0 60 0 - 9.4-9.9 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 6 assignments used, quality = 1.00: * HB3 GLU 97 + H GLU 97 OK 100 100 100 100 2.6-3.6 4.0=88, 1.8/7345=78...(16) HB3 LEU 96 + H GLU 97 OK 82 83 100 99 3.0-4.3 4.4=65, 3.8/7330=53...(23) HB2 GLN 101 - H GLU 97 far 0 97 0 - 7.3-8.8 HB3 GLU 102 - H GLU 97 far 0 95 0 - 9.1-12.0 HB3 GLU 128 - H GLU 97 far 0 98 0 - 9.5-11.8 HG2 GLU 91 - H GLU 97 far 0 97 0 - 9.6-10.4 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 1.9-4.2 4.6=100 HB3 GLN 101 - H GLU 97 far 0 60 0 - 5.6-9.0 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 1.9-4.1 3140=98, 1.8/3133=71...(20) HG2 GLN 101 - H GLU 97 far 0 100 0 - 5.7-8.1 HG3 GLU 128 - H GLU 97 far 0 100 0 - 9.0-12.2 Violated in 1 structures by 0.01 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 2.5-2.8 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 5 assignments used, quality = 1.00: * H SER 99 + H GLU 97 OK 99 100 100 99 3.9-4.7 7375/3.9=60, 7385=44...(30) H LEU 96 + H GLU 97 OK 89 89 100 100 2.4-2.8 3.7=100 H VAL 126 - H GLU 97 far 0 100 0 - 7.0-7.9 H LEU 69 - H GLU 97 far 0 99 0 - 8.2-10.6 H TYR 72 - H GLU 97 far 0 57 0 - 9.5-11.2 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 3.9-4.9 3117/7358=71...(12) HA SER 99 + H LEU 98 OK 90 92 100 98 5.2-5.6 2.9/7375=88...(7) HA HIS 67 - H LEU 98 far 0 92 0 - 7.7-10.1 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 5 assignments used, quality = 1.00: * HA LYS 95 + H LEU 98 OK 100 100 100 100 3.3-3.6 2961=89, 11470/3192=81...(12) HA LEU 96 + H LEU 98 OK 70 78 100 89 4.0-4.7 4.9/2961=45, 2.9/7331=37...(14) HB3 SER 99 - H LEU 98 far 14 93 15 - 4.4-6.5 HA ALA 92 - H LEU 98 far 0 63 0 - 7.8-8.4 HA LEU 103 - H LEU 98 far 0 100 0 - 10.0-11.6 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 3.9-4.6 7330/3.9=81, 3.6/2961=60...(19) H SER 99 + H LEU 98 OK 89 89 100 100 2.5-3.1 3.8=100 H VAL 126 - H LEU 98 far 0 90 0 - 8.4-9.5 H LEU 123 - H LEU 98 far 0 92 0 - 9.1-10.9 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 7 assignments used, quality = 0.99: * HA LEU 96 + H LEU 98 OK 94 100 100 94 4.0-4.7 4.9/2961=49, 2.9/7331=42...(15) HA LYS 95 + H LEU 98 OK 78 78 100 100 3.3-3.6 2961=68, 11470/3192=63...(12) HA LEU 122 - H LEU 98 far 15 99 15 - 5.9-7.5 HA ALA 92 - H LEU 98 far 0 99 0 - 7.8-8.4 HA GLU 102 - H LEU 98 far 0 98 0 - 8.0-9.7 HB2 SER 74 - H LEU 98 far 0 68 0 - 8.9-13.0 HA LEU 103 - H LEU 98 far 0 71 0 - 10.0-11.6 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 4 assignments used, quality = 1.00: * H GLU 97 + H LEU 98 OK 100 100 100 100 2.5-2.8 3.9=100 H LEU 100 + H LEU 98 OK 94 95 100 100 3.8-4.7 3.4/7375=71...(22) H SER 9 - H LEU 98 far 0 96 0 - 8.5-57.7 H HIS 5 - H LEU 98 far 0 60 0 - 9.1-67.5 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 62 100 65 95 4.7-6.1 3.7/7375=70, 4.5/7390=28...(13) Violated in 0 structures by 0.00 A. Peak 7358 from nnoeabs.peaks (2.14, 7.74, 119.22 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + H LEU 98 OK 100 100 100 100 2.4-4.2 3124=79, 1.8/7359=79...(16) HB3 LEU 69 - H LEU 98 far 0 65 0 - 8.8-12.8 Violated in 6 structures by 0.02 A. Peak 7359 from nnoeabs.peaks (2.21, 7.74, 119.22 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 97 + H LEU 98 OK 99 100 100 99 2.4-4.1 1.8/7358=72, 4.7=60...(14) HB3 LEU 96 - H LEU 98 far 0 83 0 - 5.1-6.3 HB2 GLN 101 - H LEU 98 far 0 97 0 - 6.3-7.1 HB3 GLU 102 - H LEU 98 far 0 95 0 - 7.5-10.1 HB3 GLN 104 - H LEU 98 far 0 99 0 - 9.5-12.8 Violated in 5 structures by 0.02 A. Peak 7360 from nnoeabs.peaks (2.27, 7.74, 119.22 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + H LEU 98 OK 100 100 100 100 1.9-4.6 3139=88, 2.9/7359=78...(20) HB3 GLN 101 + H LEU 98 OK 32 60 55 96 4.7-7.3 3157/2.9=47, ~3315=22...(15) Violated in 0 structures by 0.00 A. Peak 7361 from nnoeabs.peaks (2.42, 7.74, 119.22 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + H LEU 98 OK 100 100 100 100 1.9-5.1 2.9/7359=80, 2.9/7358=78...(18) HG2 GLN 101 + H LEU 98 OK 45 100 45 100 3.7-6.3 10056/3184=53...(21) 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 - 7.0-7.8 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 2.2-3.6 3.9=87, 1.8/7364=77...(23) HD3 LYS 95 - H LEU 98 far 0 99 0 - 5.5-8.0 HD2 LYS 95 - H LEU 98 far 0 100 0 - 5.5-8.1 HB2 LEU 69 - H LEU 98 far 0 89 0 - 8.4-12.5 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 2.2-3.6 3168=83, 1.8/7363=69...(24) HG LEU 100 - H LEU 98 far 0 99 0 - 5.7-7.8 HB3 LEU 122 - H LEU 98 far 0 98 0 - 5.8-9.4 HB3 LEU 103 - H LEU 98 far 0 99 0 - 8.2-11.9 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 3 assignments used, quality = 1.00: * HG LEU 98 + H LEU 98 OK 100 100 100 100 1.8-3.1 3176=100, 2.1/3192=70...(22) HB3 LEU 70 - H LEU 98 far 0 100 0 - 5.8-8.6 HB2 LEU 70 - H LEU 98 far 0 100 0 - 7.0-9.3 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 4 assignments used, quality = 1.00: * QD1 LEU 98 + H LEU 98 OK 100 100 100 100 2.1-4.1 2.1/3176=80, 2.1/3192=79...(26) QD2 LEU 98 + H LEU 98 OK 93 93 100 100 2.6-3.7 3192=90, 2.1/3176=80...(17) QD2 LEU 70 + H LEU 98 OK 93 99 95 99 4.5-5.3 11090/3.6=63...(17) QD2 LEU 69 - H LEU 98 far 0 99 0 - 8.1-10.7 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 5 assignments used, quality = 1.00: * QD2 LEU 98 + H LEU 98 OK 100 100 100 100 2.6-3.7 3192=100, 2.1/3176=85...(17) QD1 LEU 98 + H LEU 98 OK 93 93 100 100 2.1-4.1 2.1/3176=85, 2.1/3192=85...(25) QD2 LEU 70 + H LEU 98 OK 76 83 95 96 4.5-5.3 11090/3.6=51...(17) QG1 VAL 118 - H LEU 98 far 0 76 0 - 6.6-7.2 QD2 LEU 69 - H LEU 98 far 0 99 0 - 8.1-10.7 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 2.5-3.1 3.8=100 H LEU 96 + H LEU 98 OK 86 89 100 97 3.9-4.6 7330/3.9=53, 3.6/2961=44...(19) H VAL 126 - H LEU 98 far 0 100 0 - 8.4-9.5 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 3.8-4.7 3.4/7375=66...(22) H GLU 97 + H LEU 98 OK 95 95 100 100 2.5-2.8 3.9=100 H LEU 70 - H LEU 98 far 0 78 0 - 8.1-10.4 H SER 9 - H LEU 98 far 0 100 0 - 8.5-57.7 Violated in 0 structures by 0.00 A. Peak 7370 from nnoeabs.peaks (8.29, 8.29, 116.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 99 + H SER 99 OK 100 100 - 100 H GLU 40 + H GLU 40 OK 82 82 - 100 Peak 7371 from nnoeabs.peaks (4.02, 8.29, 116.35 ppm; 4.40 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 95 + H SER 99 OK 94 100 95 99 4.1-5.3 3158/4.6=50, 2963/4.6=49...(17) HB3 SER 99 + H SER 99 OK 93 93 100 100 2.1-3.6 3.7=100 HB2 SER 38 + H GLU 40 OK 78 88 100 89 2.4-4.5 1.8/10921=50...(6) HA LEU 96 + H SER 99 OK 74 78 100 94 3.5-4.2 3.6/7385=30, 3208/3.7=22...(22) HA ILE 37 - H GLU 40 far 0 89 0 - 6.9-7.8 HA GLU 44 - H GLU 40 far 0 47 0 - 7.8-8.5 HD3 PRO 81 - H GLU 40 far 0 72 0 - 7.8-12.1 HA LEU 103 - H SER 99 far 0 100 0 - 7.9-9.3 HA LEU 119 - H SER 99 far 0 99 0 - 8.3-10.0 HA ALA 92 - H SER 99 far 0 63 0 - 8.5-9.6 HB2 SER 124 - H SER 99 far 0 73 0 - 8.9-11.3 HB3 SER 124 - H SER 99 far 0 97 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 7372 from nnoeabs.peaks (4.04, 8.29, 116.35 ppm; 4.29 A): 4 out of 12 assignments used, quality = 1.00: * HA LEU 96 + H SER 99 OK 96 100 100 96 3.5-4.2 3.6/7385=29, 7388/3.4=27...(25) HA LYS 95 + H SER 99 OK 69 78 95 93 4.1-5.3 3158/4.6=37, 2963/4.6=32...(17) HA LEU 122 + H SER 99 OK 57 99 65 88 4.2-6.1 3214/3.7=32, 3208/3.7=32...(17) HB2 SER 38 + H GLU 40 OK 43 52 100 82 2.4-4.5 1.8/10921=47...(6) HA GLU 102 - H SER 99 far 0 98 0 - 6.8-8.1 HA ILE 37 - H GLU 40 far 0 66 0 - 6.9-7.8 HA GLU 44 - H GLU 40 far 0 86 0 - 7.8-8.5 HD3 PRO 81 - H GLU 40 far 0 88 0 - 7.8-12.1 HA LEU 103 - H SER 99 far 0 71 0 - 7.9-9.3 HA LEU 119 - H SER 99 far 0 90 0 - 8.3-10.0 HA ALA 92 - H SER 99 far 0 99 0 - 8.5-9.6 HB3 SER 124 - H SER 99 far 0 96 0 - 9.9-11.9 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 5 assignments used, quality = 1.00: * H GLU 97 + H SER 99 OK 100 100 100 100 3.9-4.7 3.9/7375=67, 7350=53...(30) H LEU 100 + H SER 99 OK 95 95 100 100 2.3-3.0 3.4=100 H HIS 5 - H SER 99 far 0 60 0 - 8.7-66.8 H HIS 4 - H SER 99 far 0 78 0 - 9.8-70.0 H SER 9 - H SER 99 far 0 96 0 - 9.9-59.2 Violated in 0 structures by 0.00 A. Peak 7374 from nnoeabs.peaks (3.76, 8.29, 116.35 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: HB2 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.5 3.7=100 * HA GLU 97 + H SER 99 OK 97 100 100 97 3.9-4.9 3.6/7375=68, 2.8/7385=36...(15) HA LEU 43 - H GLU 40 far 0 70 0 - 7.1-7.8 HA VAL 133 - H GLU 40 far 0 88 0 - 8.6-10.2 HA SER 130 - H GLU 40 far 0 68 0 - 8.6-9.5 HB3 SER 130 - H GLU 40 far 0 81 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 7375 from nnoeabs.peaks (7.74, 8.29, 116.35 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 98 + H SER 99 OK 100 100 100 100 2.5-3.1 3.8=98, 7364/4.6=38...(21) H VAL 118 - H SER 99 far 0 85 0 - 8.1-9.6 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 - 6.5-7.2 HA ILE 80 - H GLU 40 far 0 70 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 7377 from nnoeabs.peaks (1.65, 8.29, 116.35 ppm; 4.17 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 98 + H SER 99 OK 100 100 100 100 2.1-4.1 3166=74, 7363/7375=57...(17) HG LEU 43 + H GLU 40 OK 54 85 65 98 4.4-5.7 2.1/10927=41, ~9055=39...(21) HD2 LYS 39 + H GLU 40 OK 52 54 100 96 2.7-4.8 3.6/1159=48, 5.5/6445=31...(16) HD2 LYS 95 - H SER 99 far 0 100 0 - 6.6-9.0 HD3 LYS 95 - H SER 99 far 0 99 0 - 6.7-8.5 HD3 LYS 36 - H GLU 40 far 0 72 0 - 8.8-11.5 HD2 LYS 36 - H GLU 40 far 0 72 0 - 9.1-12.2 HB2 LEU 123 - H SER 99 far 0 100 0 - 9.3-11.6 HB2 LEU 69 - H SER 99 far 0 89 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (1.78, 8.29, 116.35 ppm; 3.96 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + H SER 99 OK 100 100 100 100 2.1-3.7 4.6=63, 1.8/3166=54...(20) HB2 LYS 39 + H GLU 40 OK 56 59 100 95 2.1-3.7 4.7=62, 3.9/6445=41...(11) HB3 LEU 122 + H SER 99 OK 48 98 55 89 3.9-7.7 3.1/11382=23...(22) HG LEU 100 - H SER 99 far 5 99 5 - 4.8-7.0 HB3 LEU 103 - H SER 99 far 0 99 0 - 6.2-9.5 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 1.9-4.7 3176/7375=83...(17) HD3 LYS 39 + H GLU 40 OK 88 88 100 100 3.1-5.7 3.6/1159=72, 1.8/1203=70...(17) HB2 LEU 43 + H GLU 40 OK 61 72 85 100 4.6-6.4 ~1246=56, 3.2/10927=56...(18) HB3 LEU 70 - H SER 99 far 0 100 0 - 8.1-9.4 HB2 LEU 70 - H SER 99 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 7380 from nnoeabs.peaks (0.86, 8.29, 116.35 ppm; 4.53 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 98 + H SER 99 OK 100 100 100 100 3.0-4.7 3191=77, 3185/3.6=76...(18) QD2 LEU 98 + H SER 99 OK 93 93 100 100 3.7-4.7 3192/7375=58...(19) QD2 LEU 70 + H SER 99 OK 28 99 35 81 5.2-6.1 11090/7374=29...(13) QG1 VAL 133 - H GLU 40 far 5 54 10 - 5.1-7.7 QD2 LEU 69 - H SER 99 far 0 99 0 - 8.0-10.6 QD2 LEU 69 - H GLU 40 far 0 86 0 - 9.5-12.0 QD2 LEU 123 - H SER 99 far 0 78 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 7381 from nnoeabs.peaks (0.88, 8.29, 116.35 ppm; 4.99 A): 4 out of 7 assignments used, quality = 1.00: * QD2 LEU 98 + H SER 99 OK 100 100 100 100 3.7-4.7 3192/7375=76...(20) QD1 LEU 98 + H SER 99 OK 93 93 100 100 3.0-4.7 3185/3.6=77, 3191=69...(19) QG1 VAL 118 + H SER 99 OK 75 76 100 99 4.4-5.1 2.1/11534=69...(13) QD2 LEU 70 + H SER 99 OK 45 83 70 77 5.2-6.1 11090/7374=26...(13) QD2 LEU 69 - H SER 99 far 0 99 0 - 8.0-10.6 QD2 LEU 69 - H GLU 40 far 0 86 0 - 9.5-12.0 QD2 LEU 123 - H SER 99 far 0 99 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 7382 from nnoeabs.peaks (4.22, 8.29, 116.35 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 100 100 2.8-2.9 2.9=100 HB3 SER 38 + H GLU 40 OK 23 88 30 87 4.1-5.0 1134/6445=34, 10921=33...(8) HA SER 94 - H SER 99 far 0 92 0 - 6.3-7.6 HA HIS 67 - H SER 99 far 0 100 0 - 8.7-10.2 HA ALA 34 - H GLU 40 far 0 86 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 7383 from nnoeabs.peaks (3.76, 8.29, 116.35 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.5 3.7=100 HA GLU 97 + H SER 99 OK 97 100 100 97 3.9-4.9 3.6/7375=68, 2.8/7385=36...(15) HA LEU 43 - H GLU 40 far 0 63 0 - 7.1-7.8 HA VAL 133 - H GLU 40 far 0 85 0 - 8.6-10.2 HA SER 130 - H GLU 40 far 0 61 0 - 8.6-9.5 HB3 SER 130 - H GLU 40 far 0 77 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 7384 from nnoeabs.peaks (4.00, 8.29, 116.35 ppm; 4.08 A): 3 out of 9 assignments used, quality = 1.00: * HB3 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.6 3.7=100 HB2 SER 38 + H GLU 40 OK 69 85 100 82 2.4-4.5 1.8/10921=42...(6) HA LYS 95 + H SER 99 OK 63 93 70 96 4.1-5.3 3158/4.6=40, 2963/4.6=37...(17) HA ILE 37 - H GLU 40 far 0 77 0 - 6.9-7.8 HA LEU 103 - H SER 99 far 0 97 0 - 7.9-9.3 HA LEU 119 - H SER 99 far 0 83 0 - 8.3-10.0 HB3 SER 106 - H SER 99 far 0 65 0 - 8.5-13.1 HB2 SER 124 - H SER 99 far 0 97 0 - 8.9-11.3 HB3 SER 124 - H SER 99 far 0 73 0 - 9.9-11.9 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 5 assignments used, quality = 1.00: * H LEU 100 + H SER 99 OK 100 100 100 100 2.3-3.0 3.4=100 H GLU 97 + H SER 99 OK 92 95 100 97 3.9-4.7 3.9/7375=50, 7350=36...(26) H LEU 70 - H SER 99 far 0 78 0 - 9.7-11.2 H SER 9 - H SER 99 far 0 100 0 - 9.9-59.2 H ASP 47 - H GLU 40 far 0 45 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 7386 from nnoeabs.peaks (7.68, 8.29, 116.35 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 101 + H SER 99 OK 100 100 100 100 3.8-4.5 7407=100, 7408/2.9=82...(21) H LYS 95 + H SER 99 OK 31 65 60 79 5.9-7.1 2.9/2960=36...(14) H CYS 45 - H GLU 40 far 0 85 0 - 7.7-8.2 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): 2 out of 8 assignments used, quality = 1.00: * HA LEU 96 + H LEU 100 OK 99 100 100 99 3.7-5.1 11488/7401=56, 3061=37...(22) HA LEU 122 + H LEU 100 OK 77 99 80 98 4.3-6.1 3.9/10026=43...(28) HA LYS 95 - H LEU 100 far 0 78 0 - 6.2-7.6 HA GLU 102 - H LEU 100 far 0 98 0 - 6.5-7.2 HA LEU 103 - H LEU 100 far 0 71 0 - 6.7-8.0 HA LEU 119 - H LEU 100 far 0 90 0 - 6.8-9.0 HA ALA 92 - H LEU 100 far 0 99 0 - 9.8-11.0 HB THR 65 - H LEU 100 far 0 73 0 - 9.9-10.7 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 3115/3.9=67...(22) HB2 SER 99 + H LEU 100 OK 100 100 100 100 2.2-4.3 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 3.8-4.7 7375/3.4=100...(22) H VAL 118 - H LEU 100 far 0 85 0 - 8.2-9.5 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 4.1-5.3 3155/3.1=67, 9195=48...(18) HA GLN 101 + H LEU 100 OK 99 100 100 99 5.1-5.5 10048/7398=55...(12) HA GLN 104 - H LEU 100 far 0 89 0 - 8.0-9.5 Violated in 1 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 2.3-3.0 3.4=100 H LEU 96 - H LEU 100 far 0 89 0 - 5.7-6.9 H VAL 126 - H LEU 100 far 0 100 0 - 7.4-9.0 H LEU 69 - H LEU 100 far 0 99 0 - 9.3-10.5 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 - 6.8-8.2 HA SER 94 - H LEU 100 far 0 92 0 - 7.7-8.8 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 2.2-4.3 4.5=100 HA GLU 97 + H LEU 100 OK 100 100 100 100 3.1-3.8 3115/3.9=67...(22) 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 6 assignments used, quality = 0.98: * HB3 SER 99 + H LEU 100 OK 98 100 100 98 2.5-4.0 3219=88, ~7408=26...(13) HA LYS 95 - H LEU 100 far 0 93 0 - 6.2-7.6 HA LEU 103 - H LEU 100 far 0 97 0 - 6.7-8.0 HA LEU 119 - H LEU 100 far 0 83 0 - 6.8-9.0 HB3 SER 106 - H LEU 100 far 0 65 0 - 8.5-12.3 HB2 SER 124 - H LEU 100 far 0 97 0 - 9.8-12.0 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 2.7-2.9 2.9=100 HB3 SER 107 - H LEU 100 far 0 100 0 - 8.3-14.4 HB2 SER 106 - H LEU 100 far 0 100 0 - 8.5-12.3 HB3 SER 106 - H LEU 100 far 0 89 0 - 8.5-12.3 HB3 SER 94 - H LEU 100 far 0 97 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 7397 from nnoeabs.peaks (1.82, 8.49, 120.88 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + H LEU 100 OK 100 100 100 100 2.1-3.5 3.9=78, 1.8/7398=69...(33) HB3 LEU 122 + H LEU 100 OK 29 63 55 84 2.6-7.1 3.1/10026=31...(27) HB3 LEU 103 - H LEU 100 far 3 60 5 - 4.4-7.9 HB3 LEU 123 - H LEU 100 far 0 81 0 - 9.0-11.6 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 7 assignments used, quality = 1.00: * HB3 LEU 100 + H LEU 100 OK 100 100 100 100 2.1-3.5 3.9=88, 1.8/7397=60...(37) HG LEU 96 - H LEU 100 far 0 87 0 - 4.9-5.7 HB2 LEU 96 - H LEU 100 far 0 100 0 - 5.1-6.6 QB ALA 108 - H LEU 100 far 0 100 0 - 6.9-13.6 HG3 LYS 95 - H LEU 100 far 0 99 0 - 7.9-10.2 HG2 LYS 95 - H LEU 100 far 0 99 0 - 9.0-10.7 QB ALA 109 - H LEU 100 far 0 98 0 - 9.5-13.8 Violated in 0 structures by 0.00 A. Peak 7399 from nnoeabs.peaks (1.78, 8.49, 120.88 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.83: * HG LEU 100 + H LEU 100 OK 70 100 70 100 2.7-4.6 2.1/3257=64, 3249=56...(34) HB3 LEU 122 + H LEU 100 OK 43 89 55 88 2.6-7.1 3.1/10026=30...(28) HB3 LEU 103 - H LEU 100 far 5 90 5 - 4.4-7.9 HB3 LEU 98 - H LEU 100 far 0 99 0 - 4.5-6.0 Violated in 5 structures by 0.15 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 3.7-4.1 3257=100, 3258/2.9=81...(27) QD2 LEU 62 - H LEU 100 far 0 100 0 - 7.6-9.7 Violated in 0 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 3.3-4.3 2.1/3257=83, 2.1/3249=69...(31) Violated in 6 structures by 0.03 A. Peak 7402 from nnoeabs.peaks (7.68, 8.49, 120.88 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + H LEU 100 OK 100 100 100 100 2.4-2.9 3.1=100 H LYS 95 - H LEU 100 far 0 65 0 - 7.5-8.7 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 3.6-4.4 7444=100, 7445/2.9=88...(18) H GLN 68 - H LEU 100 far 0 95 0 - 9.3-10.5 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 2.8-4.6 3115/7411=80...(15) HB2 SER 99 + H GLN 101 OK 100 100 100 100 4.8-6.3 3.0/7408=76, 3.7/7407=71...(17) 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 2.7-2.9 2.9=100 * HA LEU 98 + H GLN 101 OK 99 100 100 99 3.5-4.5 3155=55, 3157/7418=49...(20) HA GLN 104 - H GLN 101 far 0 89 0 - 7.2-8.3 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 4 assignments used, quality = 1.00: * H SER 99 + H GLN 101 OK 100 100 100 100 3.8-4.5 3.6/3155=66, 2.9/7408=65...(21) H LEU 96 - H GLN 101 far 0 89 0 - 7.5-8.4 H LEU 69 - H GLN 101 far 0 99 0 - 9.4-11.1 H VAL 126 - H GLN 101 far 0 100 0 - 9.7-11.5 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 3.9-5.0 7443/3.1=82, 2.9/7407=71...(11) HA HIS 67 - H GLN 101 far 0 100 0 - 6.2-7.9 HA SER 94 - H GLN 101 far 0 92 0 - 7.9-9.2 HA VAL 105 - H GLN 101 far 0 65 0 - 8.2-9.6 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 4 assignments used, quality = 1.00: * H LEU 100 + H GLN 101 OK 100 100 100 100 2.4-2.9 3.1=100 H GLU 97 - H GLN 101 far 0 95 0 - 5.3-6.4 H LEU 70 - H GLN 101 far 0 78 0 - 7.9-9.8 H SER 9 - H GLN 101 far 0 100 0 - 8.1-57.0 Violated in 0 structures by 0.00 A. Peak 7410 from nnoeabs.peaks (3.96, 7.68, 119.11 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 100 + H GLN 101 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 106 - H GLN 101 far 0 89 0 - 6.9-11.4 HB2 SER 106 - H GLN 101 far 0 100 0 - 8.2-10.8 HB3 SER 107 - H GLN 101 far 0 100 0 - 8.5-13.1 HB3 SER 94 - H GLN 101 far 0 97 0 - 9.7-11.2 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 2.7-4.1 1.8/7412=71, 4.6=66...(28) HB3 LEU 103 - H GLN 101 far 6 60 10 - 4.7-7.7 HB3 LEU 122 - H GLN 101 far 0 63 0 - 5.4-9.4 Violated in 1 structures by 0.00 A. Peak 7412 from nnoeabs.peaks (1.38, 7.68, 119.11 ppm; 4.22 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 100 + H GLN 101 OK 100 100 100 100 2.3-3.6 1.8/7411=81, 4.6=76...(31) HG LEU 96 - H GLN 101 far 0 87 0 - 5.8-7.3 QB ALA 108 - H GLN 101 far 0 100 0 - 6.4-12.3 HB2 LEU 96 - H GLN 101 far 0 100 0 - 7.2-8.6 QB ALA 109 - H GLN 101 far 0 98 0 - 9.2-13.8 HG3 LYS 95 - H GLN 101 far 0 99 0 - 9.3-11.6 QB ALA 110 - H GLN 101 far 0 100 0 - 9.8-16.8 Violated in 0 structures by 0.00 A. Peak 7413 from nnoeabs.peaks (1.78, 7.68, 119.11 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.80: * HG LEU 100 + H GLN 101 OK 80 100 80 100 4.7-5.2 3.0/7411=64, 2.1/3264=64...(26) HB3 LEU 103 - H GLN 101 far 14 90 15 - 4.7-7.7 HB3 LEU 98 - H GLN 101 far 0 99 0 - 5.1-6.2 HB3 LEU 122 - H GLN 101 far 0 89 0 - 5.4-9.4 Violated in 20 structures by 0.70 A. Peak 7414 from nnoeabs.peaks (0.68, 7.68, 119.11 ppm; 6.22 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + H GLN 101 OK 100 100 100 100 3.6-4.7 3264=100, 2.1/7413=100...(27) QD2 LEU 62 - H GLN 101 far 0 100 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 7415 from nnoeabs.peaks (0.60, 7.68, 119.11 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + H GLN 101 OK 100 100 100 100 3.1-4.9 2.1/7413=86, 2.1/3264=79...(30) Violated in 1 structures by 0.01 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 2.7-2.9 2.9=100 HA LEU 98 + H GLN 101 OK 99 100 100 99 3.5-4.5 3155=55, 3157/7418=49...(20) HA GLN 104 - H GLN 101 far 0 93 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 7417 from nnoeabs.peaks (2.21, 7.68, 119.11 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + H GLN 101 OK 100 100 100 100 2.8-3.7 3286=70, 1.8/7418=70...(29) HB3 GLU 97 - H GLN 101 far 5 97 5 - 3.9-5.9 HB3 GLU 102 - H GLN 101 far 4 76 5 - 4.2-6.5 HB3 GLN 104 - H GLN 101 far 0 90 0 - 4.8-8.1 HB2 GLN 104 - H GLN 101 far 0 89 0 - 6.4-7.8 HB3 LEU 96 - H GLN 101 far 0 57 0 - 7.7-9.1 Violated in 18 structures by 0.26 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 2.3-3.5 3296=71, 1.8/7417=71...(29) HG2 GLU 97 - H GLN 101 far 0 60 0 - 4.4-7.2 Violated in 2 structures by 0.02 A. Peak 7419 from nnoeabs.peaks (2.42, 7.68, 119.11 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + H GLN 101 OK 100 100 100 100 2.0-3.8 3305=100, 1.8/3314=80...(27) HG3 GLU 97 - H GLN 101 far 0 100 0 - 5.3-7.2 Violated in 5 structures by 0.02 A. Peak 7420 from nnoeabs.peaks (2.56, 7.68, 119.11 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + H GLN 101 OK 100 100 100 100 2.0-2.7 3314=100, 1.8/3305=70...(25) 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 2.3-2.9 3.1=100 H GLN 68 - H GLN 101 far 0 95 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 7424 from nnoeabs.peaks (8.08, 7.68, 119.11 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 103 + H GLN 101 OK 99 100 100 99 3.7-4.5 3228/3.6=53, 7464=50...(12) H ALA 108 - H GLN 101 far 0 100 0 - 7.6-13.1 H ALA 109 - H GLN 101 far 0 100 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 7425 from nnoeabs.peaks (6.79, 6.79, 111.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HE21 GLN 101 OK 100 100 - 100 Peak 7426 from nnoeabs.peaks (7.68, 6.79, 111.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HE21 GLN 101 OK 100 100 100 100 5.3-6.3 6.8=100 H LYS 95 - HE21 GLN 101 far 0 65 0 - 8.3-10.8 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 = 1.00: HA LEU 98 + HE21 GLN 101 OK 100 100 100 100 2.8-4.4 7435/1.7=86...(8) ! HA GLN 101 - HE21 GLN 101 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 7428 from nnoeabs.peaks (2.21, 6.79, 111.00 ppm; 4.41 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HE21 GLN 101 OK 100 100 100 100 4.0-4.7 4.5=93, 1.8/7429=76...(9) HB3 GLU 97 - HE21 GLN 101 poor 17 97 45 38 3.5-7.1 3156/7427=18, 7436/1.7=9...(5) HB3 GLU 102 - HE21 GLN 101 far 0 76 0 - 6.9-10.2 HB3 GLN 104 - HE21 GLN 101 far 0 90 0 - 8.8-12.1 HB2 GLN 104 - HE21 GLN 101 far 0 89 0 - 9.8-11.7 HB3 LEU 96 - HE21 GLN 101 far 0 57 0 - 9.8-12.2 Violated in 18 structures by 0.15 A. Peak 7429 from nnoeabs.peaks (2.30, 6.79, 111.00 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.8-4.7 4.5=98, 7437/1.7=81...(10) HG2 GLU 97 - HE21 GLN 101 poor 15 60 25 - 4.6-8.8 Violated in 19 structures by 0.14 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 3.4-4.0 3.5=100 HG3 GLU 97 - HE21 GLN 101 far 5 100 5 - 4.5-8.7 Violated in 15 structures by 0.11 A. Peak 7431 from nnoeabs.peaks (2.56, 6.79, 111.00 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.5-4.0 3.5=100 Violated in 6 structures by 0.05 A. Peak 7432 from nnoeabs.peaks (7.38, 6.79, 111.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HE21 GLN 101 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7433 from nnoeabs.peaks (7.38, 7.38, 111.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HE22 GLN 101 OK 100 100 - 100 Peak 7434 from nnoeabs.peaks (7.68, 7.38, 111.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HE22 GLN 101 OK 100 100 100 100 4.0-5.6 6.8=100 H LYS 95 - HE22 GLN 101 poor 13 65 20 - 7.5-11.5 Violated in 0 structures by 0.00 A. Peak 7435 from nnoeabs.peaks (4.10, 7.38, 111.00 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 98 + HE22 GLN 101 OK 99 100 100 99 1.9-4.3 7427/1.7=70...(9) ! HA GLN 101 - HE22 GLN 101 far 10 100 10 - 5.2-6.0 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 6 assignments used, quality = 1.00: * HB2 GLN 101 + HE22 GLN 101 OK 100 100 100 100 3.3-4.5 4.5=87, 2.9/7439=81...(9) HB3 GLU 97 - HE22 GLN 101 poor 13 97 35 38 2.2-7.2 3156/7435=19...(5) HB3 GLU 102 - HE22 GLN 101 far 4 76 5 - 5.2-9.4 HB3 GLN 104 - HE22 GLN 101 far 0 90 0 - 8.2-11.5 HB3 LEU 96 - HE22 GLN 101 far 0 57 0 - 8.3-12.3 HB2 GLN 104 - HE22 GLN 101 far 0 89 0 - 9.3-11.0 Violated in 10 structures by 0.04 A. Peak 7437 from nnoeabs.peaks (2.30, 7.38, 111.00 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HE22 GLN 101 OK 100 100 100 100 3.1-4.5 4.5=92, 2.9/7439=83...(10) HG2 GLU 97 - HE22 GLN 101 poor 18 60 30 - 3.9-9.4 Violated in 2 structures by 0.01 A. Peak 7438 from nnoeabs.peaks (2.42, 7.38, 111.00 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HE22 GLN 101 OK 100 100 100 100 2.1-3.4 3.5=91, 1.8/7439=75...(10) HG3 GLU 97 - HE22 GLN 101 far 5 100 5 - 3.9-9.2 Violated in 1 structures by 0.00 A. Peak 7439 from nnoeabs.peaks (2.56, 7.38, 111.00 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.99: * HG3 GLN 101 + HE22 GLN 101 OK 99 100 100 99 2.2-3.3 3.5=81, 1.8/7438=67...(10) Violated in 1 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 3.4-3.6 3.5=100 * HA LEU 98 + H GLU 102 OK 91 100 95 95 3.7-5.3 3157/7449=61...(7) HA GLN 104 - H GLU 102 far 0 89 0 - 6.3-7.4 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 4 assignments used, quality = 1.00: * HA SER 99 + H GLU 102 OK 100 100 100 100 3.2-3.8 3205=66, 3332/7455=59...(15) HA VAL 105 - H GLU 102 far 0 65 0 - 7.1-7.9 HA HIS 67 - H GLU 102 far 0 100 0 - 8.5-10.1 HA SER 94 - H GLU 102 far 0 92 0 - 9.6-11.3 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 3 assignments used, quality = 1.00: * H LEU 100 + H GLU 102 OK 100 100 100 100 3.6-4.4 2.9/7445=80, 7403=78...(18) H GLU 97 - H GLU 102 far 0 95 0 - 7.5-8.8 H SER 9 - H GLU 102 far 0 100 0 - 8.9-59.3 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 3.8-4.9 2.9/7444=52, 7463/3.0=48...(16) HB3 SER 106 - H GLU 102 far 4 89 5 - 4.6-9.1 HB2 SER 106 - H GLU 102 far 0 100 0 - 5.5-8.6 HB3 SER 107 - H GLU 102 far 0 100 0 - 6.9-11.7 HD3 PRO 117 - H GLU 102 far 0 98 0 - 9.0-11.3 Violated in 1 structures by 0.02 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 2.3-2.9 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 3.4-3.6 3.5=100 HA LEU 98 + H GLU 102 OK 91 100 95 96 3.7-5.3 3157/7449=62...(7) HA GLN 104 - H GLU 102 far 0 93 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 7448 from nnoeabs.peaks (2.21, 7.85, 118.36 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + H GLU 102 OK 100 100 100 100 3.8-4.4 1.8/7449=70, 7417/3.1=56...(18) HB3 GLU 102 + H GLU 102 OK 76 76 100 100 2.2-3.6 3.8=75, 1.8/7455=75...(22) HB3 GLN 104 - H GLU 102 far 0 90 0 - 4.6-7.6 HB2 GLN 104 - H GLU 102 far 0 89 0 - 6.3-7.5 HB3 GLU 97 - H GLU 102 far 0 97 0 - 6.3-8.6 HB3 LEU 96 - H GLU 102 far 0 57 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7449 from nnoeabs.peaks (2.30, 7.85, 118.36 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + H GLU 102 OK 100 100 100 100 2.6-4.0 3304=69, 7418/3.1=57...(18) HG2 GLU 97 - H GLU 102 far 0 60 0 - 6.5-9.7 Violated in 13 structures by 0.18 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 2.1-4.6 1.8/7451=83, 3313=82...(21) HG3 GLU 97 - H GLU 102 far 0 100 0 - 6.8-9.4 Violated in 6 structures by 0.05 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 1.9-4.5 3322=82, 2.9/7449=70...(20) Violated in 1 structures by 0.02 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 2.7-2.9 2.9=100 HA LEU 122 - H GLU 102 far 0 100 0 - 7.4-9.8 HA LEU 96 - H GLU 102 far 0 98 0 - 7.5-9.0 HA LEU 119 - H GLU 102 far 0 71 0 - 8.3-10.7 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 = 1.00: * HB2 GLU 102 + H GLU 102 OK 100 100 100 100 2.2-3.4 3.8=69, 3.0/7458=48...(22) HB VAL 118 - H GLU 102 far 0 71 0 - 5.7-8.0 HB2 LEU 62 - H GLU 102 far 0 71 0 - 8.2-11.0 HG2 PRO 117 - H GLU 102 far 0 63 0 - 8.5-10.6 Violated in 1 structures by 0.00 A. Peak 7456 from nnoeabs.peaks (2.23, 7.85, 118.36 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + H GLU 102 OK 100 100 100 100 2.2-3.6 3.8=78, 1.8/7455=76...(22) HB2 GLN 101 + H GLU 102 OK 76 76 100 100 3.8-4.4 1.8/7449=72, 2.9/7451=46...(18) HB3 GLN 104 - H GLU 102 far 0 99 0 - 4.6-7.6 HB3 GLU 97 - H GLU 102 far 0 95 0 - 6.3-8.6 HB3 LEU 96 - H GLU 102 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7457 from nnoeabs.peaks (2.36, 7.85, 118.36 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 102 + H GLU 102 OK 100 100 100 100 2.0-3.9 3348=78, 1.8/7458=77...(17) HG2 GLN 104 + H GLU 102 OK 35 76 75 61 4.1-5.4 5.0/7483=22...(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 2.2-3.7 3355=85, 1.8/3348=62...(19) Violated in 1 structures by 0.00 A. Peak 7459 from nnoeabs.peaks (8.08, 7.85, 118.36 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + H GLU 102 OK 100 100 100 100 2.2-2.8 3.0=100 H ALA 108 - H GLU 102 far 0 100 0 - 5.9-11.2 H ALA 109 - H GLU 102 far 0 100 0 - 8.1-13.7 H ASN 120 - H GLU 102 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 7460 from nnoeabs.peaks (7.90, 7.85, 118.36 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 104 + H GLU 102 OK 100 100 100 100 3.5-4.9 7483=100, 7485/3.0=97...(11) H SER 106 + H GLU 102 OK 97 100 100 97 4.4-6.3 11781/2.9=67...(8) HD22 ASN 116 - H GLU 102 far 4 83 5 - 6.3-11.0 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 4.0-4.9 7443/3.0=95...(11) HA VAL 105 + H LEU 103 OK 39 65 60 99 6.5-7.1 3.0/7519=87, ~7520=51...(8) HA HIS 67 - H LEU 103 far 0 100 0 - 8.0-10.2 Violated in 0 structures by 0.00 A. Peak 7463 from nnoeabs.peaks (3.96, 8.08, 120.56 ppm; 4.30 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 100 + H LEU 103 OK 100 100 100 100 3.0-4.2 7445/3.0=59, 3228=51...(18) HB3 SER 106 + H LEU 103 OK 36 89 50 81 4.5-7.6 4.0/7478=25...(13) HB2 SER 106 - H LEU 103 poor 20 100 20 - 4.7-7.2 HB3 SER 107 - H LEU 103 far 5 100 5 - 4.7-9.7 HD3 PRO 117 - H LEU 103 far 0 98 0 - 7.8-9.9 HA3 GLY 111 - H LEU 103 far 0 90 0 - 8.8-16.0 HA2 GLY 111 - H LEU 103 far 0 57 0 - 10.0-16.2 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 3.7-4.5 7424=100, 3.6/3228=79...(12) 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 3.6-4.8 2.9/7424=66...(14) HA GLN 104 + H LEU 103 OK 92 93 100 99 5.0-5.5 3.0/7485=87, 3.6/7519=59...(10) HA LEU 98 - H LEU 103 far 0 100 0 - 6.1-7.5 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 2.2-2.8 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 3.4-3.6 3.6=100 HA LEU 119 - H LEU 103 far 0 71 0 - 6.6-9.2 HA LEU 122 - H LEU 103 far 0 100 0 - 7.5-9.5 HA LEU 96 - H LEU 103 far 0 98 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 7468 from nnoeabs.peaks (2.08, 8.08, 120.56 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 102 + H LEU 103 OK 100 100 100 100 2.9-4.2 1.8/7469=80, 4.6=72...(21) HB VAL 118 - H LEU 103 poor 14 71 20 - 3.7-6.4 HB2 LEU 62 - H LEU 103 far 0 71 0 - 6.4-9.1 HG2 PRO 117 - H LEU 103 far 0 63 0 - 8.2-9.5 Violated in 1 structures by 0.00 A. Peak 7469 from nnoeabs.peaks (2.23, 8.08, 120.56 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 102 + H LEU 103 OK 100 100 100 100 2.7-4.2 1.8/7468=71, 3347=68...(20) HB3 GLN 104 - H LEU 103 poor 20 99 20 - 4.4-6.3 HB2 GLN 101 - H LEU 103 far 0 76 0 - 5.1-6.4 HB3 GLU 97 - H LEU 103 far 0 95 0 - 7.9-10.2 Violated in 10 structures by 0.05 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 2.6-5.4 3354=92, 1.8/7471=89...(16) HG2 GLN 104 + H LEU 103 OK 75 76 100 99 3.3-5.2 5.0/7485=65...(11) 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 2.8-4.8 7458/3.0=83, 3.0/7469=79...(17) Violated in 5 structures by 0.01 A. Peak 7472 from nnoeabs.peaks (4.02, 8.08, 120.56 ppm; 3.86 A): 1 out of 6 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 - 4.8-6.5 HA LEU 119 - H LEU 103 far 0 98 0 - 6.6-9.2 HA LEU 96 - H LEU 103 far 0 71 0 - 7.9-9.6 HA SER 60 - H LEU 103 far 0 99 0 - 8.3-10.4 HA LYS 95 - H LEU 103 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 7473 from nnoeabs.peaks (1.58, 8.08, 120.56 ppm; 3.66 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + H LEU 103 OK 100 100 100 100 2.2-3.0 3.9=81, 1.8/7474=75...(32) HG LEU 103 + H LEU 103 OK 76 81 95 100 2.0-4.6 2.1/3396=63, 3.0/7474=57...(25) HG LEU 122 - H LEU 103 far 0 65 0 - 5.6-7.9 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 2.1-3.6 3.9=77, 3.2/3396=48...(31) HB2 LEU 100 - H LEU 103 far 0 60 0 - 4.7-6.3 HB3 LEU 122 - H LEU 103 far 0 100 0 - 5.4-9.2 HG LEU 100 - H LEU 103 far 0 90 0 - 5.6-7.2 HB3 LEU 98 - H LEU 103 far 0 99 0 - 7.2-9.0 Violated in 3 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 2.0-4.6 3388=87, 2.1/3396=76...(25) HB2 LEU 103 + H LEU 103 OK 81 81 100 100 2.2-3.0 3.9=100 HB2 LEU 119 - H LEU 103 far 0 97 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 7476 from nnoeabs.peaks (0.78, 8.08, 120.56 ppm; 4.02 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + H LEU 103 OK 100 100 100 100 1.7-4.3 3396=100, 3367/3.0=72...(31) QD2 LEU 122 + H LEU 103 OK 25 100 35 70 3.9-8.0 11398/7424=18...(10) QD1 LEU 122 - H LEU 103 poor 14 71 20 - 4.1-7.4 QG1 VAL 63 - H LEU 103 far 0 100 0 - 5.1-6.3 QD2 LEU 119 - H LEU 103 far 0 85 0 - 5.9-9.7 QD1 LEU 96 - H LEU 103 far 0 97 0 - 6.9-8.4 QD2 LEU 49 - H LEU 103 far 0 92 0 - 8.1-10.5 QD1 LEU 53 - H LEU 103 far 0 96 0 - 8.9-13.8 Violated in 2 structures by 0.01 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 3.3-4.4 2.1/3396=84, 11415=82...(27) QD2 LEU 96 - H LEU 103 far 0 99 0 - 9.3-10.2 Violated in 1 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 2.4-3.0 7485=100, 7488/7474=50...(15) H SER 106 + H LEU 103 OK 79 100 85 93 4.3-5.0 7535/7519=38...(16) HD22 ASN 116 - H LEU 103 far 0 83 0 - 4.8-9.1 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): 1 out of 6 assignments used, quality = 0.89: * HA LEU 100 + H GLN 104 OK 89 100 95 94 2.9-5.3 7463/7485=39...(12) HB3 SER 107 - H GLN 104 poor 17 100 30 58 4.6-7.8 11853/11811=35...(10) HB3 SER 106 - H GLN 104 far 13 89 15 - 5.0-7.6 HB2 SER 106 - H GLN 104 far 5 100 5 - 5.0-7.6 HA2 GLY 111 - H GLN 104 far 0 57 0 - 9.0-15.2 HD3 PRO 117 - H GLN 104 far 0 98 0 - 9.5-11.7 Violated in 8 structures by 0.16 A. Peak 7482 from nnoeabs.peaks (4.10, 7.90, 117.67 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + H GLN 104 OK 97 100 100 97 3.1-4.5 3282=60, 3.5/7483=30...(13) HA GLN 104 + H GLN 104 OK 93 93 100 100 2.7-2.9 3.0=100 HA LEU 98 - H GLN 104 far 0 100 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 7483 from nnoeabs.peaks (7.85, 7.90, 117.67 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + H GLN 104 OK 100 100 100 100 3.5-4.9 3.0/7485=97, 3.5/3282=78...(11) H GLN 68 - H GLN 104 far 0 95 0 - 8.8-11.4 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 15 100 15 - 4.0-5.3 HA LEU 119 - H GLN 104 far 0 71 0 - 7.5-10.2 HA LEU 122 - H GLN 104 far 0 100 0 - 9.3-10.8 HB THR 65 - H GLN 104 far 0 92 0 - 9.4-11.8 HA LEU 96 - H GLN 104 far 0 98 0 - 9.4-11.3 Violated in 20 structures by 1.23 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 2.4-3.0 4.6=46, 7474/7488=44...(15) H ALA 108 - H GLN 104 far 0 100 0 - 4.6-7.9 H ALA 109 - H GLN 104 far 0 100 0 - 6.1-11.0 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 3.4-3.6 3.6=100 HA SER 60 - H GLN 104 far 0 99 0 - 5.8-7.9 HB3 SER 99 - H GLN 104 far 0 97 0 - 6.4-8.8 HA LEU 119 - H GLN 104 far 0 98 0 - 7.5-10.2 HA LEU 96 - H GLN 104 far 0 71 0 - 9.4-11.3 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 3.2-4.0 1.8/7488=79, 4.6=63...(24) HG LEU 103 + H GLN 104 OK 80 81 100 99 1.9-4.4 2.1/7491=65, 3.0/7488=62...(23) HG LEU 122 - H GLN 104 far 0 65 0 - 6.4-9.4 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 1.9-4.3 4.6=55, 7474/7485=52...(18) HB2 LEU 100 - H GLN 104 poor 12 60 20 - 4.3-7.3 HG LEU 100 - H GLN 104 far 0 90 0 - 5.5-7.5 HB3 LEU 122 - H GLN 104 far 0 100 0 - 7.2-9.8 HB3 LEU 98 - H GLN 104 far 0 99 0 - 9.2-11.3 Violated in 4 structures by 0.04 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 1.9-4.4 2.1/7491=78, 3.0/7488=73...(22) HB2 LEU 103 + H GLN 104 OK 81 81 100 100 3.2-4.0 1.8/7488=90, 4.6=84...(24) HB2 LEU 119 - H GLN 104 far 0 97 0 - 9.2-12.6 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 2.8-4.7 9400/7495=51...(24) * QD1 LEU 103 + H GLN 104 OK 100 100 100 100 1.9-4.7 3367/3.6=59, 3.2/7488=59...(27) QD1 LEU 122 - H GLN 104 far 0 71 0 - 4.9-8.3 QD2 LEU 122 - H GLN 104 far 0 100 0 - 5.0-8.5 QD2 LEU 119 - H GLN 104 far 0 85 0 - 6.2-10.1 QD1 LEU 96 - H GLN 104 far 0 97 0 - 7.3-8.8 QD2 LEU 49 - H GLN 104 far 0 92 0 - 7.7-10.9 QD1 LEU 53 - H GLN 104 far 0 96 0 - 9.1-14.1 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 2 assignments used, quality = 1.00: * QD2 LEU 103 + H GLN 104 OK 100 100 100 100 2.5-4.1 3.1/7488=65, 3368/3.6=56...(25) QD2 LEU 96 - H GLN 104 far 0 99 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 7492 from nnoeabs.peaks (4.09, 7.90, 117.67 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + H GLN 104 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLN 101 + H GLN 104 OK 68 93 80 91 3.1-4.5 3282=38, 3.5/7483=23...(12) HA LEU 98 - H GLN 104 far 0 89 0 - 7.8-9.3 HB THR 65 - H GLN 104 far 0 76 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 7493 from nnoeabs.peaks (2.19, 7.90, 117.67 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.99: * HB2 GLN 104 + H GLN 104 OK 99 100 100 99 3.0-3.6 3422=54, 1.8/3432=52...(20) HB2 GLN 101 - H GLN 104 far 0 89 0 - 4.8-6.6 HB3 GLU 97 - H GLN 104 far 0 65 0 - 8.5-10.6 Violated in 19 structures by 0.38 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 2.2-3.5 3432=72, 1.8/3422=57...(24) HB3 GLU 102 - H GLN 104 far 0 99 0 - 4.7-6.5 HB2 GLN 101 - H GLN 104 far 0 90 0 - 4.8-6.6 HB3 GLU 97 - H GLN 104 far 0 99 0 - 8.5-10.6 Violated in 1 structures by 0.01 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 1.6-3.0 1.8/7496=82, 3.0/7493=66...(23) HG2 GLU 102 - H GLN 104 far 0 76 0 - 5.1-8.0 Violated in 0 structures by 0.00 A. Peak 7496 from nnoeabs.peaks (2.47, 7.90, 117.67 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + H GLN 104 OK 100 100 100 100 1.9-3.6 3450=77, 1.8/7495=63...(19) HG2 MET 11 - H GLN 104 far 0 99 0 - 9.5-51.5 Violated in 5 structures by 0.02 A. Peak 7499 from nnoeabs.peaks (7.62, 7.90, 117.67 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.97: * H VAL 105 + H GLN 104 OK 97 100 100 97 2.3-3.1 7533=48, 3478/10070=42...(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 3.0-6.1 7496/3.5=95, 7495/3.5=92...(18) H SER 106 - HE21 GLN 104 far 10 100 10 - 5.8-9.0 HD22 ASN 116 - HE21 GLN 104 far 0 83 0 - 8.7-14.0 Violated in 5 structures by 0.07 A. Peak 7502 from nnoeabs.peaks (4.09, 6.96, 111.83 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.86: * HA GLN 104 + HE21 GLN 104 OK 75 100 75 100 4.4-5.6 7510/1.7=84, 3418=76...(17) HA GLN 101 + HE21 GLN 104 OK 43 93 55 84 4.2-7.1 3442/3.5=28, 3451/3.5=28...(8) HB THR 65 - HE21 GLN 104 far 0 76 0 - 7.2-13.4 HA LEU 98 - HE21 GLN 104 far 0 89 0 - 8.5-12.6 Violated in 17 structures by 0.22 A. Peak 7503 from nnoeabs.peaks (2.19, 6.96, 111.83 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.1-4.8 4.5=96, 7511/1.7=86...(19) HB2 GLN 101 - HE21 GLN 104 far 9 89 10 - 4.9-8.5 HB3 GLU 97 - HE21 GLN 104 far 0 65 0 - 6.9-13.2 HB2 GLN 68 - HE21 GLN 104 far 0 57 0 - 7.7-14.9 HB3 GLN 68 - HE21 GLN 104 far 0 97 0 - 7.7-15.3 HB3 LEU 69 - HE21 GLN 104 far 0 73 0 - 7.8-16.9 Violated in 9 structures by 0.09 A. Peak 7504 from nnoeabs.peaks (2.22, 6.96, 111.83 ppm; 4.71 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.1-4.7 4.5=100 HB2 GLN 101 - HE21 GLN 104 far 9 90 10 - 4.9-8.5 HG2 GLN 68 - HE21 GLN 104 far 0 98 0 - 6.7-15.4 HB3 GLU 97 - HE21 GLN 104 far 0 99 0 - 6.9-13.2 HB2 GLN 68 - HE21 GLN 104 far 0 100 0 - 7.7-14.9 HB3 GLU 102 - HE21 GLN 104 far 0 99 0 - 8.5-11.2 HB3 LEU 96 - HE21 GLN 104 far 0 93 0 - 10.0-16.7 Violated in 0 structures by 0.00 A. Peak 7505 from nnoeabs.peaks (2.38, 6.96, 111.83 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.7-4.1 3.5=100 HG2 GLU 102 - HE21 GLN 104 far 0 76 0 - 7.5-12.5 Violated in 19 structures by 0.17 A. Peak 7506 from nnoeabs.peaks (2.47, 6.96, 111.83 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.7-4.1 3.5=100 HG2 MET 11 - HE21 GLN 104 far 0 99 0 - 7.0-49.4 Violated in 20 structures by 0.41 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 - 6.8-11.5 H GLN 61 - HE21 GLN 104 far 0 99 0 - 8.4-11.8 Violated in 0 structures by 0.00 A. Peak 7508 from nnoeabs.peaks (7.43, 7.43, 111.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 104 + HE22 GLN 104 OK 100 100 - 100 Peak 7509 from nnoeabs.peaks (7.90, 7.43, 111.83 ppm; 5.11 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.7-4.6 7496/7514=90...(20) H SER 106 + HE22 GLN 104 OK 25 100 45 55 5.0-8.1 3412/7510=26...(4) HD22 ASN 116 - HE22 GLN 104 far 0 83 0 - 7.9-12.9 Violated in 0 structures by 0.00 A. Peak 7510 from nnoeabs.peaks (4.09, 7.43, 111.83 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.7-4.1 3416/7513=57...(18) HA GLN 101 - HE22 GLN 104 poor 19 93 20 - 4.4-6.4 HB THR 65 - HE22 GLN 104 far 0 76 0 - 7.8-13.0 HA LEU 98 - HE22 GLN 104 far 0 89 0 - 9.0-11.8 Violated in 4 structures by 0.03 A. Peak 7511 from nnoeabs.peaks (2.19, 7.43, 111.83 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.7-3.7 4.5=76, 3.0/7514=76...(18) HB2 GLN 101 - HE22 GLN 104 far 0 89 0 - 5.3-8.2 HB3 GLU 97 - HE22 GLN 104 far 0 65 0 - 8.3-13.0 HB2 GLN 68 - HE22 GLN 104 far 0 57 0 - 9.0-14.4 HB3 GLN 68 - HE22 GLN 104 far 0 97 0 - 9.0-15.1 HB3 LEU 69 - HE22 GLN 104 far 0 73 0 - 9.5-16.5 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 6 assignments used, quality = 1.00: * HB3 GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.8-3.4 4.5=85, 3.0/7514=80...(19) HB2 GLN 101 - HE22 GLN 104 far 0 90 0 - 5.3-8.2 HB3 GLU 102 - HE22 GLN 104 far 0 99 0 - 7.7-10.2 HG2 GLN 68 - HE22 GLN 104 far 0 98 0 - 8.0-14.9 HB3 GLU 97 - HE22 GLN 104 far 0 99 0 - 8.3-13.0 HB2 GLN 68 - HE22 GLN 104 far 0 100 0 - 9.0-14.4 Violated in 0 structures by 0.00 A. Peak 7513 from nnoeabs.peaks (2.38, 7.43, 111.83 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.7-3.5 3.5=87, 1.8/7514=73...(13) HG2 GLU 102 - HE22 GLN 104 far 0 76 0 - 6.7-11.8 Violated in 4 structures by 0.03 A. Peak 7514 from nnoeabs.peaks (2.47, 7.43, 111.83 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.7-3.5 3.5=82, 1.8/7513=68...(11) HG2 MET 11 - HE22 GLN 104 far 0 99 0 - 6.5-49.8 Violated in 15 structures by 0.16 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 98 100 100 98 3.4-5.5 3282/7499=70...(9) HA GLN 104 + H VAL 105 OK 93 93 100 100 3.3-3.6 3.6=100 HA LEU 98 - H VAL 105 far 0 100 0 - 7.7-10.1 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 3.4-4.2 10086/3478=81...(7) HA LEU 119 - H VAL 105 far 0 71 0 - 9.0-12.8 Violated in 1 structures by 0.00 A. Peak 7519 from nnoeabs.peaks (8.08, 7.62, 114.95 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 103 + H VAL 105 OK 100 100 100 100 3.6-4.5 7485/7499=83...(10) H ALA 108 - H VAL 105 poor 20 100 20 - 3.3-7.7 H ALA 109 - H VAL 105 far 0 100 0 - 6.9-11.2 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 3.7-5.1 3.6/7499=92, 3.0/7519=77...(6) HA SER 60 - H VAL 105 far 0 99 0 - 7.4-9.3 HB3 SER 99 - H VAL 105 far 0 97 0 - 8.5-10.5 HA LEU 119 - H VAL 105 far 0 98 0 - 9.0-12.8 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 2.3-3.1 7499=100, 10070/3478=46...(10) H SER 106 + H VAL 105 OK 100 100 100 100 2.2-2.9 7535=100, 7536/3.0=54...(12) HD22 ASN 116 - H VAL 105 far 0 83 0 - 6.6-11.4 Violated in 0 structures by 0.00 A. Peak 7522 from nnoeabs.peaks (4.09, 7.62, 114.95 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 104 + H VAL 105 OK 100 100 100 100 3.3-3.6 3.6=100 HA GLN 101 + H VAL 105 OK 69 93 85 87 3.4-5.5 3282/7499=42...(9) HA LEU 98 - H VAL 105 far 0 89 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 7523 from nnoeabs.peaks (2.19, 7.62, 114.95 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.99: * HB2 GLN 104 + H VAL 105 OK 99 100 100 99 2.2-4.2 4.4=76, 7493/7499=69...(7) HB2 GLN 101 - H VAL 105 far 4 89 5 - 3.9-6.7 HB3 GLU 97 - H VAL 105 far 0 65 0 - 8.8-12.1 Violated in 5 structures by 0.04 A. Peak 7524 from nnoeabs.peaks (2.22, 7.62, 114.95 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.98: * HB3 GLN 104 + H VAL 105 OK 98 100 100 98 3.6-4.5 4.4=66, 7494/7499=60...(8) HB2 GLN 101 - H VAL 105 far 5 90 5 - 3.9-6.7 HB3 GLU 102 - H VAL 105 far 0 99 0 - 4.9-6.2 HB3 GLU 97 - H VAL 105 far 0 99 0 - 8.8-12.1 Violated in 18 structures by 0.16 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 1.8-3.4 5.0=87, 3.0/7524=81...(13) HG2 GLU 102 - H VAL 105 far 0 76 0 - 5.6-7.6 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 2 assignments used, quality = 1.00: * HG3 GLN 104 + H VAL 105 OK 100 100 100 100 1.9-4.3 5.0=100 HG2 MET 11 - H VAL 105 far 0 99 0 - 8.5-53.5 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 3 assignments used, quality = 1.00: * HA VAL 105 + H VAL 105 OK 100 100 100 100 2.7-2.9 3.0=100 HA SER 99 - H VAL 105 far 0 65 0 - 7.4-8.7 HA HIS 67 - H VAL 105 far 0 65 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 7530 from nnoeabs.peaks (2.26, 7.62, 114.95 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + H VAL 105 OK 100 100 100 100 3.4-3.7 3466=85, 2.1/3478=76...(11) Violated in 19 structures by 0.19 A. Peak 7531 from nnoeabs.peaks (0.96, 7.62, 114.95 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 105 + H VAL 105 OK 100 100 100 100 1.9-3.5 3472=98, 2.1/3478=77...(13) QD1 LEU 119 - H VAL 105 far 0 87 0 - 8.5-11.4 Violated in 1 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 1.7-2.2 3478=100, 2.1/7530=54...(15) QG2 VAL 118 - H VAL 105 far 0 99 0 - 5.7-7.7 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 2.2-2.9 7535=100, 7536/3.0=51...(12) H GLN 104 + H VAL 105 OK 100 100 100 100 2.3-3.1 7499=100, 10070/3478=43...(10) HD22 ASN 116 - H VAL 105 far 0 87 0 - 6.6-11.4 Violated in 0 structures by 0.00 A. Peak 7534 from nnoeabs.peaks (7.90, 7.90, 116.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 106 + H SER 106 OK 100 100 - 100 Peak 7535 from nnoeabs.peaks (7.62, 7.90, 116.86 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.97: * H VAL 105 + H SER 106 OK 97 100 100 97 2.2-2.9 3.0/7536=46...(12) Violated in 0 structures by 0.00 A. Peak 7536 from nnoeabs.peaks (4.19, 7.90, 116.86 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 105 + H SER 106 OK 100 100 100 100 3.5-3.6 3.6=90, 3.0/7535=58...(14) HA SER 99 - H SER 106 far 0 65 0 - 7.4-8.8 Violated in 20 structures by 0.11 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 2.6-3.7 3471=79, 2.1/7539=66...(13) Violated in 12 structures by 0.05 A. Peak 7538 from nnoeabs.peaks (0.96, 7.90, 116.86 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 105 + H SER 106 OK 100 100 100 100 3.8-4.0 2.1/7537=74, 2.1/7539=73...(16) QD1 LEU 119 - H SER 106 far 0 87 0 - 7.8-11.6 QD2 LEU 53 - H SER 106 far 0 99 0 - 9.9-17.0 Violated in 20 structures by 0.15 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 1.8-2.1 2.1/7537=69, 2.1/7538=64...(18) QG2 VAL 118 - H SER 106 far 0 99 0 - 4.6-7.0 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 6 assignments used, quality = 1.00: * HB2 SER 106 + H SER 106 OK 95 100 100 95 2.1-3.7 4.0=60, 1.8/3494=37...(12) HB3 SER 106 + H SER 106 OK 91 96 100 95 2.2-3.6 4.0=60, 1.8/3489=36...(15) HB3 SER 107 - H SER 106 far 0 99 0 - 4.6-6.3 HA LEU 100 - H SER 106 far 0 100 0 - 6.8-8.2 HD3 PRO 117 - H SER 106 far 0 93 0 - 8.1-12.4 HA3 GLY 111 - H SER 106 far 0 81 0 - 9.1-14.3 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 = 1.00: * HB3 SER 106 + H SER 106 OK 95 100 100 95 2.2-3.6 4.0=60, 1.8/3489=36...(15) HB2 SER 106 + H SER 106 OK 91 96 100 95 2.1-3.7 4.0=60, 1.8/3494=37...(12) HB3 SER 107 - H SER 106 far 0 87 0 - 4.6-6.3 HA LEU 100 - H SER 106 far 0 89 0 - 6.8-8.2 HD3 PRO 117 - H SER 106 far 0 68 0 - 8.1-12.4 HB3 SER 99 - H SER 106 far 0 65 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 7543 from nnoeabs.peaks (8.23, 7.90, 116.86 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H SER 107 + H SER 106 OK 100 100 100 100 2.5-2.8 7545=99, 7546/2.9=63...(8) 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 2.5-2.8 7543=100, 2.9/7546=64...(8) H GLN 104 - H SER 107 far 5 100 5 - 4.0-5.2 HD22 ASN 116 - H SER 107 far 4 87 5 - 4.3-9.9 H THR 115 - H SER 107 far 0 99 0 - 8.3-16.1 Violated in 0 structures by 0.00 A. Peak 7546 from nnoeabs.peaks (4.46, 8.23, 117.55 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.98: * HA SER 106 + H SER 107 OK 98 100 100 98 3.0-3.6 3488=92, 2.9/7543=43...(8) HA PRO 58 - H SER 107 far 0 100 0 - 9.1-12.9 HA ASP 64 - H SER 107 far 0 100 0 - 10.0-13.7 Violated in 13 structures by 0.22 A. Peak 7547 from nnoeabs.peaks (3.97, 8.23, 117.55 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: HB3 SER 107 + H SER 107 OK 99 99 100 100 2.2-4.0 4.1=100 * HB2 SER 106 + H SER 107 OK 99 100 100 99 2.5-4.6 3.0/7546=76, 4.5=76...(13) HB3 SER 106 + H SER 107 OK 95 96 100 99 2.4-4.3 3.0/7546=76, 4.5=76...(14) HD3 PRO 117 - H SER 107 far 0 93 0 - 6.6-12.2 HA LEU 100 - H SER 107 far 0 100 0 - 7.0-9.2 HA3 GLY 111 - H SER 107 far 0 81 0 - 7.7-12.3 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 99 100 100 99 2.4-4.3 3.0/7546=74, 4.5=72...(14) HB2 SER 106 + H SER 107 OK 95 96 100 99 2.5-4.6 3.0/7546=74, 4.5=72...(13) HB3 SER 107 + H SER 107 OK 86 87 100 99 2.2-4.0 4.1=97, 4.7/7554=46...(7) HD3 PRO 117 - H SER 107 far 0 68 0 - 6.6-12.2 HA LEU 100 - H SER 107 far 0 89 0 - 7.0-9.2 HB3 SER 99 - H SER 107 far 0 65 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 7549 from nnoeabs.peaks (4.39, 8.23, 117.55 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 107 + H SER 107 OK 100 100 100 100 2.3-2.9 3.0=100 HA PRO 117 - H SER 107 far 0 81 0 - 9.8-14.8 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 2.3-4.0 4.1=100 HB2 SER 60 - H SER 107 far 0 93 0 - 6.5-11.2 HA2 GLY 111 - H SER 107 far 0 98 0 - 6.6-12.0 HD3 PRO 117 - H SER 107 far 0 57 0 - 6.6-12.2 HB3 SER 60 - H SER 107 far 0 93 0 - 6.7-11.4 HA3 GLY 111 - H SER 107 far 0 76 0 - 7.7-12.3 Violated in 0 structures by 0.00 A. Peak 7551 from nnoeabs.peaks (3.96, 8.23, 117.55 ppm; 3.98 A): 3 out of 7 assignments used, quality = 1.00: * HB3 SER 107 + H SER 107 OK 99 100 100 99 2.2-4.0 4.1=94, 4.7/7554=45...(7) HB2 SER 106 + H SER 107 OK 98 99 100 99 2.5-4.6 3.0/7546=73, 4.5=70...(13) HB3 SER 106 + H SER 107 OK 86 87 100 99 2.4-4.3 3.0/7546=73, 4.5=70...(14) HA2 GLY 111 - H SER 107 far 0 60 0 - 6.6-12.0 HD3 PRO 117 - H SER 107 far 0 99 0 - 6.6-12.2 HA LEU 100 - H SER 107 far 0 100 0 - 7.0-9.2 HA3 GLY 111 - H SER 107 far 0 92 0 - 7.7-12.3 Violated in 0 structures by 0.00 A. Peak 7552 from nnoeabs.peaks (8.08, 8.23, 117.55 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 108 + H SER 107 OK 100 100 100 100 2.3-3.4 7554=100, 7555/3.0=58...(13) H ALA 109 - H SER 107 far 5 100 5 - 4.0-7.1 H LEU 103 - H SER 107 far 0 100 0 - 4.4-6.5 H ASN 120 - H SER 107 far 0 100 0 - 9.3-14.6 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; 3.29 A): 1 out of 1 assignment used, quality = 0.99: * H SER 107 + H ALA 108 OK 99 100 100 99 2.3-3.4 7552=88, 3.0/7555=53...(13) Violated in 3 structures by 0.01 A. Peak 7555 from nnoeabs.peaks (4.39, 8.08, 124.88 ppm; 3.21 A): 1 out of 2 assignments used, quality = 0.97: * HA SER 107 + H ALA 108 OK 97 100 100 97 2.5-3.6 3.6=73, 3.0/7554=49...(14) HA PRO 113 - H ALA 108 far 0 90 0 - 10.0-13.6 Violated in 11 structures by 0.11 A. Peak 7556 from nnoeabs.peaks (3.92, 8.08, 124.88 ppm; 4.23 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 107 + H ALA 108 OK 100 100 100 100 3.2-4.3 3.0/7555=79, 4.7=75...(12) HA2 GLY 111 - H ALA 108 far 0 98 0 - 6.4-10.3 HB2 SER 60 - H ALA 108 far 0 93 0 - 6.7-12.0 HA3 GLY 111 - H ALA 108 far 0 76 0 - 6.9-10.9 HB3 SER 60 - H ALA 108 far 0 93 0 - 7.0-11.2 HD3 PRO 117 - H ALA 108 far 0 57 0 - 7.1-12.7 HD3 PRO 113 - H ALA 108 far 0 92 0 - 7.9-13.8 Violated in 9 structures by 0.03 A. Peak 7557 from nnoeabs.peaks (3.96, 8.08, 124.88 ppm; 3.85 A): 3 out of 8 assignments used, quality = 1.00: * HB3 SER 107 + H ALA 108 OK 98 100 100 98 2.3-4.7 3.0/7555=69, 4.7=57...(12) HB2 SER 106 + H ALA 108 OK 61 99 65 95 2.9-6.9 4.5/7554=44...(15) HB3 SER 106 + H ALA 108 OK 38 87 45 96 2.7-6.8 4.5/7554=44...(17) HA2 GLY 111 - H ALA 108 far 0 60 0 - 6.4-10.3 HA3 GLY 111 - H ALA 108 far 0 92 0 - 6.9-10.9 HD3 PRO 117 - H ALA 108 far 0 99 0 - 7.1-12.7 HA LEU 100 - H ALA 108 far 0 100 0 - 7.9-12.0 HD3 PRO 113 - H ALA 108 far 0 76 0 - 7.9-13.8 Violated in 2 structures by 0.00 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 2.3-2.9 3.0=100 HA ALA 109 - H ALA 108 far 0 100 0 - 4.7-5.6 HA ALA 110 - H ALA 108 far 0 99 0 - 4.9-9.0 HB THR 115 - H ALA 108 far 0 100 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 7559 from nnoeabs.peaks (1.38, 8.08, 124.88 ppm; 2.66 A): 1 out of 5 assignments used, quality = 0.87: * QB ALA 108 + H ALA 108 OK 87 100 100 87 2.0-2.9 2.9=76, 10101/7554=17...(8) QB ALA 109 - H ALA 108 far 0 100 0 - 3.8-5.5 QB ALA 110 - H ALA 108 far 0 100 0 - 3.9-8.7 QB ALA 12 - H ALA 108 far 0 71 0 - 9.4-44.7 HB3 LEU 100 - H ALA 108 far 0 100 0 - 10.0-14.1 Violated in 5 structures by 0.03 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 108 + H ALA 109 OK 100 100 100 100 2.2-3.6 3.6=100 HA ALA 109 + H ALA 109 OK 100 100 100 100 2.7-2.9 3.0=100 HA ALA 110 - H ALA 109 poor 19 99 25 76 4.0-6.0 7570/4.7=24, 3.6/7567=15...(17) HB THR 115 - H ALA 109 far 0 100 0 - 7.7-14.0 HA GLN 61 - H ALA 109 far 0 100 0 - 10.0-15.0 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 2.0-2.8 2.9=100 * QB ALA 108 + H ALA 109 OK 93 100 100 93 2.0-3.7 3.7=87, 7559/4.6=38...(6) QB ALA 110 - H ALA 109 far 15 100 15 - 4.3-5.9 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 108 + H ALA 109 OK 100 100 100 100 2.2-3.6 3.6=100 * HA ALA 109 + H ALA 109 OK 100 100 100 100 2.7-2.9 3.0=100 HA ALA 110 - H ALA 109 poor 19 99 25 76 4.0-6.0 7570/4.7=24, 3.6/7567=15...(17) HB THR 115 - H ALA 109 far 0 100 0 - 7.7-14.0 HA GLN 61 - H ALA 109 far 0 100 0 - 10.0-15.0 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 2.0-2.8 2.9=100 QB ALA 108 + H ALA 109 OK 93 100 100 93 2.0-3.7 3.7=87, 7559/4.6=38...(7) QB ALA 110 - H ALA 109 far 15 99 15 - 4.3-5.9 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 1.8-4.6 4.7=100 H GLY 111 + H ALA 109 OK 72 100 95 76 2.9-6.5 7578/2.9=27...(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; 2.85 A): 2 out of 4 assignments used, quality = 0.98: HA ALA 110 + H ALA 110 OK 95 99 100 96 2.3-2.9 3.0=90, 2.1/7573=34...(11) * HA ALA 109 + H ALA 110 OK 69 100 100 69 2.1-3.6 3.6=51, 2.1/7571=24...(7) HA ALA 108 - H ALA 110 lone 1 100 30 4 3.3-6.5 11966/11478=2, 2.1/3529=2 HB THR 115 - H ALA 110 far 0 100 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 7571 from nnoeabs.peaks (1.39, 8.30, 123.19 ppm; 2.88 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 110 + H ALA 110 OK 98 99 100 98 2.0-2.9 2.9=95, 2.1/7572=35...(12) * QB ALA 109 + H ALA 110 OK 70 100 100 70 2.0-3.7 3.7=47, 2.1/7570=25...(10) QB ALA 108 - H ALA 110 far 5 100 5 - 2.8-6.1 Violated in 0 structures by 0.00 A. Peak 7572 from nnoeabs.peaks (4.28, 8.30, 123.19 ppm; 2.85 A): 2 out of 4 assignments used, quality = 0.99: * HA ALA 110 + H ALA 110 OK 96 100 100 96 2.3-2.9 3.0=90, 2.1/7573=34...(11) HA ALA 109 + H ALA 110 OK 68 99 100 69 2.1-3.6 3.6=51, 2.1/7571=24...(7) HA ALA 108 - H ALA 110 lone 1 99 30 4 3.3-6.5 11966/11478=2, 2.1/3529=2 HB THR 115 - H ALA 110 far 0 97 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 7573 from nnoeabs.peaks (1.38, 8.30, 123.19 ppm; 2.88 A): 2 out of 3 assignments used, quality = 0.99: * QB ALA 110 + H ALA 110 OK 98 100 100 98 2.0-2.9 2.9=95, 2.1/7572=35...(12) QB ALA 109 + H ALA 110 OK 69 99 100 70 2.0-3.7 3.7=47, 2.1/7570=25...(10) QB ALA 108 - H ALA 110 far 5 100 5 - 2.8-6.1 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 14 assignments used, quality = 0.71: * HA ALA 110 + H GLY 111 OK 60 100 85 70 2.2-3.6 3.6=39, 2.1/7578=25...(11) HA ALA 16 + H GLY 17 OK 29 54 95 57 2.1-3.6 3.6=39, 3.0/6127=22...(4) HA ALA 109 - H GLY 111 poor 20 99 20 - 3.2-5.1 HA ALA 108 - H GLY 111 far 0 99 0 - 3.6-7.8 HA ALA 15 - H GLY 17 far 0 57 0 - 4.1-6.3 HA THR 18 - H GLY 17 far 0 54 0 - 4.2-5.4 HA LYS 19 - H GLY 17 far 0 45 0 - 5.3-8.5 HA ALA 21 - H GLY 17 far 0 55 0 - 5.8-9.5 HA ALA 12 - H GLY 17 far 0 57 0 - 6.5-15.7 HB THR 115 - H GLY 111 far 0 97 0 - 7.3-10.5 HA ARG 23 - H GLY 17 far 0 57 0 - 7.7-14.1 HA GLN 61 - H GLY 111 far 0 100 0 - 9.2-15.1 HA LEU 22 - H GLY 17 far 0 46 0 - 9.3-12.7 HA SER 74 - H GLY 17 far 0 55 0 - 9.7-38.2 Violated in 0 structures by 0.00 A. Peak 7578 from nnoeabs.peaks (1.38, 8.30, 108.05 ppm; 2.97 A): 3 out of 11 assignments used, quality = 0.96: * QB ALA 110 + H GLY 111 OK 88 100 100 88 2.6-3.7 3.7=51, 2.1/7577=47...(10) QB ALA 109 + H GLY 111 OK 48 99 80 61 2.4-4.6 10117/3.0=14...(9) QB ALA 16 + H GLY 17 OK 29 38 100 77 2.4-3.7 3.7=51, 2.9/6127=30...(5) QB ALA 15 - H GLY 17 poor 11 57 20 - 3.4-5.8 HG2 LYS 19 - H GLY 17 poor 9 43 20 - 2.1-6.5 QB ALA 108 - H GLY 111 far 5 100 5 - 3.4-7.6 QB ALA 12 - H GLY 17 far 0 36 0 - 6.6-13.5 QB ALA 29 - H GLY 17 far 0 57 0 - 8.3-21.8 HG3 LYS 31 - H GLY 17 far 0 54 0 - 8.7-22.2 QB ALA 28 - H GLY 17 far 0 57 0 - 9.0-20.1 HG2 LYS 24 - H GLY 17 far 0 56 0 - 9.7-16.1 Violated in 0 structures by 0.00 A. Peak 7579 from nnoeabs.peaks (3.93, 8.30, 108.05 ppm; 2.91 A): 4 out of 13 assignments used, quality = 1.00: * HA2 GLY 111 + H GLY 111 OK 98 100 100 98 2.3-2.9 3.0=95, 3.6/7581=32...(7) HA3 GLY 111 + H GLY 111 OK 91 93 100 98 2.3-2.9 3.0=95, 3.6/7581=32...(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 - 4.4-10.1 HB3 SER 107 - H GLY 111 far 0 60 0 - 4.6-10.6 HA3 GLY 14 - H GLY 17 far 0 50 0 - 5.0-9.1 HB3 SER 60 - H GLY 111 far 0 76 0 - 5.1-13.6 HA2 GLY 14 - H GLY 17 far 0 49 0 - 5.3-8.9 HD3 PRO 113 - H GLY 111 far 0 99 0 - 5.8-7.5 HD3 PRO 117 - H GLY 111 far 0 81 0 - 6.1-13.5 HB2 SER 60 - H GLY 111 far 0 76 0 - 6.6-13.0 HA3 GLY 75 - H GLY 17 far 0 29 0 - 9.9-34.6 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 2.3-2.9 3.0=100 HA2 GLY 111 + H GLY 111 OK 93 93 100 100 2.3-2.9 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 - 4.4-10.1 HB3 SER 107 - H GLY 111 far 0 92 0 - 4.6-10.6 HA3 GLY 14 - H GLY 17 far 0 32 0 - 5.0-9.1 HA2 GLY 14 - H GLY 17 far 0 30 0 - 5.3-8.9 HB2 SER 106 - H GLY 111 far 0 81 0 - 5.3-12.1 HD3 PRO 113 - H GLY 111 far 0 99 0 - 5.8-7.5 HD3 PRO 117 - H GLY 111 far 0 99 0 - 6.1-13.5 Violated in 0 structures by 0.00 A. Peak 7581 from nnoeabs.peaks (7.93, 8.30, 108.05 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.96: * H VAL 112 + H GLY 111 OK 96 100 100 96 1.9-3.4 7583=85, 4.1/10121=32...(6) HD22 ASN 116 - H GLY 111 far 9 87 10 - 3.6-11.5 Violated in 1 structures by 0.00 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 1.9-3.4 7581=100, 10121/4.1=36...(6) H ALA 110 - H VAL 112 far 15 100 15 - 3.8-5.9 Violated in 0 structures by 0.00 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, 3.0/7581=43...(7) HA3 GLY 111 + H VAL 112 OK 78 93 100 83 2.8-3.6 3.6=62, 3.0/7581=43...(5) HD3 PRO 113 - H VAL 112 far 0 99 0 - 4.0-5.0 HB2 SER 107 - H VAL 112 far 0 98 0 - 5.1-11.5 HB3 SER 107 - H VAL 112 far 0 60 0 - 6.2-11.6 HD3 PRO 117 - H VAL 112 far 0 81 0 - 6.6-11.6 HB2 SER 60 - H VAL 112 far 0 76 0 - 7.0-13.0 HB3 SER 60 - H VAL 112 far 0 76 0 - 7.2-13.6 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 7 assignments used, quality = 1.00: * HA3 GLY 111 + H VAL 112 OK 97 100 100 97 2.8-3.6 3.6=88, 3.0/7581=54...(6) HA2 GLY 111 + H VAL 112 OK 90 93 100 97 2.2-3.5 3.6=88, 3.0/7581=54...(6) HD3 PRO 113 - H VAL 112 far 5 99 5 - 4.0-5.0 HB2 SER 107 - H VAL 112 far 0 76 0 - 5.1-11.5 HB3 SER 107 - H VAL 112 far 0 92 0 - 6.2-11.6 HD3 PRO 117 - H VAL 112 far 0 99 0 - 6.6-11.6 HB2 SER 106 - H VAL 112 far 0 81 0 - 7.0-12.7 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 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 7587 from nnoeabs.peaks (2.12, 7.93, 120.44 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 112 + H VAL 112 OK 100 100 100 100 2.6-3.6 3551=92, 2.1/3556=69...(14) HB VAL 57 - H VAL 112 far 0 63 0 - 6.9-12.5 HB2 PRO 56 - H VAL 112 far 0 87 0 - 7.3-12.5 HB3 GLN 61 - H VAL 112 far 0 89 0 - 7.3-14.4 HB2 GLN 61 - H VAL 112 far 0 83 0 - 8.1-12.9 Violated in 8 structures by 0.07 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 1.9-2.9 3556=100, 2.1/7587=56...(17) QD1 LEU 119 - H VAL 112 far 9 87 10 - 3.6-6.6 QD1 LEU 62 - H VAL 112 far 0 97 0 - 4.6-8.4 QG2 VAL 63 - H VAL 112 far 0 95 0 - 7.2-9.5 QG1 VAL 57 - H VAL 112 far 0 71 0 - 7.3-12.1 QG1 VAL 118 - H VAL 112 far 0 73 0 - 7.7-10.8 Violated in 0 structures by 0.00 A. Peak 7589 from nnoeabs.peaks (0.97, 7.93, 120.44 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 112 + H VAL 112 OK 100 100 100 100 3.7-4.0 2.1/3556=89, 3561=87...(14) QD1 LEU 119 - H VAL 112 far 10 68 15 - 3.6-6.6 QG1 VAL 57 - H VAL 112 far 0 85 0 - 7.3-12.1 QD2 LEU 53 - H VAL 112 far 0 100 0 - 8.0-13.0 Violated in 14 structures by 0.08 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 = 0.97: * HA PRO 113 + H GLY 114 OK 97 100 100 97 2.2-2.7 3593=75, 2.3/7593=34...(15) HA PRO 117 - H GLY 114 far 0 100 0 - 5.1-10.3 HA THR 115 - H GLY 114 far 0 60 0 - 5.3-5.8 HA SER 107 - H GLY 114 far 0 90 0 - 8.9-14.4 Violated in 2 structures by 0.00 A. Peak 7592 from nnoeabs.peaks (1.91, 8.57, 108.97 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 113 + H GLY 114 OK 100 100 100 100 3.2-4.2 3.9=100 HG2 PRO 113 - H GLY 114 far 8 78 10 - 4.6-5.8 HG LEU 53 - H GLY 114 far 0 68 0 - 7.7-14.4 HB3 LEU 123 - H GLY 114 far 0 62 0 - 9.4-13.2 Violated in 6 structures by 0.09 A. Peak 7593 from nnoeabs.peaks (2.27, 8.57, 108.97 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 113 + H GLY 114 OK 100 100 100 100 2.0-3.8 2.3/7591=85, 3.9=79...(16) Violated in 6 structures by 0.06 A. Peak 7594 from nnoeabs.peaks (1.93, 8.57, 108.97 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.85: HB2 PRO 113 + H GLY 114 OK 78 78 100 100 3.2-4.2 3.9=100 * HG2 PRO 113 + H GLY 114 OK 30 100 30 100 4.6-5.8 2.3/7593=77, 3.8/7591=67...(11) HG LEU 53 - H GLY 114 far 0 100 0 - 7.7-14.4 HB2 PRO 58 - H GLY 114 far 0 89 0 - 8.3-15.6 Violated in 6 structures by 0.02 A. Peak 7595 from nnoeabs.peaks (2.06, 8.57, 108.97 ppm; 4.34 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 113 + H GLY 114 OK 100 100 100 100 3.9-5.0 2.3/7593=85, 2.3/7592=80...(12) HB VAL 57 - H GLY 114 far 0 60 0 - 6.2-13.8 HB3 GLU 55 - H GLY 114 far 0 85 0 - 6.6-13.5 HG3 PRO 117 - H GLY 114 far 0 97 0 - 7.6-12.7 HB VAL 118 - H GLY 114 far 0 100 0 - 7.7-11.1 HB2 LEU 62 - H GLY 114 far 0 100 0 - 7.9-13.7 HG2 PRO 117 - H GLY 114 far 0 99 0 - 8.1-12.5 HG3 PRO 58 - H GLY 114 far 0 97 0 - 8.9-16.6 Violated in 11 structures by 0.25 A. Peak 7596 from nnoeabs.peaks (3.70, 8.57, 108.97 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.85: * HD2 PRO 113 + H GLY 114 OK 85 100 85 100 5.4-5.6 3.6/7591=88, 3.0/7593=84...(14) Violated in 20 structures by 0.81 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 2.3-2.9 2.9=100 HD2 PRO 117 - H GLY 114 far 0 76 0 - 5.8-10.7 Violated in 0 structures by 0.00 A. Peak 7599 from nnoeabs.peaks (4.12, 8.57, 108.97 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 114 + H GLY 114 OK 100 100 100 100 2.3-2.8 2.9=100 HA ALA 52 - H GLY 114 far 0 99 0 - 7.8-15.1 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 = 0.75: * H THR 115 + H GLY 114 OK 75 100 75 100 2.7-4.3 7602=100, 7603/2.9=49...(16) HD22 ASN 116 - H GLY 114 far 0 96 0 - 6.2-11.6 Violated in 17 structures by 0.48 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 = 0.75: * H GLY 114 + H THR 115 OK 75 100 75 100 2.7-4.3 7600=100, 2.9/7603=49...(15) Violated in 17 structures by 0.48 A. Peak 7603 from nnoeabs.peaks (3.88, 7.90, 111.39 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 114 + H THR 115 OK 100 100 100 100 2.2-3.4 3.6=89, 1.8/7604=71...(13) HD2 PRO 117 - H THR 115 far 4 76 5 - 3.3-6.9 Violated in 0 structures by 0.00 A. Peak 7604 from nnoeabs.peaks (4.12, 7.90, 111.39 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + H THR 115 OK 100 100 100 100 3.1-3.6 3.6=91, 1.8/7603=73...(12) Violated in 12 structures by 0.03 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 2.7-2.9 3.0=100 HA PRO 113 - H THR 115 far 9 60 15 - 3.1-5.5 HA VAL 112 - H THR 115 far 0 81 0 - 5.6-7.3 HA SER 107 - H THR 115 far 0 95 0 - 6.1-15.3 HA ASN 120 - H THR 115 far 0 73 0 - 7.8-11.4 HA THR 54 - H THR 115 far 0 76 0 - 8.2-14.0 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 2.2-3.4 2.1/7607=78, 3639=76...(13) HA ALA 109 - H THR 115 far 0 100 0 - 7.4-14.0 HA ALA 110 - H THR 115 far 0 97 0 - 7.7-12.7 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 1.9-3.0 3644=74, 3645/3.0=53...(14) HB3 LEU 62 - H THR 115 far 0 97 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 7608 from nnoeabs.peaks (8.45, 7.90, 111.39 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.96: * H ASN 116 + H THR 115 OK 96 100 100 96 1.8-2.9 3638/3.0=42, 7610=42...(12) Violated in 0 structures by 0.00 A. Peak 7609 from nnoeabs.peaks (8.45, 8.45, 123.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + H ASN 116 OK 100 100 - 100 Peak 7610 from nnoeabs.peaks (7.90, 8.45, 123.09 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * H THR 115 + H ASN 116 OK 100 100 100 100 1.8-2.9 7608=100, 3.0/3638=62...(12) HD22 ASN 116 + H ASN 116 OK 31 96 35 93 3.1-5.8 3.5/7615=52, 3.5/7616=52...(8) H SER 106 - H ASN 116 far 0 99 0 - 9.2-14.8 H GLN 104 - H ASN 116 far 0 99 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 7611 from nnoeabs.peaks (4.40, 8.45, 123.09 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 115 + H ASN 116 OK 100 100 100 100 3.4-3.6 3638=100, 3.0/7608=61...(15) HA PRO 113 - H ASN 116 poor 12 60 20 - 3.3-6.9 HA SER 107 - H ASN 116 far 0 95 0 - 5.1-13.2 HA VAL 112 - H ASN 116 far 0 81 0 - 5.2-8.2 HA ASN 120 - H ASN 116 far 0 73 0 - 8.1-10.0 HA THR 54 - H ASN 116 far 0 76 0 - 9.8-13.3 Violated in 19 structures by 0.09 A. Peak 7612 from nnoeabs.peaks (4.27, 8.45, 123.09 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 115 + H ASN 116 OK 100 100 100 100 3.7-4.1 3643=81, 3636/3638=69...(11) HA ALA 109 - H ASN 116 far 0 100 0 - 7.0-11.9 HA ALA 110 - H ASN 116 far 0 97 0 - 7.3-12.3 HA ALA 108 - H ASN 116 far 0 100 0 - 8.7-13.3 Violated in 19 structures by 0.12 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 1.9-2.5 4.2=100 HB3 LEU 62 - H ASN 116 far 0 97 0 - 8.6-11.4 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 2.7-2.9 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 = 0.99: * HB2 ASN 116 + H ASN 116 OK 99 100 100 99 2.1-3.4 1.8/7616=70, 3655=60...(13) HB3 ASN 59 - H ASN 116 far 0 73 0 - 6.2-11.0 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 = 0.98: * HB3 ASN 116 + H ASN 116 OK 98 100 100 98 2.5-3.8 1.8/7615=72, 4.0=62...(10) Violated in 8 structures by 0.09 A. Peak 7618 from nnoeabs.peaks (7.92, 8.45, 123.09 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.97: H THR 115 + H ASN 116 OK 96 96 100 100 1.8-2.9 7608=93, 3.0/3638=62...(12) * HD22 ASN 116 + H ASN 116 OK 33 100 35 93 3.1-5.8 3.5/7615=52, 3.5/7616=52...(8) H VAL 112 - H ASN 116 far 0 87 0 - 4.9-7.7 H SER 106 - H ASN 116 far 0 87 0 - 9.2-14.8 H GLN 104 - H ASN 116 far 0 83 0 - 9.8-13.1 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 3.4-5.9 5.5=100 Violated in 0 structures by 0.00 A. Peak 7621 from nnoeabs.peaks (4.97, 7.01, 113.21 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD21 ASN 116 OK 100 100 100 100 3.6-5.3 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 2.4-4.1 3.5=100 HB3 ASN 59 - HD21 ASN 116 far 4 73 5 - 4.1-8.8 Violated in 6 structures by 0.04 A. Peak 7623 from nnoeabs.peaks (2.93, 7.01, 113.21 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HD21 ASN 116 OK 100 100 100 100 2.1-3.9 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 VAL 112 - HD21 ASN 116 far 4 87 5 - 2.6-9.7 H THR 115 - HD21 ASN 116 far 0 96 0 - 4.3-8.6 H SER 106 - HD21 ASN 116 far 0 87 0 - 5.1-9.7 H GLN 104 - HD21 ASN 116 far 0 83 0 - 5.8-9.7 Violated in 0 structures by 0.00 A. Peak 7625 from nnoeabs.peaks (7.92, 7.92, 113.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HD22 ASN 116 OK 100 100 - 100 Peak 7626 from nnoeabs.peaks (8.45, 7.92, 113.21 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HD22 ASN 116 OK 100 100 100 100 3.1-5.8 7615/3.5=91, 5.5=90...(9) Violated in 5 structures by 0.09 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 2.7-4.7 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 2.1-3.9 3.5=100 HB3 ASN 59 - HD22 ASN 116 far 0 73 0 - 4.7-9.9 Violated in 2 structures by 0.01 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 2.1-3.7 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 3.0-3.4 3.6=100 HA SER 107 - H VAL 118 far 0 81 0 - 6.4-12.6 HA PRO 113 - H VAL 118 far 0 100 0 - 6.5-11.3 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 2 assignments used, quality = 1.00: * HB2 PRO 117 + H VAL 118 OK 100 100 100 100 4.4-4.7 4.3=100 HG2 GLU 102 - H VAL 118 far 0 100 0 - 6.1-10.7 Violated in 2 structures by 0.00 A. Peak 7634 from nnoeabs.peaks (2.01, 7.75, 118.27 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 117 + H VAL 118 OK 100 100 100 100 3.7-4.3 4.3=100 HB3 LEU 53 - H VAL 118 far 0 92 0 - 7.8-12.6 Violated in 0 structures by 0.00 A. Peak 7635 from nnoeabs.peaks (2.05, 7.75, 118.27 ppm; 3.96 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 118 + H VAL 118 OK 100 100 100 100 2.3-2.5 4.0=100 * HG2 PRO 117 + H VAL 118 OK 96 100 100 96 2.9-4.1 2.3/7638=51, 2.3/7637=49...(13) HG3 PRO 117 + H VAL 118 OK 81 100 85 95 4.3-5.2 2.3/7638=51, 2.3/7637=49...(10) HB2 GLU 102 - H VAL 118 far 0 63 0 - 5.4-9.5 HB2 LEU 62 - H VAL 118 far 0 100 0 - 7.9-9.5 HG3 PRO 113 - H VAL 118 far 0 99 0 - 9.4-13.2 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 5 assignments used, quality = 1.00: HB VAL 118 + H VAL 118 OK 99 99 100 100 2.3-2.5 4.0=100 HG2 PRO 117 + H VAL 118 OK 96 100 100 96 2.9-4.1 2.3/7638=51, 2.3/7637=49...(13) * HG3 PRO 117 + H VAL 118 OK 81 100 85 95 4.3-5.2 2.3/7638=51, 2.3/7637=49...(10) HB2 LEU 62 - H VAL 118 far 0 99 0 - 7.9-9.5 HG3 PRO 113 - H VAL 118 far 0 97 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 7637 from nnoeabs.peaks (3.86, 7.75, 118.27 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 117 + H VAL 118 OK 100 100 100 100 3.9-4.4 3678=83, 1.8/7638=82...(12) HA2 GLY 114 - H VAL 118 far 0 76 0 - 6.1-9.4 HA LEU 123 - H VAL 118 far 0 96 0 - 9.6-10.7 HA LEU 62 - H VAL 118 far 0 93 0 - 9.9-11.7 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 9 assignments used, quality = 0.99: * HD3 PRO 117 + H VAL 118 OK 99 100 100 99 2.8-3.7 1.8/7637=77...(13) HA3 GLY 111 - H VAL 118 far 5 99 5 - 5.5-14.8 HB2 SER 106 - H VAL 118 far 5 93 5 - 5.2-11.5 HB2 SER 107 - H VAL 118 far 3 57 5 - 5.3-15.1 HB3 SER 107 - H VAL 118 far 0 99 0 - 6.0-14.5 HB3 SER 106 - H VAL 118 far 0 68 0 - 6.4-10.6 HA2 GLY 111 - H VAL 118 far 0 81 0 - 7.0-14.5 HA LEU 100 - H VAL 118 far 0 98 0 - 7.4-8.7 HD3 PRO 113 - H VAL 118 far 0 92 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 7639 from nnoeabs.peaks (3.81, 7.75, 118.27 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + H VAL 118 OK 100 100 100 100 2.9-2.9 2.8=100 Violated in 0 structures by 0.00 A. Peak 7640 from nnoeabs.peaks (2.06, 7.75, 118.27 ppm; 3.95 A): 3 out of 6 assignments used, quality = 1.00: * HB VAL 118 + H VAL 118 OK 99 100 100 99 2.3-2.5 4.0=99 HG2 PRO 117 + H VAL 118 OK 96 100 100 96 2.9-4.1 2.3/7638=51, 2.3/7637=49...(13) HG3 PRO 117 + H VAL 118 OK 80 99 85 95 4.3-5.2 2.3/7638=51, 2.3/7637=49...(10) HB2 GLU 102 - H VAL 118 far 0 71 0 - 5.4-9.5 HB2 LEU 62 - H VAL 118 far 0 100 0 - 7.9-9.5 HG3 PRO 113 - H VAL 118 far 0 100 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 7641 from nnoeabs.peaks (0.90, 7.75, 118.27 ppm; 3.85 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 118 + H VAL 118 OK 100 100 100 100 3.7-3.8 3.9=96, 2.1/7642=83...(17) QD1 LEU 62 - H VAL 118 far 0 93 0 - 5.3-7.0 QG2 VAL 112 - H VAL 118 far 0 73 0 - 5.8-9.8 QG2 VAL 63 - H VAL 118 far 0 97 0 - 7.6-9.2 QD2 LEU 123 - H VAL 118 far 0 92 0 - 7.8-10.0 QD2 LEU 98 - H VAL 118 far 0 76 0 - 8.9-11.7 QD1 LEU 123 - H VAL 118 far 0 63 0 - 9.1-10.6 QD1 LEU 49 - H VAL 118 far 0 95 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 7642 from nnoeabs.peaks (1.01, 7.75, 118.27 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.99: * QG2 VAL 118 + H VAL 118 OK 99 100 100 99 2.2-2.6 3748=66, 3749/2.8=59...(16) QG2 VAL 105 - H VAL 118 far 0 99 0 - 7.8-10.7 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 2.4-2.6 7646=99, 3753/7642=45...(16) 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 3.6-4.5 7662/7643=73...(13) H LEU 103 - H VAL 118 far 0 100 0 - 5.9-8.3 H ALA 109 - H VAL 118 far 0 99 0 - 6.9-12.4 H ALA 108 - H VAL 118 far 0 100 0 - 8.0-12.4 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 3 assignments used, quality = 1.00: * H VAL 118 + H LEU 119 OK 100 100 100 100 2.4-2.6 7643=100, 7642/3753=45...(16) HD22 ASN 121 - H LEU 119 far 0 71 0 - 5.2-7.8 H GLU 55 - H LEU 119 far 0 100 0 - 8.8-11.5 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 2.2-3.0 3741=82, 2.1/3753=65...(16) HG2 PRO 117 - H LEU 119 far 0 100 0 - 5.3-6.5 HB2 LEU 62 - H LEU 119 far 0 100 0 - 5.8-7.2 HG3 PRO 117 - H LEU 119 far 0 99 0 - 6.5-7.6 HB2 GLU 102 - H LEU 119 far 0 71 0 - 6.7-10.1 HG3 PRO 113 - H LEU 119 far 0 100 0 - 9.6-12.2 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 8 assignments used, quality = 1.00: * QG1 VAL 118 + H LEU 119 OK 100 100 100 100 3.0-3.6 4.1=100 QD1 LEU 62 + H LEU 119 OK 71 93 100 76 3.4-4.9 10954/2.8=54...(10) QD2 LEU 123 - H LEU 119 far 0 92 0 - 6.3-8.4 QG2 VAL 112 - H LEU 119 far 0 73 0 - 6.6-10.1 QG2 VAL 63 - H LEU 119 far 0 97 0 - 6.8-8.0 QD1 LEU 123 - H LEU 119 far 0 63 0 - 7.6-9.1 QD1 LEU 49 - H LEU 119 far 0 95 0 - 7.7-11.0 QD2 LEU 98 - H LEU 119 far 0 76 0 - 9.8-11.8 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...(13) QG2 VAL 105 - H LEU 119 far 0 99 0 - 8.2-10.6 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 2.7-2.8 2.8=100 HA LEU 103 - H LEU 119 far 0 98 0 - 5.1-8.1 HB3 SER 99 - H LEU 119 far 0 83 0 - 5.4-7.7 HA LEU 122 - H LEU 119 far 0 73 0 - 7.2-8.1 HB3 SER 124 - H LEU 119 far 0 100 0 - 8.9-10.7 HA GLU 102 - H LEU 119 far 0 71 0 - 9.0-11.1 HA LEU 96 - H LEU 119 far 0 90 0 - 9.2-10.5 HA SER 50 - H LEU 119 far 0 60 0 - 9.9-11.6 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 5 assignments used, quality = 1.00: * HB2 LEU 119 + H LEU 119 OK 100 100 100 100 2.8-3.6 3.9=100 HG LEU 103 - H LEU 119 far 10 97 10 - 4.3-7.3 HB2 LEU 53 - H LEU 119 far 4 73 5 - 4.8-9.1 HG LEU 123 - H LEU 119 far 0 78 0 - 8.1-9.3 HG LEU 49 - H LEU 119 far 0 65 0 - 9.5-12.6 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 2.2-3.5 3.9=97, 2.9/7654=65...(20) HB3 LEU 123 - H LEU 119 far 0 99 0 - 6.4-8.2 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 1.8-3.6 3781=56, 2.1/3797=55...(25) HG LEU 122 - H LEU 119 far 0 89 0 - 4.5-8.3 HB2 LEU 122 - H LEU 119 far 0 95 0 - 5.0-8.0 HB2 LEU 123 - H LEU 119 far 0 63 0 - 6.3-8.0 HG LEU 62 - H LEU 119 far 0 68 0 - 6.4-8.2 Violated in 0 structures by 0.00 A. Peak 7655 from nnoeabs.peaks (0.80, 7.54, 119.74 ppm; 3.75 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + H LEU 119 OK 100 100 100 100 1.8-4.2 2.1/7654=73, 3790/2.8=70...(21) QD1 LEU 103 + H LEU 119 OK 55 85 75 86 2.5-6.6 10265/3753=43, 11426=23...(12) QD2 LEU 122 + H LEU 119 OK 27 93 30 96 3.4-7.4 ~3764=22, ~11702=20...(38) QD1 LEU 122 + H LEU 119 OK 24 99 25 95 3.9-7.3 11702/2.8=36, ~3764=22...(39) QD1 LEU 53 - H LEU 119 far 0 99 0 - 5.6-9.0 QD2 LEU 49 - H LEU 119 far 0 100 0 - 7.2-10.0 QD1 LEU 96 - H LEU 119 far 0 60 0 - 8.2-9.6 QG1 VAL 63 - H LEU 119 far 0 87 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 7656 from nnoeabs.peaks (0.94, 7.54, 119.74 ppm; 4.11 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 119 + H LEU 119 OK 100 100 100 100 1.6-3.6 3797=100, 2.1/7654=83...(16) QD1 LEU 62 + H LEU 119 OK 44 63 100 71 3.4-4.9 10954/2.8=27...(9) QD2 LEU 53 + H LEU 119 OK 44 71 70 88 4.0-8.6 11845/2.8=43...(20) QG2 VAL 112 - H LEU 119 far 0 87 0 - 6.6-10.1 QD1 LEU 123 - H LEU 119 far 0 93 0 - 7.6-9.1 QD1 LEU 49 - H LEU 119 far 0 60 0 - 7.7-11.0 QG2 VAL 126 - H LEU 119 far 0 78 0 - 8.2-9.3 QG1 VAL 112 - H LEU 119 far 0 68 0 - 8.2-9.7 QG1 VAL 57 - H LEU 119 far 0 99 0 - 9.0-11.2 QG1 VAL 126 - H LEU 119 far 0 92 0 - 10.0-10.8 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 2.6-2.9 7662=100, 7665/7653=42...(13) H LEU 103 - H LEU 119 far 0 100 0 - 6.0-8.6 H ALA 109 - H LEU 119 far 0 99 0 - 7.5-12.8 H ALA 108 - H LEU 119 far 0 100 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 7658 from nnoeabs.peaks (8.12, 7.54, 119.74 ppm; 6.58 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H LEU 119 OK 100 100 100 100 3.7-4.5 7690=100, 7689/3.5=97...(17) Violated in 0 structures by 0.00 A. Peak 7659 from nnoeabs.peaks (8.08, 8.08, 117.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 120 + H ASN 120 OK 100 100 - 100 Peak 7660 from nnoeabs.peaks (7.75, 8.08, 117.66 ppm; 4.97 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 118 + H ASN 120 OK 100 100 100 100 3.6-4.5 7644=100, 7643/7662=81...(13) HD22 ASN 121 + H ASN 120 OK 37 71 65 80 4.1-7.3 3.5/10299=47...(6) H GLU 55 - H ASN 120 far 0 100 0 - 8.4-10.9 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 3.5-4.6 3.5/7662=91, 2.8/7644=86...(14) 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 2.6-2.9 7657=91, 7653/7665=39...(13) H THR 54 - H ASN 120 far 0 99 0 - 7.9-10.9 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 3.4-3.6 3.6=100 HB3 SER 99 - H ASN 120 far 0 83 0 - 5.8-8.1 HB3 SER 124 - H ASN 120 far 0 100 0 - 6.5-8.3 HA LEU 122 - H ASN 120 far 0 73 0 - 6.8-7.3 HA LEU 103 - H ASN 120 far 0 98 0 - 7.8-10.8 HA SER 50 - H ASN 120 far 0 60 0 - 8.4-10.1 HA LEU 96 - H ASN 120 far 0 90 0 - 9.0-10.3 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 5 assignments used, quality = 1.00: * HB2 LEU 119 + H ASN 120 OK 100 100 100 100 3.2-4.4 1.8/7665=83, 4.6=73...(16) HB2 LEU 53 - H ASN 120 far 7 73 10 - 3.6-7.4 HG LEU 123 - H ASN 120 far 0 78 0 - 6.0-7.0 HG LEU 103 - H ASN 120 far 0 97 0 - 6.7-9.9 HG LEU 49 - H ASN 120 far 0 65 0 - 9.7-12.2 Violated in 2 structures by 0.02 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 2.4-3.8 1.8/7664=68, 4.6=60...(14) HB3 LEU 123 - H ASN 120 far 15 99 15 - 4.6-6.7 Violated in 0 structures by 0.00 A. Peak 7666 from nnoeabs.peaks (1.62, 8.08, 117.66 ppm; 4.46 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + H ASN 120 OK 100 100 100 100 3.6-4.8 2.9/7665=74...(17) HB2 LEU 123 + H ASN 120 OK 47 63 75 100 4.3-6.0 ~3927=46, 3813/2.9=45...(19) HG LEU 122 + H ASN 120 OK 38 89 50 87 4.3-8.3 4.6/7675=42, 3763/3.6=17...(14) HB2 LEU 122 - H ASN 120 far 9 95 10 - 5.2-7.9 HG LEU 62 - H ASN 120 far 0 68 0 - 7.9-9.2 Violated in 1 structures by 0.00 A. Peak 7667 from nnoeabs.peaks (0.80, 8.08, 117.66 ppm; 4.25 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 119 + H ASN 120 OK 100 100 100 100 1.8-4.9 3790/3.6=71, 3.1/7665=66...(18) QD1 LEU 122 + H ASN 120 OK 22 99 25 90 4.0-7.6 4.3/7675=40...(13) QD2 LEU 122 - H ASN 120 poor 18 93 25 76 4.5-7.4 5.1/7675=34...(11) QD1 LEU 53 - H ASN 120 far 15 99 15 - 4.7-7.3 QD1 LEU 103 - H ASN 120 far 4 85 5 - 4.3-8.7 QD2 LEU 49 - H ASN 120 far 0 100 0 - 7.1-10.1 QD1 LEU 96 - H ASN 120 far 0 60 0 - 8.1-9.7 Violated in 10 structures by 0.11 A. Peak 7668 from nnoeabs.peaks (0.94, 8.08, 117.66 ppm; 4.17 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 119 + H ASN 120 OK 100 100 100 100 3.2-4.6 3804=66, 3.0/7665=65...(15) QD2 LEU 53 + H ASN 120 OK 45 71 85 75 3.0-6.8 11845/3.6=37, ~11629=22...(9) QD1 LEU 62 - H ASN 120 poor 19 63 30 - 4.7-6.2 QD1 LEU 123 - H ASN 120 far 0 93 0 - 5.8-7.5 QD1 LEU 49 - H ASN 120 far 0 60 0 - 7.7-11.1 QG2 VAL 126 - H ASN 120 far 0 78 0 - 7.9-9.1 QG2 VAL 112 - H ASN 120 far 0 87 0 - 8.3-12.0 QG1 VAL 112 - H ASN 120 far 0 68 0 - 9.3-11.3 QG1 VAL 126 - H ASN 120 far 0 92 0 - 9.5-10.2 Violated in 2 structures by 0.03 A. Peak 7669 from nnoeabs.peaks (4.42, 8.08, 117.66 ppm; 3.62 A): 1 out of 3 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 - 6.9-10.1 HA THR 54 - H ASN 120 far 0 100 0 - 7.5-11.8 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 97 100 100 97 2.1-3.5 3.8=73, 3.5/7677=33...(17) * HB2 ASN 120 + H ASN 120 OK 95 100 100 95 2.1-3.6 3.8=73, 3.5/7677=33...(13) HB2 ASN 121 - H ASN 120 far 5 100 5 - 4.1-6.1 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 97 100 100 97 2.1-3.5 3.8=73, 3.5/7677=33...(17) HB2 ASN 120 + H ASN 120 OK 95 100 100 95 2.1-3.6 3.8=73, 3.5/7677=33...(13) HB2 ASN 121 - H ASN 120 far 5 100 5 - 4.1-6.1 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 3.0-4.7 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 2.9-4.2 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 2.3-2.6 4.1=100 Violated in 0 structures by 0.00 A. Peak 7675 from nnoeabs.peaks (8.18, 8.08, 117.66 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 122 + H ASN 120 OK 99 100 100 99 4.0-4.7 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 3.0-4.7 2.9/3809=71, 7683/1.7=65...(7) Violated in 18 structures by 0.09 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 3.7-4.1 3809=100, 2.9/7677=58...(7) HA THR 54 - HD21 ASN 120 far 10 100 10 - 4.2-9.9 HA THR 115 - HD21 ASN 120 far 0 73 0 - 5.4-11.9 Violated in 0 structures by 0.00 A. Peak 7679 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 ASN 120 + HD21 ASN 120 OK 100 100 100 100 3.3-4.1 3.5=100 HB2 ASN 121 - HD21 ASN 120 far 5 100 5 - 3.3-9.7 Violated in 0 structures by 0.00 A. Peak 7680 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.1-4.1 3.5=100 * HB3 ASN 120 + HD21 ASN 120 OK 100 100 100 100 3.3-4.1 3.5=100 HB2 ASN 121 - HD21 ASN 120 far 5 100 5 - 3.3-9.7 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 2.9-4.2 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 3.0-5.0 4.4=100 HA THR 54 - HD22 ASN 120 far 5 100 5 - 5.2-10.7 HA THR 115 - HD22 ASN 120 far 4 73 5 - 4.9-10.5 HA VAL 112 - HD22 ASN 120 far 0 100 0 - 10.0-15.7 Violated in 1 structures by 0.02 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: * HB2 ASN 120 + HD22 ASN 120 OK 100 100 100 100 2.2-3.6 3.5=100 HB3 ASN 120 + HD22 ASN 120 OK 100 100 100 100 2.2-4.1 3.5=100 HB2 ASN 121 - HD22 ASN 120 far 5 100 5 - 3.6-9.4 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: HB2 ASN 120 + HD22 ASN 120 OK 100 100 100 100 2.2-3.6 3.5=100 * HB3 ASN 120 + HD22 ASN 120 OK 100 100 100 100 2.2-4.1 3.5=100 HB2 ASN 121 - HD22 ASN 120 far 5 100 5 - 3.6-9.4 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 2.9-3.4 3733=70, 3735/7700=60...(20) 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 2 assignments used, quality = 1.00: * H LEU 119 + H ASN 121 OK 100 100 100 100 3.7-4.5 3.5/7689=82, 7662/4.1=82...(17) H THR 54 - H ASN 121 far 0 99 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 7691 from nnoeabs.peaks (4.03, 8.12, 119.98 ppm; 4.17 A): 2 out of 8 assignments used, quality = 0.97: * HA LEU 119 + H ASN 121 OK 96 100 100 96 4.2-5.0 2.8/7690=42, 4.9/7689=40...(16) HB3 SER 99 + H ASN 121 OK 31 83 60 63 4.0-6.3 11475/10322=24...(10) HA LEU 122 - H ASN 121 far 0 73 0 - 5.2-5.5 HB3 SER 124 - H ASN 121 far 0 100 0 - 5.2-6.9 HA LEU 96 - H ASN 121 far 0 90 0 - 7.1-8.7 HA LEU 103 - H ASN 121 far 0 98 0 - 8.0-10.6 HA SER 50 - H ASN 121 far 0 60 0 - 8.8-10.9 HA LYS 95 - H ASN 121 far 0 99 0 - 9.8-11.7 Violated in 13 structures by 0.13 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 2.3-2.6 4.1=100 H LEU 103 - H ASN 121 far 0 100 0 - 7.9-10.2 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 3.4-3.6 3.6=100 HA THR 115 - H ASN 121 far 0 73 0 - 8.8-11.5 HA THR 54 - H ASN 121 far 0 100 0 - 9.2-13.5 HA HIS 5 - H ASN 121 far 0 93 0 - 9.9-69.7 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 2.1-3.6 3.8=83, 1.8/7700=81...(10) HB3 ASN 120 + H ASN 121 OK 97 100 100 97 2.8-4.2 4.4=52, ~11626=33...(19) * HB2 ASN 120 + H ASN 121 OK 93 100 100 93 2.8-3.7 11626/2.9=55, 4.4=52...(12) 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 2.1-3.6 3.8=83, 1.8/7700=81...(10) * HB3 ASN 120 + H ASN 121 OK 97 100 100 97 2.8-4.2 4.4=52, ~11626=33...(19) HB2 ASN 120 + H ASN 121 OK 93 100 100 93 2.8-3.7 11626/2.9=55, 4.4=52...(12) 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 2.3-6.4 3809/3.6=93, 7677/4.1=84...(10) Violated in 15 structures by 0.07 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 3.0-6.0 1.7/7696=95, 7683/4.1=87...(9) 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 2.8-2.9 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 2.1-3.6 3.8=83, 1.8/7700=81...(10) HB3 ASN 120 + H ASN 121 OK 96 100 100 96 2.8-4.2 4.4=52, ~11626=33...(18) HB2 ASN 120 + H ASN 121 OK 93 100 100 93 2.8-3.7 11626/2.9=55, 4.4=52...(12) 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 2.1-3.1 3.8=63, 3735/7689=31...(11) 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 3.6-4.8 5.6=100 Violated in 0 structures by 0.00 A. Peak 7702 from nnoeabs.peaks (7.78, 8.12, 119.98 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 121 + H ASN 121 OK 100 100 100 100 2.6-5.3 3.5/7700=76, 7712=71...(12) H VAL 118 + H ASN 121 OK 70 71 100 99 4.4-5.0 2.8/7689=72...(15) HD22 ASN 59 - H ASN 121 far 0 92 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 7703 from nnoeabs.peaks (8.18, 8.12, 119.98 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + H ASN 121 OK 100 100 100 100 2.6-3.0 4.0=100 H GLN 127 - H ASN 121 far 0 93 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 7704 from nnoeabs.peaks (8.26, 8.12, 119.98 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.82: * H LEU 123 + H ASN 121 OK 82 100 100 82 3.6-4.3 7738/3.6=50, 7740/2.9=20...(12) H LEU 96 - H ASN 121 far 0 92 0 - 9.6-11.2 H SER 107 - H ASN 121 far 0 71 0 - 9.9-14.7 Violated in 6 structures by 0.04 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 5 assignments used, quality = 1.00: * H ASN 121 + HD21 ASN 121 OK 100 100 100 100 3.6-4.8 7700/3.5=84, 7712/1.7=75...(11) H VAL 133 - HE21 GLN 134 far 0 49 0 - 6.9-8.5 H ASP 71 - HE21 GLN 68 far 0 42 0 - 7.3-8.8 H ILE 32 - HE21 GLN 68 far 0 38 0 - 8.9-20.6 H THR 25 - HE21 GLN 68 far 0 40 0 - 9.7-32.8 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 4.0-4.8 4.5=100 HA ASP 64 - HE21 GLN 68 poor 19 25 75 - 4.5-7.9 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 2.2-4.0 3.5=100 HB2 ASN 120 - HD21 ASN 121 far 5 100 5 - 4.3-6.9 HB2 ASP 131 - HE21 GLN 134 far 0 43 0 - 4.9-7.8 HB3 ASN 120 - HD21 ASN 121 far 0 100 0 - 5.0-7.8 HB3 ASP 64 - HE21 GLN 68 far 0 52 0 - 5.5-9.4 HB3 ASP 71 - HE21 GLN 68 far 0 43 0 - 6.4-9.6 Violated in 2 structures by 0.02 A. Peak 7709 from nnoeabs.peaks (2.98, 6.88, 112.45 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 121 + HD21 ASN 121 OK 100 100 100 100 2.3-3.5 3.5=100 HE3 LYS 36 - HE21 GLN 68 far 0 45 0 - 5.9-12.1 HE3 LYS 26 - HE21 GLN 68 far 0 50 0 - 6.0-34.5 HE2 LYS 36 - HE21 GLN 68 far 0 41 0 - 6.6-11.5 HE2 LYS 26 - HE21 GLN 68 far 0 50 0 - 7.2-34.5 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 - 4.3-5.9 HD22 ASN 59 - HD21 ASN 121 far 0 92 0 - 9.4-14.1 Violated in 0 structures by 0.00 A. Peak 7711 from nnoeabs.peaks (7.78, 7.78, 112.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HD22 ASN 121 OK 100 100 - 100 Peak 7712 from nnoeabs.peaks (8.12, 7.78, 112.45 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HD22 ASN 121 OK 100 100 100 100 2.6-5.3 7700/3.5=88, 7706/1.7=85...(13) Violated in 1 structures by 0.02 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 4.1-4.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 7714 from nnoeabs.peaks (2.80, 7.78, 112.45 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HD22 ASN 121 OK 100 100 100 100 2.7-3.8 3.5=100 HB2 ASN 120 - HD22 ASN 121 far 5 100 5 - 4.1-7.6 HB3 ASN 120 - HD22 ASN 121 far 0 100 0 - 5.1-8.8 Violated in 4 structures by 0.00 A. Peak 7715 from nnoeabs.peaks (2.98, 7.78, 112.45 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HD22 ASN 121 OK 100 100 100 100 2.1-3.8 3.5=100 Violated in 1 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 3.1-4.1 3.2/11748=83...(31) HB2 SER 50 - H LEU 122 far 0 78 0 - 9.3-11.8 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 100 100 100 100 3.7-4.5 3762=64, 3764/3.5=60...(18) HB3 SER 99 + H LEU 122 OK 81 83 100 97 2.5-5.0 3214/2.9=29, ~3208=27...(21) HA LEU 122 + H LEU 122 OK 73 73 100 100 2.8-2.8 2.9=100 HA LEU 96 + H LEU 122 OK 50 90 60 93 4.7-6.1 10397/11749=21, 3855=20...(33) HB3 SER 124 - H LEU 122 far 0 100 0 - 5.6-7.0 HA LEU 103 - H LEU 122 far 0 98 0 - 7.6-9.8 HA SER 50 - H LEU 122 far 0 60 0 - 7.8-10.3 HA LYS 95 - H LEU 122 far 0 99 0 - 8.2-9.8 HA GLU 102 - H LEU 122 far 0 71 0 - 9.5-11.6 HA ALA 92 - H LEU 122 far 0 78 0 - 9.5-11.5 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 4.0-4.7 7675=100, 3.6/3762=81...(15) H LEU 103 - H LEU 122 far 5 100 5 - 6.9-8.7 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 3 assignments used, quality = 1.00: * HA ASN 120 + H LEU 122 OK 100 100 100 100 4.5-5.1 7738/3.3=99, 2.9/7675=98...(8) HA THR 54 - H LEU 122 far 0 100 0 - 9.8-14.8 HA HIS 5 - H LEU 122 far 0 93 0 - 9.9-67.7 Violated in 0 structures by 0.00 A. Peak 7722 from nnoeabs.peaks (8.12, 8.18, 122.62 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H LEU 122 OK 100 100 100 100 2.6-3.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 7723 from nnoeabs.peaks (4.49, 8.18, 122.62 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + H LEU 122 OK 100 100 100 100 3.5-3.6 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 = 0.99: * HB2 ASN 121 + H LEU 122 OK 99 100 100 99 2.6-3.7 4.3=79, 1.8/7725=70...(15) HB2 ASN 120 - H LEU 122 far 0 100 0 - 5.3-6.0 HB3 ASN 120 - H LEU 122 far 0 100 0 - 5.4-6.5 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 2.2-2.7 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 1 assignment used, quality = 1.00: * HD21 ASN 121 + H LEU 122 OK 100 100 100 100 4.5-6.1 3.5/7724=99, 3.5/7725=98...(8) 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 4.0-6.0 3.5/7724=99, 3.5/7725=98...(11) H VAL 118 + H LEU 122 OK 71 71 100 100 5.5-6.2 3.9/11748=94...(11) HD22 ASN 59 - H LEU 122 far 0 92 0 - 8.7-11.6 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 97 3.7-4.5 3.6/7675=46, 3762=35...(16) HA LEU 96 + H LEU 122 OK 41 99 45 93 4.7-6.1 3855=29, 11689/11749=22...(33) HB3 SER 124 - H LEU 122 far 0 83 0 - 5.6-7.0 HB THR 65 - H LEU 122 far 0 90 0 - 9.2-11.2 HA GLU 102 - H LEU 122 far 0 100 0 - 9.5-11.6 HA ALA 92 - H LEU 122 far 0 100 0 - 9.5-11.5 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 2.3-3.6 3.5=100 HG LEU 122 + H LEU 122 OK 100 100 100 100 1.8-4.6 4.6=100 HG LEU 119 - H LEU 122 far 0 95 0 - 6.2-7.9 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 2.1-2.8 3.5=100 HB3 LEU 123 - H LEU 122 far 0 39 0 - 4.6-5.8 HG LEU 100 - H LEU 122 far 0 89 0 - 4.6-8.3 HB2 LEU 100 - H LEU 122 far 0 63 0 - 5.2-8.7 HB3 LEU 98 - H LEU 122 far 0 98 0 - 6.6-10.4 HB3 LEU 103 - H LEU 122 far 0 100 0 - 6.7-9.0 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 1.8-4.6 4.6=100 HB2 LEU 122 + H LEU 122 OK 100 100 100 100 2.3-3.6 3.5=100 HB2 LEU 103 - H LEU 122 far 0 65 0 - 5.7-7.6 HG LEU 119 - H LEU 122 far 0 89 0 - 6.2-7.9 Violated in 0 structures by 0.00 A. Peak 7732 from nnoeabs.peaks (0.81, 8.18, 122.62 ppm; 4.03 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 122 + H LEU 122 OK 100 100 100 100 1.7-4.3 4.3=82, 3899/3.3=53...(38) QD2 LEU 122 + H LEU 122 OK 82 83 100 100 2.4-4.4 5.1=51, ~3899=31...(40) QD1 LEU 53 - H LEU 122 poor 18 95 25 78 3.9-8.1 ~11818=26, 2.1/11749=25...(14) QD1 LEU 103 - H LEU 122 far 7 71 10 - 4.3-7.7 QD2 LEU 119 - H LEU 122 far 5 99 5 - 4.9-7.0 QD2 LEU 49 - H LEU 122 far 5 97 5 - 4.8-8.0 QD1 LEU 70 - H LEU 122 far 0 96 0 - 8.4-11.0 QG1 VAL 63 - H LEU 122 far 0 73 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 7733 from nnoeabs.peaks (0.79, 8.18, 122.62 ppm; 4.18 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 122 + H LEU 122 OK 100 100 100 100 2.4-4.4 5.1=57, 3901/2.9=38...(39) QD1 LEU 122 + H LEU 122 OK 83 83 100 100 1.7-4.3 4.3=92, 3899/3.3=42...(38) QD1 LEU 96 + H LEU 122 OK 29 92 35 92 4.7-6.6 3100/2.9=26, 4.0/3855=15...(29) QD1 LEU 53 + H LEU 122 OK 25 99 30 84 3.9-8.1 3907/3.3=32, ~11818=28...(15) QD1 LEU 103 - H LEU 122 far 15 100 15 - 4.3-7.7 QD2 LEU 49 - H LEU 122 far 5 97 5 - 4.8-8.0 QD2 LEU 119 - H LEU 122 far 5 93 5 - 4.9-7.0 QG1 VAL 63 - H LEU 122 far 0 100 0 - 8.9-10.2 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 3 assignments used, quality = 1.00: * H LEU 123 + H LEU 122 OK 100 100 100 100 2.5-2.9 3.3=100 H LEU 96 - H LEU 122 far 0 92 0 - 7.4-8.8 H SER 107 - H LEU 122 far 0 71 0 - 9.9-13.8 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...(20) HD22 ASN 116 - H LEU 122 poor 10 60 60 28 5.9-10.5 11535/11748=18...(3) 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 12 assignments used, quality = 1.00: * HA LEU 119 + H LEU 123 OK 100 100 100 100 3.8-5.0 3764/4.3=63, 3762/3.3=62...(13) HB3 SER 124 + H LEU 123 OK 99 100 100 99 4.8-5.6 7770/7761=78...(7) HA LEU 122 + H LEU 123 OK 73 73 100 100 3.5-3.6 3.6=100 HB3 SER 99 + H LEU 123 OK 40 83 55 87 4.9-7.4 3214/3.6=32...(10) HA LEU 96 - H LEU 123 poor 18 90 30 68 5.6-7.0 3855/3.3=20, 3868/4.3=19...(9) HA SER 50 - H LEU 123 far 3 60 5 - 5.3-7.7 HA ARG 135 - H ASP 131 far 0 84 0 - 6.8-8.6 HA ALA 92 - H ASP 131 far 0 62 0 - 9.1-10.1 HA LEU 103 - H LEU 123 far 0 98 0 - 9.2-12.1 HA LYS 95 - H LEU 123 far 0 99 0 - 9.7-11.5 HA ALA 92 - H LEU 123 far 0 78 0 - 9.7-11.7 HA GLU 44 - H ASP 131 far 0 60 0 - 9.8-11.5 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 3 assignments used, quality = 1.00: * HA ASN 120 + H LEU 123 OK 100 100 100 100 3.2-4.0 11560=91, 3.6/7704=55...(17) HA SER 33 - H GLU 30 far 0 62 0 - 7.5-10.1 HA THR 54 - H LEU 123 far 0 100 0 - 7.9-12.7 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 3.6-4.3 7704=100, 3.6/7738=99...(12) H ILE 32 + H GLU 30 OK 83 84 100 99 3.3-4.9 10830/6319=74...(12) H VAL 133 + H ASP 131 OK 58 58 100 100 3.8-4.8 4.4/11651=72...(14) H THR 25 - H GLU 30 far 13 86 15 - 6.8-13.3 H LEU 22 - H GLU 30 far 0 64 0 - 9.4-17.9 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 3 assignments used, quality = 1.00: * HA ASN 121 + H LEU 123 OK 100 100 100 100 4.1-4.8 2.9/7704=100...(15) HB THR 54 - H LEU 123 far 0 73 0 - 9.4-14.2 HA ASP 64 - H GLU 30 far 0 59 0 - 9.9-25.1 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 2.5-2.9 3.3=100 H GLN 127 + H LEU 123 OK 80 93 100 85 5.6-6.3 7805/7776=44...(10) H GLN 127 - H ASP 131 poor 19 77 30 83 6.3-7.1 2.9/7894=45...(7) H VAL 63 - H LEU 123 far 0 87 0 - 9.8-11.2 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 8 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 68 73 100 93 3.8-5.0 4.9/7738=45, 3764/4.3=32...(13) HB3 SER 124 + H LEU 123 OK 64 83 85 92 4.8-5.6 4.0/7761=61, 4.5/7776=42...(6) HA LEU 96 - H LEU 123 far 0 99 0 - 5.6-7.0 HB THR 65 - H LEU 123 far 0 90 0 - 8.5-10.5 HA ALA 92 - H ASP 131 far 0 87 0 - 9.1-10.1 HA ALA 92 - H LEU 123 far 0 100 0 - 9.7-11.7 HA GLU 44 - H ASP 131 far 0 87 0 - 9.8-11.5 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 2.3-4.2 4.3=100 HG LEU 122 + H LEU 123 OK 100 100 100 100 2.3-5.2 2.1/3899=91, 3.0/7744=62...(18) HG3 ARG 23 - H GLU 30 far 9 88 10 - 5.8-18.6 HG LEU 22 - H GLU 30 far 0 98 0 - 6.8-20.7 HG LEU 119 - H LEU 123 far 0 95 0 - 6.8-7.5 HB3 LEU 22 - H GLU 30 far 0 98 0 - 8.0-19.6 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 15 assignments used, quality = 0.98: * HB3 LEU 122 + H LEU 123 OK 96 100 100 96 2.6-4.1 4.3=65, 3.1/3899=47...(20) HB3 LEU 123 + H LEU 123 OK 39 39 100 100 2.2-3.0 3.9=89, 3.2/3952=52...(14) HB ILE 32 - H GLU 30 poor 18 72 25 - 4.4-6.3 HB3 LYS 31 - H GLU 30 far 9 86 10 - 4.4-6.4 HB3 LYS 26 - H GLU 30 far 3 70 5 - 4.0-11.5 HG LEU 100 - H LEU 123 far 0 89 0 - 5.5-9.0 HB3 ARG 23 - H GLU 30 far 0 59 0 - 5.5-16.4 HB3 LYS 19 - H GLU 30 far 0 86 0 - 5.8-17.3 HB2 LEU 100 - H LEU 123 far 0 63 0 - 6.3-10.3 HB3 ARG 135 - H ASP 131 far 0 58 0 - 7.3-9.3 HB3 LYS 24 - H GLU 30 far 0 82 0 - 8.0-16.6 HB3 LEU 103 - H LEU 123 far 0 100 0 - 8.4-11.0 HB3 LEU 98 - H LEU 123 far 0 98 0 - 8.7-12.6 HB2 LYS 36 - H GLU 30 far 0 75 0 - 8.7-12.1 HB2 LEU 48 - H LEU 123 far 0 95 0 - 10.0-14.2 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: * HG LEU 122 + H LEU 123 OK 100 100 100 100 2.3-5.2 2.1/3899=90, 3.0/7744=62...(18) HB2 LEU 122 + H LEU 123 OK 100 100 100 100 2.3-4.2 4.3=100 HG3 ARG 23 - H GLU 30 far 4 80 5 - 5.8-18.6 HG2 ARG 23 - H GLU 30 far 0 59 0 - 6.7-18.2 HG LEU 22 - H GLU 30 far 0 95 0 - 6.8-20.7 HG LEU 119 - H LEU 123 far 0 89 0 - 6.8-7.5 HB2 LEU 103 - H LEU 123 far 0 65 0 - 7.2-9.8 HB3 LEU 22 - H GLU 30 far 0 95 0 - 8.0-19.6 Violated in 0 structures by 0.00 A. Peak 7746 from nnoeabs.peaks (0.81, 8.26, 119.72 ppm; 4.17 A): 5 out of 18 assignments used, quality = 1.00: * QD1 LEU 122 + H LEU 123 OK 100 100 100 100 1.9-4.8 3899=95, 3.1/7744=47...(25) QD2 LEU 122 + H LEU 123 OK 82 83 100 99 2.8-4.8 2.1/3899=70, 3.1/7744=47...(20) QD1 LEU 53 + H LEU 123 OK 75 95 80 99 2.2-5.9 11422/3944=53...(19) QG2 ILE 129 + H ASP 131 OK 66 75 90 98 4.4-5.3 4.2/7891=48...(18) QG1 VAL 133 + H ASP 131 OK 21 44 50 97 3.8-6.6 4.0/7925=42, ~10564=32...(19) QD2 LEU 49 - H LEU 123 poor 17 97 25 71 4.2-7.2 9206/2.9=21, ~9209=9...(21) QD2 LEU 119 - H LEU 123 far 0 99 0 - 5.1-7.0 QD1 LEU 103 - H LEU 123 far 0 71 0 - 5.2-8.7 QD2 LEU 49 - H ASP 131 far 0 82 0 - 8.1-11.2 QG2 ILE 80 - H ASP 131 far 0 85 0 - 9.0-10.6 QD1 LEU 53 - H ASP 131 far 0 78 0 - 9.0-11.8 QD1 LEU 70 - H LEU 123 far 0 96 0 - 9.3-12.1 HG13 ILE 80 - H ASP 131 far 0 72 0 - 9.4-11.3 QD2 LEU 122 - H ASP 131 far 0 66 0 - 9.4-13.1 QG1 VAL 63 - H LEU 123 far 0 73 0 - 9.6-11.3 QD1 ILE 37 - H GLU 30 far 0 62 0 - 9.6-11.1 QD1 LEU 122 - H ASP 131 far 0 87 0 - 9.9-13.2 QG2 ILE 129 - H LEU 123 far 0 92 0 - 9.9-10.9 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 16 assignments used, quality = 1.00: * QD2 LEU 122 + H LEU 123 OK 99 100 100 99 2.8-4.8 2.1/3899=71, 3907=51...(19) QD1 ILE 32 + H GLU 30 OK 93 97 100 96 3.5-4.9 11488/3.7=68...(13) QD1 LEU 122 + H LEU 123 OK 82 83 100 100 1.9-4.8 3899=72, 3.1/7744=47...(25) QD1 LEU 53 + H LEU 123 OK 79 99 80 99 2.2-5.9 11422/3944=55, 3907=49...(21) QD2 LEU 49 + H LEU 123 OK 24 97 35 72 4.2-7.2 9206/2.9=21, ~9209=9...(21) QD1 LEU 96 - H LEU 123 poor 18 92 20 - 4.6-6.4 QD2 LEU 119 - H LEU 123 far 5 93 5 - 5.1-7.0 QD1 LEU 103 - H LEU 123 far 0 100 0 - 5.2-8.7 QD2 LEU 49 - H ASP 131 far 0 82 0 - 8.1-11.2 QD1 LEU 96 - H ASP 131 far 0 75 0 - 8.8-9.8 QG2 ILE 80 - H ASP 131 far 0 51 0 - 9.0-10.6 QD1 LEU 53 - H ASP 131 far 0 85 0 - 9.0-11.8 QD2 LEU 122 - H ASP 131 far 0 87 0 - 9.4-13.1 QG1 VAL 63 - H LEU 123 far 0 100 0 - 9.6-11.3 QD1 ILE 37 - H GLU 30 far 0 98 0 - 9.6-11.1 QD1 LEU 122 - H ASP 131 far 0 66 0 - 9.9-13.2 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 8 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 3.2-4.3 4.6=56, 3.9/7891=44...(9) HB2 SER 50 - H LEU 123 far 0 97 0 - 6.7-9.2 HA LEU 62 - H LEU 123 far 0 100 0 - 8.0-9.2 HB2 SER 50 - H ASP 131 far 0 82 0 - 8.5-10.7 HB3 SER 33 - H GLU 30 far 0 99 0 - 8.7-11.6 HD2 PRO 81 - H ASP 131 far 0 86 0 - 9.8-13.4 HA LEU 123 - H ASP 131 far 0 87 0 - 10.0-10.6 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 18 assignments used, quality = 1.00: * HB2 LEU 123 + H LEU 123 OK 100 100 100 100 2.1-2.9 3.9=100 HD2 LYS 26 - H GLU 30 far 10 97 10 - 3.9-14.2 HD3 LYS 26 - H GLU 30 far 5 98 5 - 4.4-13.0 HD3 LYS 31 - H GLU 30 far 0 97 0 - 5.5-8.6 HD2 LYS 19 - H GLU 30 far 0 100 0 - 5.7-19.1 HG3 ARG 23 - H GLU 30 far 0 72 0 - 5.8-18.6 HD2 LYS 31 - H GLU 30 far 0 96 0 - 5.9-8.9 HG LEU 43 - H ASP 131 far 0 85 0 - 6.5-8.0 QB ALA 88 - H ASP 131 far 0 81 0 - 6.8-7.5 HG LEU 119 - H LEU 123 far 0 63 0 - 6.8-7.5 HD3 LYS 19 - H GLU 30 far 0 100 0 - 7.3-20.4 HG LEU 62 - H LEU 123 far 0 100 0 - 7.9-9.5 HD2 LYS 36 - H GLU 30 far 0 82 0 - 8.5-12.7 HD3 LYS 24 - H GLU 30 far 0 97 0 - 8.7-17.5 HB2 LEU 98 - H LEU 123 far 0 100 0 - 8.8-13.2 HD2 LYS 39 - H ASP 131 far 0 49 0 - 8.9-11.2 HB2 LEU 69 - H ASP 131 far 0 68 0 - 9.0-12.0 HB2 LEU 69 - H LEU 123 far 0 85 0 - 9.2-11.9 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 4 assignments used, quality = 0.98: * HB3 LEU 123 + H LEU 123 OK 98 98 100 100 2.2-3.0 3.9=91, 3.2/3952=53...(16) HB3 LEU 119 - H LEU 123 far 0 100 0 - 5.1-6.7 HB2 ARG 135 - H ASP 131 far 0 53 0 - 5.8-8.9 HB3 LYS 36 - H GLU 30 far 0 98 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 7752 from nnoeabs.peaks (0.88, 8.26, 119.72 ppm; 4.25 A): 2 out of 17 assignments used, quality = 1.00: * QD2 LEU 123 + H LEU 123 OK 100 100 100 100 3.5-4.2 3944=100, 2.1/3952=80...(17) QG1 VAL 118 + H LEU 123 OK 36 92 45 87 4.4-5.8 11748/3.3=49, ~7718=21...(12) QD1 LEU 49 - H LEU 123 poor 19 63 30 - 4.2-7.6 QG2 VAL 20 - H GLU 30 far 5 98 5 - 4.7-15.9 QD1 LEU 22 - H GLU 30 far 5 97 5 - 3.9-17.7 QD1 LEU 62 - H LEU 123 far 3 60 5 - 4.8-7.5 QG1 VAL 20 - H GLU 30 far 0 75 0 - 6.3-16.3 QD2 LEU 69 - H ASP 131 far 0 75 0 - 6.8-9.9 QD2 LEU 69 - H LEU 123 far 0 92 0 - 6.8-8.8 QD1 LEU 49 - H ASP 131 far 0 49 0 - 7.0-10.9 QD2 LEU 70 - H LEU 123 far 0 63 0 - 7.8-9.7 QD2 LEU 123 - H ASP 131 far 0 87 0 - 7.9-10.9 QG2 VAL 57 - H LEU 123 far 0 78 0 - 8.3-9.5 QG2 VAL 63 - H LEU 123 far 0 68 0 - 8.3-10.0 QD1 LEU 98 - H LEU 123 far 0 78 0 - 8.4-12.0 QD2 LEU 98 - H LEU 123 far 0 99 0 - 8.6-10.9 QD2 LEU 48 - H LEU 123 far 0 73 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7753 from nnoeabs.peaks (0.93, 8.26, 119.72 ppm; 4.34 A): 2 out of 14 assignments used, quality = 1.00: * QD1 LEU 123 + H LEU 123 OK 100 100 100 100 4.1-4.3 3952=100, 2.1/3944=79...(13) QG1 VAL 118 + H LEU 123 OK 28 63 60 73 4.4-5.8 10322/7704=29, ~7718=22...(12) QD1 LEU 49 - H LEU 123 poor 19 92 30 68 4.2-7.6 ~9206=15, 9209/2.9=14...(16) QD1 LEU 62 - H LEU 123 far 14 93 15 - 4.8-7.5 QG1 VAL 126 - H ASP 131 far 0 46 0 - 5.7-6.5 QG1 VAL 126 - H LEU 123 far 0 60 0 - 5.8-6.6 QG1 VAL 20 - H GLU 30 far 0 82 0 - 6.3-16.3 QD1 LEU 119 - H LEU 123 far 0 93 0 - 6.4-7.5 QD1 LEU 49 - H ASP 131 far 0 75 0 - 7.0-10.9 QD1 LEU 123 - H ASP 131 far 0 87 0 - 7.9-9.4 QG2 VAL 63 - H LEU 123 far 0 89 0 - 8.3-10.0 QD1 LEU 48 - H GLU 30 far 0 99 0 - 8.8-22.2 QD2 LEU 48 - H LEU 123 far 0 85 0 - 9.5-11.4 QD1 LEU 48 - H LEU 123 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 7754 from nnoeabs.peaks (7.95, 8.26, 119.72 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * H SER 124 + H LEU 123 OK 100 100 100 100 2.8-3.1 4.2=100 HD22 ASN 116 - H LEU 123 far 0 60 0 - 7.6-12.2 H THR 18 - H GLU 30 far 0 64 0 - 9.9-22.7 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 6 assignments used, quality = 1.00: * H CYS 125 + H LEU 123 OK 100 100 100 100 3.7-4.2 7776=100, 3.4/7761=92...(19) H SER 130 + H ASP 131 OK 84 84 100 100 2.6-2.8 4.5=100 H ALA 52 - H LEU 123 far 0 92 0 - 7.6-10.3 H VAL 20 - H GLU 30 far 0 82 0 - 9.0-18.5 H CYS 125 - H ASP 131 far 0 87 0 - 9.4-9.9 H LEU 48 - H ASP 131 far 0 87 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 7756 from nnoeabs.peaks (7.95, 7.95, 113.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H SER 124 OK 100 100 - 100 Peak 7757 from nnoeabs.peaks (4.42, 7.95, 113.43 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + H SER 124 OK 100 100 100 100 3.7-4.8 7738/7761=77...(12) HA THR 54 - H SER 124 far 0 100 0 - 8.4-12.5 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 3.7-4.4 3836=98, 3968/7769=66...(12) HB THR 54 - H SER 124 far 0 73 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 7759 from nnoeabs.peaks (8.18, 7.95, 113.43 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 122 + H SER 124 OK 100 100 100 100 4.5-4.9 3.3/7761=77, 3.6/7758=63...(20) H GLN 127 + H SER 124 OK 92 93 100 98 4.6-5.0 3965/2.9=67, 3.5/7772=66...(15) Violated in 0 structures by 0.00 A. Peak 7760 from nnoeabs.peaks (4.05, 7.95, 113.43 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.98: * HA LEU 122 + H SER 124 OK 90 100 95 94 4.5-5.1 3.6/7761=61, 4.9/7758=38...(14) HB3 SER 124 + H SER 124 OK 83 83 100 100 2.1-2.9 4.0=100 HA LEU 119 - H SER 124 far 0 73 0 - 6.3-7.6 HA LEU 96 - H SER 124 far 0 99 0 - 6.5-7.9 HA ALA 92 - H SER 124 far 0 100 0 - 8.8-10.6 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 2.8-3.1 4.2=74, 7750/7764=48...(18) H LEU 96 - H SER 124 far 0 92 0 - 8.5-9.8 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 2 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 - 6.5-8.8 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 5 assignments used, quality = 1.00: * HB2 LEU 123 + H SER 124 OK 100 100 100 100 2.0-2.7 1.8/7764=80, 3926=76...(21) HG LEU 119 - H SER 124 far 0 63 0 - 8.9-9.8 HD2 LYS 95 - H SER 124 far 0 100 0 - 9.3-13.3 HB2 LEU 98 - H SER 124 far 0 100 0 - 9.7-14.1 HD3 LYS 95 - H SER 124 far 0 98 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 7764 from nnoeabs.peaks (1.88, 7.95, 113.43 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.98: * HB3 LEU 123 + H SER 124 OK 98 98 100 100 3.3-3.9 1.8/7763=68, 4.6=53...(18) HB3 LEU 119 - H SER 124 far 0 100 0 - 7.3-8.6 Violated in 8 structures by 0.05 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 2.4-4.7 3.0/7764=68, 2.1/7767=68...(21) HG LEU 49 - H SER 124 far 0 100 0 - 7.2-10.9 HB2 LEU 119 - H SER 124 far 0 78 0 - 7.5-8.7 Violated in 13 structures by 0.17 A. Peak 7766 from nnoeabs.peaks (0.88, 7.95, 113.43 ppm; 4.53 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 123 + H SER 124 OK 100 100 100 100 3.7-4.7 2.1/7765=81, 2.1/7767=78...(21) QD1 LEU 49 - H SER 124 far 6 63 10 - 5.2-8.9 QG1 VAL 118 - H SER 124 far 0 92 0 - 6.5-7.8 QD1 LEU 62 - H SER 124 far 0 60 0 - 7.1-9.7 QD2 LEU 69 - H SER 124 far 0 92 0 - 8.0-9.9 QD2 LEU 98 - H SER 124 far 0 99 0 - 8.9-11.3 QD1 LEU 98 - H SER 124 far 0 78 0 - 9.2-12.6 QD2 LEU 70 - H SER 124 far 0 63 0 - 9.3-10.9 QG2 VAL 57 - H SER 124 far 0 78 0 - 9.9-11.3 Violated in 2 structures by 0.01 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 2.5-3.7 3959=84, 2.1/7765=77...(22) QD1 LEU 49 - H SER 124 far 5 92 5 - 5.2-8.9 QG1 VAL 126 - H SER 124 far 0 60 0 - 6.2-6.8 QG1 VAL 118 - H SER 124 far 0 63 0 - 6.5-7.8 QD1 LEU 62 - H SER 124 far 0 93 0 - 7.1-9.7 QD1 LEU 119 - H SER 124 far 0 93 0 - 8.1-9.2 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 2 assignments used, quality = 1.00: * HA SER 124 + H SER 124 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 99 - H SER 124 far 0 76 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 7769 from nnoeabs.peaks (4.00, 7.95, 113.43 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.98: * HB2 SER 124 + H SER 124 OK 98 100 100 98 2.6-3.6 4.0=72, 1.8/3975=70...(9) HA SER 50 - H SER 124 far 0 100 0 - 5.9-7.6 HB3 SER 99 - H SER 124 far 0 97 0 - 6.8-8.5 HA GLN 127 - H SER 124 far 0 68 0 - 6.9-7.5 HA LYS 95 - H SER 124 far 0 73 0 - 9.9-11.8 Violated in 1 structures by 0.00 A. Peak 7770 from nnoeabs.peaks (4.03, 7.95, 113.43 ppm; 3.58 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + H SER 124 OK 100 100 100 100 2.1-2.9 3975=95, 3979/3.4=42...(12) HA LEU 122 - H SER 124 far 4 83 5 - 4.5-5.1 HA LEU 119 - H SER 124 far 0 100 0 - 6.3-7.6 HA LEU 96 - H SER 124 far 0 96 0 - 6.5-7.9 HB3 SER 99 - H SER 124 far 0 73 0 - 6.8-8.5 HA ALA 92 - H SER 124 far 0 87 0 - 8.8-10.6 HA LYS 95 - H SER 124 far 0 97 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 7771 from nnoeabs.peaks (8.04, 7.95, 113.43 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 125 + H SER 124 OK 100 100 100 100 2.5-2.8 3.4=100 H ALA 52 - H SER 124 far 0 92 0 - 9.3-11.5 H SER 130 - H SER 124 far 0 99 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 7772 from nnoeabs.peaks (8.29, 7.95, 113.43 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: * H VAL 126 + H SER 124 OK 99 100 100 99 4.3-4.6 7790=85, 7792/3.4=70...(15) H LEU 96 - H SER 124 far 0 90 0 - 8.5-9.8 H SER 99 - H SER 124 far 0 100 0 - 8.8-10.4 H LEU 49 - H SER 124 far 0 96 0 - 9.3-11.7 Violated in 20 structures by 0.22 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 3.8-5.1 7758/3.4=98...(8) Violated in 0 structures by 0.00 A. Peak 7775 from nnoeabs.peaks (4.05, 8.04, 119.83 ppm; 4.38 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 122 + H CYS 125 OK 100 100 100 100 3.1-3.8 3.6/7776=50, 3863=39...(21) HB3 SER 124 + H CYS 125 OK 83 83 100 100 3.5-4.1 4.5=91, 3975/3.4=52...(10) HA LEU 96 + H CYS 125 OK 76 99 80 96 4.4-5.7 11689/11603=52, 3863=30...(18) HA ALA 92 - H CYS 125 far 0 100 0 - 6.1-8.0 HA LEU 119 - H CYS 125 far 0 73 0 - 7.8-8.6 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 = 1.00: * H LEU 123 + H CYS 125 OK 100 100 100 100 3.7-4.2 7761/3.4=78, 7898=42...(19) H LEU 96 - H CYS 125 far 0 92 0 - 6.0-7.3 H ASP 131 - H CYS 125 far 0 97 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7778 from nnoeabs.peaks (7.95, 8.04, 119.83 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H CYS 125 OK 100 100 100 100 2.5-2.8 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 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 7780 from nnoeabs.peaks (4.00, 8.04, 119.83 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 124 + H CYS 125 OK 100 100 100 100 2.6-3.6 4.5=79, 1.8/3979=78...(8) HB3 SER 99 - H CYS 125 far 0 97 0 - 6.2-7.7 HA GLN 127 - H CYS 125 far 0 68 0 - 6.5-6.9 HA SER 50 - H CYS 125 far 0 100 0 - 7.6-8.9 HA LYS 95 - H CYS 125 far 0 73 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 7781 from nnoeabs.peaks (4.03, 8.04, 119.83 ppm; 4.10 A): 3 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + H CYS 125 OK 100 100 100 100 3.5-4.1 3979=98, 7770/3.4=63...(10) HA LEU 122 + H CYS 125 OK 82 83 100 99 3.1-3.8 10397/11603=45...(19) HA LEU 96 + H CYS 125 OK 57 96 65 92 4.4-5.7 10397/11603=38...(18) HA ALA 92 - H CYS 125 far 0 87 0 - 6.1-8.0 HB3 SER 99 - H CYS 125 far 0 73 0 - 6.2-7.7 HA LYS 95 - H CYS 125 far 0 97 0 - 7.7-9.4 HA LEU 119 - H CYS 125 far 0 100 0 - 7.8-8.6 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 3 assignments used, quality = 1.00: * HA CYS 125 + H CYS 125 OK 100 100 100 100 2.8-2.9 2.9=100 HA PRO 117 - H CYS 125 far 0 96 0 - 9.8-11.3 HA ASP 47 - H CYS 125 far 0 96 0 - 10.0-11.9 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 2.2-3.6 3.9=86, 1.8/7784=71...(14) Violated in 0 structures by 0.00 A. Peak 7784 from nnoeabs.peaks (3.21, 8.04, 119.83 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + H CYS 125 OK 100 100 100 100 2.2-3.6 3.9=94, 1.8/7783=78...(13) 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 2.5-2.9 3.6=100 H LEU 96 - H CYS 125 far 0 90 0 - 6.0-7.3 H SER 99 - H CYS 125 far 0 100 0 - 7.2-8.7 H ASP 131 - H CYS 125 far 0 83 0 - 9.4-9.9 H LEU 49 - H CYS 125 far 0 96 0 - 9.7-11.8 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 3.7-4.2 3.5/7792=64, 7805=59...(17) H LEU 122 + H CYS 125 OK 85 93 95 96 4.7-5.1 3.3/7776=46, 2.9/3863=23...(16) 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 3.2-4.2 11604/4.0=68...(23) HA LEU 96 + H VAL 126 OK 99 99 100 100 4.2-5.4 11689/4021=88...(23) HB3 SER 124 + H VAL 126 OK 81 83 100 98 5.8-6.3 4.5/7792=80, 4.0/7772=77...(4) HA ALA 92 - H VAL 126 far 0 100 0 - 6.6-8.0 HA LEU 119 - H VAL 126 far 0 73 0 - 7.9-9.0 HB THR 65 - H VAL 126 far 0 90 0 - 9.2-10.8 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 3.3-4.3 3916=100, 10393/4.0=99...(17) HB2 SER 50 + H VAL 126 OK 23 97 40 60 6.4-9.0 7803/3.5=27...(6) HB2 SER 130 - H VAL 126 far 7 68 10 - 7.2-9.8 HA LEU 62 - H VAL 126 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 7790 from nnoeabs.peaks (7.95, 8.29, 121.89 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H VAL 126 OK 100 100 100 100 4.3-4.6 7772=100, 3.4/7792=76...(15) Violated in 11 structures by 0.03 A. Peak 7791 from nnoeabs.peaks (4.24, 8.29, 121.89 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 124 + H VAL 126 OK 100 100 100 100 4.6-5.0 3.6/7792=100...(7) HA SER 99 - H VAL 126 far 0 76 0 - 9.0-10.4 HA SER 94 - H VAL 126 far 0 99 0 - 9.8-10.8 HA HIS 67 - H VAL 126 far 0 76 0 - 9.8-11.9 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 2.5-2.9 3.6=85, 11603/4021=38...(18) H SER 130 - H VAL 126 far 0 99 0 - 6.3-6.9 H LEU 48 - H VAL 126 far 0 100 0 - 9.5-11.2 H ALA 52 - H VAL 126 far 0 92 0 - 9.7-11.6 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 3.5-3.6 3.6=100 HA ASP 47 - H VAL 126 far 0 96 0 - 8.2-9.8 HA LEU 69 - H VAL 126 far 0 73 0 - 8.8-10.8 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 2.4-3.6 4.7=100 HB2 CYS 73 - H VAL 126 far 0 96 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 7795 from nnoeabs.peaks (3.21, 8.29, 121.89 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + H VAL 126 OK 100 100 100 100 2.4-3.2 4.7=99, 7784/7792=71...(22) 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 2.8-2.9 2.9=100 HA ILE 129 - H VAL 126 far 0 63 0 - 7.0-8.0 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 2.2-2.6 3.7=91, 2.1/4021=75...(15) HB2 GLU 128 - H VAL 126 far 0 73 0 - 4.9-6.1 HG3 GLU 91 - H VAL 126 far 0 100 0 - 9.5-11.0 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 5 assignments used, quality = 1.00: * QG1 VAL 126 + H VAL 126 OK 100 100 100 100 3.6-3.8 2.1/4021=76, 4.0=75...(13) QG2 VAL 126 + H VAL 126 OK 99 99 100 100 2.1-2.8 4021=99, 2.1/7797=67...(21) QD1 LEU 123 - H VAL 126 poor 12 60 20 - 4.3-5.8 QD2 LEU 53 - H VAL 126 far 0 97 0 - 5.5-9.0 QD1 LEU 119 - H VAL 126 far 0 92 0 - 10.0-11.0 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 4 assignments used, quality = 1.00: * QG2 VAL 126 + H VAL 126 OK 100 100 100 100 2.1-2.8 4021=100, 2.1/7797=65...(21) QG1 VAL 126 + H VAL 126 OK 99 99 100 99 3.6-3.8 2.1/4021=74, 4.0=71...(13) QD2 LEU 53 - H VAL 126 far 0 100 0 - 5.5-9.0 QD1 LEU 119 - H VAL 126 far 0 78 0 - 10.0-11.0 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 2.4-2.8 3.5=100 H LEU 122 + H VAL 126 OK 91 93 100 97 5.5-6.2 3.5/10405=58...(13) 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 3.9-4.2 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 3.4-4.4 10393/4020=99...(15) HB2 SER 50 + H GLN 127 OK 94 97 100 96 4.9-7.3 11609/4059=46...(13) HB2 SER 130 + H GLN 127 OK 55 68 80 100 5.4-8.0 ~4181=95, ~4181=89...(8) 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 3.4-4.2 3965=100, 4049/7814=78...(11) HA SER 51 - H GLN 127 far 0 73 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 7805 from nnoeabs.peaks (8.04, 8.20, 119.68 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * H CYS 125 + H GLN 127 OK 100 100 100 100 3.7-4.2 7792/3.5=72, 3.6/3965=58...(17) H SER 130 + H GLN 127 OK 34 99 35 98 5.1-5.6 4036/2.9=65, 7879/3.2=53...(9) H LEU 48 - H GLN 127 far 0 100 0 - 8.7-10.5 H ALA 52 - H GLN 127 far 0 92 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 7807 from nnoeabs.peaks (8.29, 8.20, 119.68 ppm; 5.58 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 126 + H GLN 127 OK 100 100 100 100 2.4-2.8 3.5=100 H ASP 131 + H GLN 127 OK 22 83 30 89 6.3-7.1 7896/7820=49...(7) H LEU 49 - H GLN 127 far 0 96 0 - 7.2-9.5 H LEU 96 - H GLN 127 far 0 90 0 - 7.8-8.8 H LEU 69 - H GLN 127 far 0 99 0 - 9.9-11.3 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 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 7809 from nnoeabs.peaks (2.10, 8.20, 119.68 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 126 + H GLN 127 OK 100 100 100 100 2.5-3.0 4014=65, 2.1/4026=60...(17) HB2 GLU 128 + H GLN 127 OK 59 73 90 90 4.4-5.5 4.5/7820=31, ~4110=21...(14) HG3 GLU 91 - H GLN 127 far 0 100 0 - 9.9-11.4 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 2.7-3.5 4020=100, 10394/2.9=76...(20) QG2 VAL 126 + H GLN 127 OK 99 99 100 100 3.7-4.2 4026=99, 2.1/4020=73...(24) QD1 LEU 123 + H GLN 127 OK 52 60 100 87 3.2-4.8 10727/4059=29...(13) QD2 LEU 53 - H GLN 127 far 0 97 0 - 6.3-8.3 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 3.7-4.2 4026=100, 2.1/4020=78...(24) QG1 VAL 126 + H GLN 127 OK 99 99 100 100 2.7-3.5 4.3=100 QD2 LEU 53 - H GLN 127 far 0 100 0 - 6.3-8.3 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 3 assignments used, quality = 1.00: * HA GLN 127 + H GLN 127 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 SER 124 - H GLN 127 far 0 68 0 - 5.4-6.1 HA SER 50 - H GLN 127 far 0 65 0 - 5.5-7.0 Violated in 0 structures by 0.00 A. Peak 7813 from nnoeabs.peaks (2.06, 8.20, 119.68 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 127 + H GLN 127 OK 100 100 100 100 2.1-3.5 4040=90, 1.8/7814=79...(22) HB2 GLU 128 + H GLN 127 OK 61 73 90 92 4.4-5.5 4.5/7820=31, 7844/3.2=24...(15) 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 4 assignments used, quality = 1.00: * HB3 GLN 127 + H GLN 127 OK 100 100 100 100 2.1-3.5 4050=79, 1.8/4040=64...(25) HB3 GLU 128 - H GLN 127 far 5 100 5 - 4.3-6.3 HB3 LEU 96 - H GLN 127 far 0 97 0 - 5.7-7.1 HG2 GLU 91 - H GLN 127 far 0 100 0 - 9.6-11.7 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 2.7-3.9 4059=100, 1.8/4068=86...(23) HG2 GLU 128 - H GLN 127 far 4 83 5 - 4.3-7.2 Violated in 0 structures by 0.00 A. Peak 7816 from nnoeabs.peaks (2.49, 8.20, 119.68 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + H GLN 127 OK 100 100 100 100 2.9-3.9 4068=100, 1.8/4059=84...(23) Violated in 0 structures by 0.00 A. Peak 7819 from nnoeabs.peaks (7.88, 8.20, 119.68 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H GLN 127 OK 100 100 100 100 2.5-2.7 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 4.0-4.7 7860=83, 7855/3.2=75...(14) H SER 51 - H GLN 127 far 0 85 0 - 8.4-9.5 H ALA 52 - H GLN 127 far 0 68 0 - 9.3-10.9 Violated in 1 structures by 0.00 A. Peak 7821 from nnoeabs.peaks (6.82, 6.82, 112.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HE21 GLN 127 OK 100 100 - 100 Peak 7823 from nnoeabs.peaks (3.97, 6.82, 112.36 ppm; 5.23 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.1-5.7 4060/3.5=91, 5.6=81...(6) HA SER 50 + HE21 GLN 127 OK 53 65 85 95 4.5-6.7 3.0/10419=58...(7) HB2 SER 124 - HE21 GLN 127 far 0 68 0 - 6.4-10.3 HB3 SER 51 - HE21 GLN 127 far 0 96 0 - 6.9-11.3 HB2 SER 51 - HE21 GLN 127 far 0 65 0 - 8.4-10.9 Violated in 3 structures by 0.00 A. Peak 7824 from nnoeabs.peaks (2.06, 6.82, 112.36 ppm; 6.14 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.3-5.1 4.5=100 HB2 GLU 128 - HE21 GLN 127 far 0 73 0 - 7.3-10.7 HG3 GLN 134 - HE21 GLN 127 far 0 71 0 - 8.6-15.3 HB3 GLU 44 - HE21 GLN 127 far 0 81 0 - 9.7-16.3 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 2 assignments used, quality = 1.00: * HB3 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.9-5.3 4.5=100 HB3 GLU 128 - HE21 GLN 127 far 0 100 0 - 8.0-10.5 Violated in 2 structures by 0.00 A. Peak 7826 from nnoeabs.peaks (2.35, 6.82, 112.36 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLU 128 - HE21 GLN 127 far 0 83 0 - 9.3-11.7 Violated in 10 structures by 0.07 A. Peak 7827 from nnoeabs.peaks (2.49, 6.82, 112.36 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.5-4.1 3.5=100 HG3 GLU 44 - HE21 GLN 127 far 0 76 0 - 8.9-16.0 Violated in 3 structures by 0.03 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; 4.75 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HE22 GLN 127 OK 99 100 100 99 2.3-5.0 4060/7834=85, 5.6=61...(6) HA SER 50 + HE22 GLN 127 OK 57 65 95 92 2.9-5.8 11874/10434=56...(7) HB2 SER 124 - HE22 GLN 127 far 3 68 5 - 5.0-9.4 HB3 SER 51 - HE22 GLN 127 far 0 96 0 - 7.0-11.8 HB2 SER 51 - HE22 GLN 127 far 0 65 0 - 8.1-11.2 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 4 assignments used, quality = 1.00: * HB2 GLN 127 + HE22 GLN 127 OK 100 100 100 100 1.9-4.5 4.5=100 HB2 GLU 128 - HE22 GLN 127 far 0 73 0 - 5.9-10.2 HG3 GLN 134 - HE22 GLN 127 far 0 71 0 - 9.4-15.0 HB3 GLU 55 - HE22 GLN 127 far 0 92 0 - 10.0-13.4 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 2.3-4.6 4.5=100 HB3 GLU 128 - HE22 GLN 127 far 0 100 0 - 6.7-10.3 HB3 LEU 96 - HE22 GLN 127 far 0 97 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 7834 from nnoeabs.peaks (2.35, 7.48, 112.36 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.96: * HG2 GLN 127 + HE22 GLN 127 OK 96 100 100 96 2.1-3.5 3.5=85, 11579/10434=37...(8) HG2 GLU 128 - HE22 GLN 127 far 0 83 0 - 7.9-11.5 Violated in 1 structures by 0.01 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 2.2-3.5 3.5=100 HG2 GLU 55 - HE22 GLN 127 far 0 81 0 - 9.4-14.4 Violated in 1 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 4.2-4.9 3965/3.2=86...(10) 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 3 assignments used, quality = 1.00: * HA CYS 125 + H GLU 128 OK 100 100 100 100 3.3-4.0 3985=73, 3986/3.6=57...(20) HA ASP 47 - H GLU 128 far 0 96 0 - 7.9-9.7 HA LEU 69 - H GLU 128 far 0 73 0 - 9.9-12.5 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 97 100 100 97 3.9-4.2 3.6/7839=67...(10) H ASP 131 + H GLU 128 OK 81 83 100 97 4.7-5.1 4084/2.9=53, 4.5/7879=47...(12) H LEU 96 - H GLU 128 far 0 90 0 - 7.6-8.4 H LEU 49 - H GLU 128 far 0 96 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 7841 from nnoeabs.peaks (3.43, 7.88, 119.85 ppm; 6.11 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 126 + H GLU 128 OK 100 100 100 100 3.8-4.1 11598=100, 4006/7855=84...(21) HA ILE 129 + H GLU 128 OK 63 63 100 100 5.0-5.4 2.9/7855=99, 3.6/7879=85...(12) Violated in 0 structures by 0.00 A. Peak 7842 from nnoeabs.peaks (8.20, 7.88, 119.85 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + H GLU 128 OK 100 100 100 100 2.5-2.7 3.2=100 H LEU 122 - H GLU 128 far 0 93 0 - 9.2-9.7 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 3.5-3.5 3.6=100 HB2 SER 124 - H GLU 128 far 0 68 0 - 5.6-6.2 HA SER 50 - H GLU 128 far 0 65 0 - 7.9-9.4 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 3.0-3.6 4048=61, 1.8/4058=54...(21) HB2 GLU 128 + H GLU 128 OK 73 73 100 100 2.1-3.1 3.6=97, 3.0/4110=49...(17) HG3 ARG 135 - H GLU 128 far 0 73 0 - 8.8-12.8 HG3 GLN 134 - H GLU 128 far 0 71 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 7845 from nnoeabs.peaks (2.23, 7.88, 119.85 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 128 + H GLU 128 OK 100 100 100 100 2.1-3.6 3.6=98, 3.0/4110=49...(17) * HB3 GLN 127 + H GLU 128 OK 100 100 100 100 3.0-3.8 4058=59, 1.8/4048=55...(22) HB3 LEU 96 - H GLU 128 far 0 97 0 - 6.1-7.1 HG2 GLU 91 - H GLU 128 far 0 100 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 7846 from nnoeabs.peaks (2.35, 7.88, 119.85 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.97: * HG2 GLN 127 + H GLU 128 OK 85 100 85 100 4.7-5.2 4060/3.6=68, 4059/3.2=65...(19) HG2 GLU 128 + H GLU 128 OK 83 83 100 100 2.3-4.7 1.8/4110=83, 4.6=76...(18) HB3 GLN 134 - H GLU 128 far 0 71 0 - 9.2-12.3 Violated in 4 structures by 0.01 A. Peak 7847 from nnoeabs.peaks (2.49, 7.88, 119.85 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + H GLU 128 OK 100 100 100 100 4.9-5.3 4076=100, 4068/3.2=100...(19) 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 2.8-2.9 2.9=100 HA ALA 88 - H GLU 128 far 0 99 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 7851 from nnoeabs.peaks (2.08, 7.88, 119.85 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + H GLU 128 OK 100 100 100 100 2.1-3.1 3.6=100 HB2 GLN 127 + H GLU 128 OK 73 73 100 99 3.0-3.6 1.8/4058=55, 4.7=47...(20) HB VAL 126 - H GLU 128 far 0 73 0 - 4.7-5.2 HG3 GLU 91 - H GLU 128 far 0 63 0 - 7.9-9.3 HG3 GLN 134 - H GLU 128 far 0 100 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 7852 from nnoeabs.peaks (2.22, 7.88, 119.85 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + H GLU 128 OK 100 100 100 100 2.1-3.6 3.6=98, 3.0/4110=49...(18) HB3 GLN 127 + H GLU 128 OK 100 100 100 100 3.0-3.8 4058=59, 1.8/4048=55...(22) HB3 LEU 96 - H GLU 128 far 0 97 0 - 6.1-7.1 HG2 GLU 91 - H GLU 128 far 0 100 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 7853 from nnoeabs.peaks (2.37, 7.88, 119.85 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + H GLU 128 OK 100 100 100 100 2.3-4.7 1.8/4110=85, 4.6=80...(18) HG2 GLN 127 + H GLU 128 OK 79 83 95 100 4.7-5.2 3.0/4048=62, 3.0/4058=61...(19) Violated in 2 structures by 0.01 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 2.4-4.1 4110=100, 4111/2.9=74...(17) 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 2 assignments used, quality = 1.00: * H ILE 129 + H GLU 128 OK 100 100 100 100 2.4-2.8 7862=93, 7864/3.6=47...(19) H SER 94 - H GLU 128 far 0 97 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 7856 from nnoeabs.peaks (8.04, 7.88, 119.85 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.98: * H SER 130 + H GLU 128 OK 96 100 100 96 4.2-4.6 7879=53, 3.6/7862=49...(13) H CYS 125 + H GLU 128 OK 52 99 55 95 4.7-5.0 2.9/7839=56, 7805/3.2=34...(12) Violated in 20 structures by 0.20 A. Peak 7857 from nnoeabs.peaks (8.00, 8.00, 119.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 129 + H ILE 129 OK 100 100 - 100 Peak 7858 from nnoeabs.peaks (4.35, 8.00, 119.54 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 125 + H ILE 129 OK 100 100 100 100 4.1-5.0 3986/7864=98...(18) HA ASP 47 - H ILE 129 far 0 96 0 - 8.1-10.2 HA LEU 69 - H ILE 129 far 0 73 0 - 8.1-11.3 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 3.1-3.6 4006=80, 10402/7873=57...(21) 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 4.0-4.7 7820=100, 3.2/7855=81...(15) 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 4.2-4.7 3.6/7855=99, 2.9/7820=99...(11) HB2 SER 124 - H ILE 129 far 0 68 0 - 7.7-8.2 HA GLU 91 - H ILE 129 far 0 97 0 - 9.1-10.6 HA SER 50 - H ILE 129 far 0 65 0 - 9.3-11.1 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 2.4-2.8 7855=100, 3.6/7864=49...(20) H ALA 88 - H ILE 129 far 0 65 0 - 9.7-11.0 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 - 8.2-9.5 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 2.3-3.6 4094=86, 3.6/7855=56...(18) HB2 GLN 127 - H ILE 129 far 0 73 0 - 5.2-5.7 HB VAL 126 - H ILE 129 far 0 73 0 - 5.4-6.0 HG3 GLU 91 - H ILE 129 far 0 63 0 - 7.2-8.6 HG3 GLN 134 - H ILE 129 far 0 100 0 - 8.2-11.3 Violated in 0 structures by 0.00 A. Peak 7865 from nnoeabs.peaks (2.22, 8.00, 119.54 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + H ILE 129 OK 100 100 100 100 2.8-4.3 4.5=95, 1.8/7864=85...(15) HB3 GLN 127 + H ILE 129 OK 37 100 40 93 5.2-5.9 4058/7855=55...(9) HB3 LEU 96 - H ILE 129 far 0 97 0 - 5.6-6.4 HG2 GLU 91 - H ILE 129 far 0 100 0 - 6.4-8.3 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 2.8-4.8 4109=100, 1.8/4116=100...(17) HG2 GLN 127 + H ILE 129 OK 79 83 100 95 6.2-7.0 4.8/7820=74, 3.8/7861=57...(4) 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 2 assignments used, quality = 1.00: * HG3 GLU 128 + H ILE 129 OK 100 100 100 100 2.6-4.9 4116=100, 1.8/4109=100...(16) HG3 GLU 97 - H ILE 129 far 0 100 0 - 9.3-12.5 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 3 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 3.1-3.6 3.6/7820=50, 4006=40...(21) HA LEU 42 - H ILE 129 far 0 93 0 - 9.7-10.9 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 2.4-3.0 3.8=96, 2.1/7870=65...(15) HB2 GLU 91 - H ILE 129 far 0 99 0 - 8.6-10.5 HB2 GLN 134 - H ILE 129 far 0 87 0 - 8.8-11.2 HG2 ARG 90 - H ILE 129 far 0 83 0 - 9.8-11.7 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 3.6-3.8 4.0=87, 2.1/7869=72...(21) QG1 VAL 133 - H ILE 129 far 0 92 0 - 5.1-8.4 QD2 LEU 49 - H ILE 129 far 0 71 0 - 6.5-9.2 QD1 LEU 122 - H ILE 129 far 0 92 0 - 7.4-10.0 QD1 LEU 53 - H ILE 129 far 0 63 0 - 7.5-10.6 QD1 LEU 70 - H ILE 129 far 0 100 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 7871 from nnoeabs.peaks (0.75, 8.00, 119.54 ppm; 4.09 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + H ILE 129 OK 100 100 100 100 1.6-2.9 1.8/7872=77, 2.1/7873=76...(16) QD2 LEU 96 + H ILE 129 OK 82 100 90 91 4.4-5.1 11807/4006=33...(12) QD1 LEU 96 - H ILE 129 far 0 78 0 - 6.0-6.7 QD2 LEU 43 - H ILE 129 far 0 100 0 - 6.1-6.6 QG1 VAL 93 - H ILE 129 far 0 100 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 7872 from nnoeabs.peaks (1.74, 8.00, 119.54 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 129 + H ILE 129 OK 100 100 100 100 3.2-4.1 2.1/7873=75, 2.9/7869=67...(15) HG3 ARG 90 - H ILE 129 far 0 96 0 - 9.4-11.8 HB2 LEU 43 - H ILE 129 far 0 89 0 - 9.5-10.8 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 1.9-2.8 2.1/7872=66...(22) QD1 LEU 42 - H ILE 129 far 0 99 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 7874 from nnoeabs.peaks (8.04, 8.00, 119.54 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: * H SER 130 + H ILE 129 OK 100 100 100 100 2.9-3.0 3.6=100 H CYS 125 + H ILE 129 OK 72 99 75 98 6.1-6.9 2.9/7858=51...(11) 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 6 assignments used, quality = 1.00: * H ASP 131 + H ILE 129 OK 100 100 100 100 3.9-4.2 7896=100, 7891/3.6=83...(15) H VAL 126 + H ILE 129 OK 82 83 100 100 4.8-5.3 2.9/4006=79, 3.5/7820=71...(11) H LEU 96 - H ILE 129 far 0 100 0 - 7.1-7.8 H LEU 123 - H ILE 129 far 0 97 0 - 9.0-10.0 H LEU 43 - H ILE 129 far 0 89 0 - 9.4-10.4 H LEU 69 - H ILE 129 far 0 63 0 - 9.5-11.9 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 4.0-4.9 10402/4167=79...(15) HA ILE 129 + H SER 130 OK 63 63 100 100 3.6-3.6 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 3.7-4.2 4036=100, 4181/3.9=63...(11) HA SER 50 - H SER 130 far 0 65 0 - 9.0-10.8 HB2 SER 124 - H SER 130 far 0 68 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 7879 from nnoeabs.peaks (7.88, 8.04, 112.76 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H SER 130 OK 100 100 100 100 4.2-4.6 7855/3.6=73, 3.6/4036=67...(14) Violated in 0 structures by 0.00 A. Peak 7880 from nnoeabs.peaks (4.20, 8.04, 112.76 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 128 + H SER 130 OK 100 100 100 100 4.3-4.9 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 1 assignment used, quality = 1.00: * H ILE 129 + H SER 130 OK 100 100 100 100 2.9-3.0 3.6=100 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 3.6-3.6 3.6=100 HA VAL 126 + H SER 130 OK 62 63 100 99 4.0-4.9 3.2/10497=66...(15) HA LEU 42 - H SER 130 far 0 93 0 - 7.5-8.8 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 2.1-2.5 2.1/4143=71, 4135=62...(19) HB2 GLN 134 - H SER 130 far 0 87 0 - 6.5-9.3 Violated in 0 structures by 0.00 A. Peak 7884 from nnoeabs.peaks (0.82, 8.04, 112.76 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + H SER 130 OK 100 100 100 100 2.8-3.8 4143=100, 2.1/7883=67...(17) QG1 VAL 133 + H SER 130 OK 45 92 50 99 3.5-6.8 2.1/10562=50...(19) QD2 LEU 49 - H SER 130 far 0 71 0 - 6.0-9.2 QD1 LEU 53 - H SER 130 far 0 63 0 - 7.7-11.1 QD1 LEU 122 - H SER 130 far 0 92 0 - 8.2-11.4 QD1 LEU 70 - H SER 130 far 0 100 0 - 9.2-11.8 QG2 ILE 80 - H SER 130 far 0 99 0 - 9.3-11.0 HG13 ILE 80 - H SER 130 far 0 100 0 - 9.6-11.0 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 3.3-4.7 2.1/4167=80, 2.9/7883=71...(12) QD2 LEU 43 + H SER 130 OK 100 100 100 100 3.8-4.1 11747/2.9=69, 11091=65...(19) QD2 LEU 96 - H SER 130 far 0 100 0 - 5.5-6.3 QD1 LEU 96 - H SER 130 far 0 78 0 - 6.8-7.9 QG1 VAL 93 - H SER 130 far 0 100 0 - 7.9-8.5 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 2 assignments used, quality = 1.00: * HG13 ILE 129 + H SER 130 OK 100 100 100 100 4.2-5.1 4159=100, 2.1/4167=100...(13) HB2 LEU 43 - H SER 130 far 0 89 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 7887 from nnoeabs.peaks (0.64, 8.04, 112.76 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + H SER 130 OK 100 100 100 100 3.7-4.5 4167=100, 4163/4143=79...(19) QD1 LEU 42 - H SER 130 far 0 99 0 - 5.6-6.9 Violated in 5 structures by 0.01 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...(15) HA LEU 43 - H SER 130 far 10 100 10 - 4.4-5.5 HA VAL 133 - H SER 130 far 0 92 0 - 7.4-7.9 HA ARG 90 - H SER 130 far 0 96 0 - 9.3-10.7 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, 4.6/7891=36...(8) HB2 SER 50 - H SER 130 far 0 90 0 - 7.0-9.7 HA LEU 123 - H SER 130 far 0 68 0 - 8.3-9.3 HA ARG 90 - H SER 130 far 0 63 0 - 9.3-10.7 HA GLU 40 - H SER 130 far 0 83 0 - 9.6-11.3 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 100 100 100 100 2.1-3.1 3.9=83, 1.8/4176=69...(15) 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 10 99 10 - 4.4-5.5 HA VAL 133 - H SER 130 far 0 99 0 - 7.4-7.9 HA ARG 90 - H SER 130 far 0 83 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 7891 from nnoeabs.peaks (8.27, 8.04, 112.76 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.99: * H ASP 131 + H SER 130 OK 99 100 100 99 2.6-2.8 4.5=55, 3.3/7910=38...(19) H VAL 126 - H SER 130 far 0 83 0 - 6.3-6.9 H LEU 43 - H SER 130 far 0 89 0 - 6.7-7.7 H LEU 69 - H SER 130 far 0 63 0 - 9.2-11.2 H LEU 96 - H SER 130 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 7892 from nnoeabs.peaks (8.47, 8.04, 112.76 ppm; 5.97 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 132 + H SER 130 OK 100 100 100 100 4.1-4.7 7910=100, 3.3/7891=97...(16) H ASP 47 + H SER 130 OK 42 92 50 92 6.0-7.5 3.7/10498=72...(5) H LEU 70 - H SER 130 far 0 99 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 7893 from nnoeabs.peaks (8.27, 8.27, 119.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H ASP 131 + H ASP 131 OK 100 100 - 100 H GLU 30 + H GLU 30 OK 91 91 - 100 H LEU 123 + H LEU 123 OK 81 81 - 100 Peak 7894 from nnoeabs.peaks (3.97, 8.27, 119.63 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.98: * HA GLN 127 + H ASP 131 OK 97 100 100 97 4.4-5.5 4036/7891=64...(8) HB2 SER 124 + H LEU 123 OK 37 53 80 87 5.2-6.2 4.0/7761=64, 4.5/7776=46...(6) HA SER 50 - H LEU 123 far 3 51 5 - 5.3-7.7 HA VAL 20 - H GLU 30 far 0 71 0 - 6.7-16.9 HA LEU 100 - H LEU 123 far 0 84 0 - 6.8-9.0 HA GLN 127 - H LEU 123 far 0 87 0 - 7.9-8.8 HA GLN 68 - H GLU 30 far 0 64 0 - 8.9-20.1 Violated in 2 structures by 0.00 A. Peak 7895 from nnoeabs.peaks (4.20, 8.27, 119.63 ppm; 3.51 A): 2 out of 8 assignments used, quality = 0.98: * HA GLU 128 + H ASP 131 OK 97 100 100 97 3.2-3.6 4086/7904=47...(11) HA GLU 30 + H GLU 30 OK 52 52 100 100 2.7-2.9 3.0=100 HA LEU 53 - H LEU 123 far 0 70 0 - 6.0-8.5 HA SER 99 - H LEU 123 far 0 64 0 - 7.4-9.5 HB THR 25 - H GLU 30 far 0 93 0 - 8.0-11.7 HB THR 18 - H GLU 30 far 0 93 0 - 8.2-23.5 HA SER 51 - H LEU 123 far 0 66 0 - 9.3-11.6 HA ALA 88 - H ASP 131 far 0 99 0 - 9.5-10.4 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 3.9-4.2 3.6/7891=72, 3.6/4084=57...(15) H ALA 52 - H LEU 123 far 0 53 0 - 7.6-10.3 H SER 51 - H LEU 123 far 0 68 0 - 8.1-10.5 H ILE 129 - H LEU 123 far 0 87 0 - 9.0-10.0 H LYS 36 - H GLU 30 far 0 92 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 7897 from nnoeabs.peaks (3.46, 8.27, 119.63 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H ASP 131 OK 100 100 100 100 3.9-4.7 3.6/7891=100...(18) HA VAL 126 + H ASP 131 OK 58 63 100 93 6.4-7.0 4.8/7894=60...(8) HA VAL 126 + H LEU 123 OK 49 49 100 100 7.0-7.6 ~10393=83, ~10393=81...(21) HA LEU 42 - H ASP 131 far 0 93 0 - 9.6-10.9 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 6 assignments used, quality = 1.00: * H SER 130 + H ASP 131 OK 100 100 100 100 2.6-2.8 7891=100, 7910/3.3=44...(19) H CYS 125 + H LEU 123 OK 81 84 100 97 3.7-4.2 3.4/7761=53, 7776=51...(19) H ALA 52 - H LEU 123 far 0 85 0 - 7.6-10.3 H VAL 20 - H GLU 30 far 0 54 0 - 9.0-18.5 H CYS 125 - H ASP 131 far 0 99 0 - 9.4-9.9 H LEU 48 - H ASP 131 far 0 97 0 - 9.9-11.7 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 3.5-3.5 3.6=100 HB3 SER 130 + H ASP 131 OK 97 99 100 99 2.8-4.0 4.6=68, 3.9/7891=53...(14) HB2 SER 99 - H LEU 123 far 0 60 0 - 5.0-7.1 HA LEU 43 - H ASP 131 far 0 100 0 - 6.0-7.1 HA VAL 133 - H ASP 131 far 0 92 0 - 6.7-7.4 HA GLU 97 - H LEU 123 far 0 66 0 - 8.7-10.5 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 9 assignments used, quality = 0.97: * HB2 SER 130 + H ASP 131 OK 94 100 100 94 3.2-4.3 4.6=62, 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 - 5.5-6.3 HB2 SER 50 - H LEU 123 far 0 74 0 - 6.7-9.2 HA LEU 62 - H LEU 123 far 0 58 0 - 8.0-9.2 HB2 SER 50 - H ASP 131 far 0 90 0 - 8.5-10.7 HB3 SER 33 - H GLU 30 far 0 49 0 - 8.7-11.6 HD2 PRO 81 - H ASP 131 far 0 57 0 - 9.8-13.4 HA LEU 123 - H ASP 131 far 0 68 0 - 10.0-10.6 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 3.5-3.5 3.6=100 * HB3 SER 130 + H ASP 131 OK 98 100 100 98 2.8-4.0 4.6=65, 3.9/7891=51...(14) HB2 SER 99 - H LEU 123 far 0 75 0 - 5.0-7.1 HA LEU 43 - H ASP 131 far 0 99 0 - 6.0-7.1 HA VAL 133 - H ASP 131 far 0 99 0 - 6.7-7.4 HA GLU 97 - H LEU 123 far 0 80 0 - 8.7-10.5 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 6 assignments used, quality = 1.00: * HA ASP 131 + H ASP 131 OK 100 100 100 100 2.8-2.9 2.9=100 HA THR 25 - H GLU 30 far 0 79 0 - 6.4-12.6 HA ARG 23 - H GLU 30 far 0 69 0 - 7.4-14.7 HA LYS 24 - H GLU 30 far 0 57 0 - 8.4-16.1 HA ASN 59 - H LEU 123 far 0 53 0 - 9.8-11.5 HA LEU 69 - H ASP 131 far 0 76 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 7903 from nnoeabs.peaks (2.77, 8.27, 119.63 ppm; 3.27 A): 1 out of 7 assignments used, quality = 0.99: * HB2 ASP 131 + H ASP 131 OK 99 100 100 99 2.2-3.6 4196=74, 1.8/7904=71...(13) HB2 ASN 121 - H LEU 123 far 0 51 0 - 4.7-5.8 HB3 ASN 120 - H LEU 123 far 0 46 0 - 5.1-6.1 HB2 ASN 120 - H LEU 123 far 0 46 0 - 5.1-5.9 HB3 ASP 35 - H GLU 30 far 0 69 0 - 6.9-14.1 HB2 CYS 73 - H ASP 131 far 0 73 0 - 8.9-10.7 HB2 ASP 64 - H GLU 30 far 0 71 0 - 9.6-26.7 Violated in 8 structures by 0.13 A. Peak 7904 from nnoeabs.peaks (2.87, 8.27, 119.63 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ASP 131 + H ASP 131 OK 99 100 100 99 2.4-2.9 4202=75, 1.8/7903=70...(14) HB2 ASN 116 - H LEU 123 far 0 75 0 - 8.6-11.6 HB3 ASP 47 - H ASP 131 far 0 76 0 - 8.6-10.3 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 5 assignments used, quality = 1.00: * H VAL 132 + H ASP 131 OK 100 100 100 100 2.4-2.8 3.3=100 H LEU 100 - H LEU 123 far 0 75 0 - 6.6-8.8 H ASP 47 - H ASP 131 far 0 92 0 - 7.6-9.3 H GLU 97 - H LEU 123 far 0 49 0 - 8.9-10.2 H ASN 116 - H LEU 123 far 0 53 0 - 10.0-11.7 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 3.8-4.8 7925=96, 11644/7903=48...(14) H ILE 32 + H GLU 30 OK 89 93 100 96 3.3-4.9 10829/4.0=49...(11) H ASN 121 + H LEU 123 OK 53 58 100 92 3.6-4.3 7704=59, 3.6/11560=58...(11) H LEU 22 - H GLU 30 far 0 93 0 - 9.4-17.9 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 2 assignments used, quality = 1.00: * HA GLU 128 + H VAL 132 OK 100 100 100 100 3.8-5.1 4195/7914=77...(11) HA ALA 88 - H VAL 132 far 0 99 0 - 7.5-8.2 Violated in 2 structures by 0.01 A. Peak 7909 from nnoeabs.peaks (3.46, 8.47, 118.09 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 129 + H VAL 132 OK 100 100 100 100 3.1-3.8 4125=99, 4126/7917=70...(28) HA VAL 126 - H VAL 132 far 0 63 0 - 7.6-8.1 HA VAL 77 - H VAL 132 far 0 93 0 - 9.2-10.3 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 1 assignment used, quality = 1.00: * H SER 130 + H VAL 132 OK 100 100 100 100 4.1-4.7 7891/3.3=78, 3.6/7909=54...(16) Violated in 3 structures by 0.01 A. Peak 7912 from nnoeabs.peaks (8.27, 8.47, 118.09 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + H VAL 132 OK 100 100 100 100 2.4-2.8 3.3=100 H LEU 43 - H VAL 132 far 0 89 0 - 9.1-10.0 H VAL 126 - H VAL 132 far 0 83 0 - 9.3-10.0 H SER 99 - H SER 9 far 0 52 0 - 9.9-59.2 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 2 assignments used, quality = 1.00: * HA ASP 131 + H VAL 132 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 12 - H SER 9 far 0 48 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 7914 from nnoeabs.peaks (2.77, 8.47, 118.09 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 131 + H VAL 132 OK 100 100 100 100 3.3-3.8 4200=76, 1.8/7915=69...(18) HB2 CYS 73 - H VAL 132 far 0 73 0 - 8.6-10.5 HB2 TYR 76 - H VAL 132 far 0 95 0 - 9.3-12.4 HB3 ASP 64 - H SER 9 far 0 35 0 - 9.3-53.6 Violated in 5 structures by 0.02 A. Peak 7915 from nnoeabs.peaks (2.87, 8.47, 118.09 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 131 + H VAL 132 OK 100 100 100 100 2.2-2.9 4206=83, 1.8/7914=77...(24) 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 1 assignment used, quality = 1.00: * HA VAL 132 + H VAL 132 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7917 from nnoeabs.peaks (2.28, 8.47, 118.09 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 132 + H VAL 132 OK 100 100 100 100 2.5-3.0 4214=77, 2.1/4226=43...(20) HB3 GLN 101 - H SER 9 far 0 54 0 - 5.9-55.6 HG2 GLU 97 - H SER 9 far 0 69 0 - 7.7-55.6 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 4 assignments used, quality = 1.00: * QG1 VAL 132 + H VAL 132 OK 100 100 100 100 3.7-3.8 2.1/7917=63, 4.0=54...(28) QG2 VAL 132 + H VAL 132 OK 99 99 100 100 1.8-2.3 4226=64, 2.1/7917=63...(31) HG3 LYS 39 - H VAL 132 far 0 68 0 - 8.1-10.1 HG2 LYS 39 - H VAL 132 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 7919 from nnoeabs.peaks (1.14, 8.47, 118.09 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 132 + H VAL 132 OK 100 100 100 100 1.8-2.3 4226=65, 2.1/7917=63...(31) QG1 VAL 132 + H VAL 132 OK 98 99 100 100 3.7-3.8 2.1/7917=63, 4.0=54...(28) HG3 LYS 39 - H VAL 132 far 0 87 0 - 8.1-10.1 HG2 LYS 39 - H VAL 132 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 7920 from nnoeabs.peaks (8.14, 8.47, 118.09 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + H VAL 132 OK 100 100 100 100 2.5-3.0 3.3=100 H GLU 91 - H VAL 132 far 0 83 0 - 8.8-9.9 H PHE 87 - H VAL 132 far 0 60 0 - 9.6-10.6 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 3.7-4.8 7936/3.3=84, 7940=73...(9) HE22 GLN 127 - H VAL 132 far 0 98 0 - 8.4-12.2 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 4.0-4.8 10566/7935=99...(15) HA VAL 77 - H VAL 133 far 14 93 15 - 7.3-8.7 HA VAL 126 - H VAL 133 far 0 63 0 - 8.5-9.2 HA LEU 42 - H VAL 133 far 0 93 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 7925 from nnoeabs.peaks (8.27, 8.14, 117.00 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + H VAL 133 OK 100 100 100 100 3.8-4.8 7903/11644=49...(14) H LEU 43 - H VAL 133 far 0 89 0 - 7.3-8.0 H GLU 40 - H VAL 133 far 0 97 0 - 9.8-10.7 Violated in 3 structures by 0.02 A. Peak 7926 from nnoeabs.peaks (4.31, 8.14, 117.00 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + H VAL 133 OK 100 100 100 100 3.9-5.1 2.9/7925=99...(16) HA TYR 76 - H VAL 133 far 0 100 0 - 9.2-11.1 HA PRO 81 - H VAL 133 far 0 60 0 - 9.4-13.3 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 2.5-3.0 3.3=100 H ASP 47 - H VAL 133 far 0 92 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 7928 from nnoeabs.peaks (3.52, 8.14, 117.00 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + H VAL 133 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7929 from nnoeabs.peaks (2.28, 8.14, 117.00 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + H VAL 133 OK 100 100 100 100 2.1-3.0 4219=80, 7917/3.3=59...(21) HB2 PRO 81 - H VAL 133 far 0 71 0 - 8.2-13.4 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 3.0-4.1 4.2=82, 2.1/7929=76...(26) QG2 VAL 132 + H VAL 133 OK 99 99 100 100 3.3-3.8 2.1/7929=76, 4.4=75...(30) HG3 LYS 39 - H VAL 133 far 0 68 0 - 5.9-7.5 HG2 LYS 39 - H VAL 133 far 0 100 0 - 5.9-7.5 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 3.3-3.8 2.1/7929=76, 4.4=75...(30) QG1 VAL 132 + H VAL 133 OK 99 99 100 100 3.0-4.1 4.2=82, 2.1/7929=76...(26) HG3 LYS 39 - H VAL 133 far 0 87 0 - 5.9-7.5 HG2 LYS 39 - H VAL 133 far 0 100 0 - 5.9-7.5 Violated in 0 structures by 0.00 A. Peak 7932 from nnoeabs.peaks (3.77, 8.14, 117.00 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 133 + H VAL 133 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 130 + H VAL 133 OK 87 92 100 95 3.3-3.9 3.6/7925=34...(20) HB3 SER 130 - H VAL 133 far 0 99 0 - 5.5-6.1 HA LEU 43 - H VAL 133 far 0 93 0 - 6.7-7.5 HA ARG 90 - H VAL 133 far 0 65 0 - 9.1-10.3 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 3 assignments used, quality = 1.00: * HB VAL 133 + H VAL 133 OK 100 100 100 100 2.7-3.6 2.1/7935=72, 4.0=68...(19) HB2 GLN 82 - H VAL 133 far 0 96 0 - 8.3-11.7 HB3 LEU 69 - H VAL 133 far 0 71 0 - 9.7-13.1 Violated in 5 structures by 0.01 A. Peak 7934 from nnoeabs.peaks (0.84, 8.14, 117.00 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 133 + H VAL 133 OK 100 100 100 100 1.7-3.8 4245=80, 2.1/7935=72...(27) QG2 ILE 129 + H VAL 133 OK 29 92 35 91 3.1-5.0 10486/11894=26, 11705=25...(16) HG13 ILE 80 - H VAL 133 far 0 95 0 - 5.0-7.7 QG2 ILE 80 - H VAL 133 far 0 76 0 - 5.3-7.4 Violated in 9 structures by 0.03 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 1.8-3.6 4251=96, 2.1/7933=59...(26) QG1 VAL 77 - H VAL 133 far 0 83 0 - 8.8-10.2 Violated in 2 structures by 0.03 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 2.4-2.8 7942=98, 4256/7935=48...(14) H LEU 42 - H VAL 133 far 0 100 0 - 9.0-10.0 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 3.8-5.0 11861/4256=61...(9) HA VAL 133 + H GLN 134 OK 92 92 100 100 3.3-3.6 3.6=100 HB3 SER 130 - H GLN 134 far 5 99 5 - 5.5-6.8 HA LEU 43 - H GLN 134 far 0 100 0 - 6.2-8.1 Violated in 0 structures by 0.00 A. Peak 7939 from nnoeabs.peaks (4.31, 7.49, 116.34 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 131 + H GLN 134 OK 99 100 100 99 3.1-4.0 4192=72, 4194/7949=59...(11) HA PRO 81 - H GLN 134 far 0 60 0 - 9.2-14.0 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 1 assignment used, quality = 1.00: * H VAL 132 + H GLN 134 OK 100 100 100 100 3.7-4.8 7921=100, 3.3/7936=93...(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 3.5-4.9 3.6/7936=91...(8) Violated in 0 structures by 0.00 A. Peak 7942 from nnoeabs.peaks (8.14, 7.49, 116.34 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + H GLN 134 OK 100 100 100 100 2.4-2.8 7936=100, 7935/4256=49...(14) 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 3.3-3.6 3.6=100 HA SER 130 + H GLN 134 OK 90 92 100 98 3.8-5.0 11861/4256=55...(9) HB3 SER 130 - H GLN 134 far 10 99 10 - 5.5-6.8 HA LEU 43 - H GLN 134 far 0 93 0 - 6.2-8.1 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 2.3-4.4 2.1/4256=77, 2.1/4250=74...(14) HB2 GLN 82 - H GLN 134 far 0 96 0 - 8.0-12.3 Violated in 10 structures by 0.05 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 2.4-4.1 4250=100, 2.1/4256=76...(20) QG2 ILE 129 - H GLN 134 far 0 92 0 - 5.1-7.0 QG2 ILE 80 - H GLN 134 far 0 76 0 - 6.4-8.2 HG13 ILE 80 - H GLN 134 far 0 95 0 - 6.6-9.1 Violated in 4 structures by 0.01 A. Peak 7946 from nnoeabs.peaks (1.04, 7.49, 116.34 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + H GLN 134 OK 100 100 100 100 2.2-3.9 4256=100, 2.1/4250=73...(21) 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 2 assignments used, quality = 1.00: * HA GLN 134 + H GLN 134 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 81 - H GLN 134 far 0 90 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 7948 from nnoeabs.peaks (2.02, 7.49, 116.34 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 134 + H GLN 134 OK 100 100 100 100 2.5-3.7 4.0=75, 1.8/7949=73...(15) HG3 ARG 135 + H GLN 134 OK 42 96 60 73 3.4-6.2 4336/7972=43...(7) HG2 PRO 81 - H GLN 134 far 0 78 0 - 5.6-11.7 HB ILE 129 - H GLN 134 far 0 87 0 - 7.2-8.2 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 2.2-3.7 4.0=77, 2.9/7950=57...(17) HG2 GLU 40 - H GLN 134 far 0 92 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 7950 from nnoeabs.peaks (2.65, 7.49, 116.34 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + H GLN 134 OK 100 100 100 100 1.7-3.5 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 1.9-3.6 1.8/7950=75, 4295=74...(17) HG3 PRO 81 - H GLN 134 far 0 57 0 - 5.3-11.3 HB3 LYS 39 - H GLN 134 far 0 100 0 - 6.8-8.8 HB3 GLN 82 - H GLN 134 far 0 97 0 - 7.1-12.3 HB2 GLU 128 - H GLN 134 far 0 100 0 - 9.0-10.4 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 4.9-6.1 1.7/7964=100...(9) Violated in 7 structures by 0.03 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 1.9-2.7 7972=100, 7975/7949=30...(12) HZ PHE 89 - H GLN 134 far 0 99 0 - 7.0-9.3 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 4.9-6.1 7952=100, 7964/1.7=100...(9) HE22 GLN 127 - HE21 GLN 134 far 0 98 0 - 8.4-13.6 Violated in 0 structures by 0.00 A. Peak 7957 from nnoeabs.peaks (4.35, 6.89, 112.66 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.77: HA PRO 117 + HD21 ASN 121 OK 58 66 100 87 4.6-5.3 2.3/7958=32, 3694/1.7=23...(11) * HA GLN 134 + HE21 GLN 134 OK 45 100 45 100 5.2-5.8 4262/3.5=74, 4261/3.5=72...(8) HA ASP 47 - HE21 GLN 134 far 0 97 0 - 8.4-13.2 HA CYS 125 - HD21 ASN 121 far 0 76 0 - 8.7-11.3 Violated in 13 structures by 0.05 A. Peak 7958 from nnoeabs.peaks (2.02, 6.89, 112.66 ppm; 4.20 A): 2 out of 10 assignments used, quality = 0.99: * HB2 GLN 134 + HE21 GLN 134 OK 97 100 100 97 3.2-3.8 4.3=91, ~7965=35...(4) HB3 PRO 117 + HD21 ASN 121 OK 63 69 100 91 2.8-3.7 2.3/7957=34...(13) HG3 PRO 117 - HD21 ASN 121 poor 11 37 30 - 4.6-5.9 HB3 MET 11 - HD22 ASN 13 far 3 69 5 - 4.0-10.5 HB VAL 20 - HD22 ASN 13 far 0 52 0 - 6.0-20.5 HG3 ARG 135 - HE21 GLN 134 far 0 96 0 - 6.3-11.2 QE MET 11 - HD22 ASN 13 far 0 51 0 - 6.7-11.8 HB ILE 129 - HE21 GLN 134 far 0 87 0 - 9.6-12.5 HG2 PRO 81 - HE21 GLN 134 far 0 78 0 - 9.7-16.7 HB3 LEU 53 - HD21 ASN 121 far 0 43 0 - 9.8-14.4 Violated in 0 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 = 1.00: * HB3 GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.5-4.7 4.3=100 HG2 GLU 102 - HD21 ASN 121 far 0 39 0 - 5.7-11.4 HB3 GLN 101 - HD21 ASN 121 far 0 39 0 - 8.2-14.1 HG2 GLN 127 - HE21 GLN 134 far 0 71 0 - 9.2-12.1 HG2 GLU 40 - HE21 GLN 134 far 0 92 0 - 9.2-14.6 HG2 GLU 44 - HE21 GLN 134 far 0 99 0 - 9.8-15.5 Violated in 8 structures by 0.06 A. Peak 7960 from nnoeabs.peaks (2.65, 6.89, 112.66 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.6-4.1 3.5=100 Violated in 5 structures by 0.08 A. Peak 7961 from nnoeabs.peaks (2.08, 6.89, 112.66 ppm; 4.06 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 PRO 117 + HD21 ASN 121 OK 32 41 100 79 3.2-4.9 2.3/7958=26, 3.8/7957=24...(14) HB VAL 118 - HD21 ASN 121 far 0 47 0 - 5.1-7.3 HB2 GLU 102 - HD21 ASN 121 far 0 77 0 - 5.4-9.3 HB2 GLN 127 - HE21 GLN 134 far 0 71 0 - 9.2-11.8 HG3 PRO 81 - HE21 GLN 134 far 0 57 0 - 9.4-16.6 HB3 LYS 39 - HE21 GLN 134 far 0 100 0 - 9.5-12.4 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 1 assignment used, quality = 1.00: * HE22 GLN 134 + HE21 GLN 134 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7963 from nnoeabs.peaks (7.13, 7.13, 112.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HE22 GLN 134 OK 100 100 - 100 Peak 7964 from nnoeabs.peaks (7.49, 7.13, 112.66 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HE22 GLN 134 OK 100 100 100 100 3.6-4.8 7950/3.5=69, 7951/3.5=68...(11) HE22 GLN 127 - HE22 GLN 134 far 0 98 0 - 9.4-13.6 H LEU 42 - HE22 GLN 134 far 0 100 0 - 9.8-13.7 Violated in 9 structures by 0.05 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 3.5-5.0 4262/3.5=81, 4261/3.5=79...(11) HA ASP 47 - HE22 GLN 134 far 0 97 0 - 8.5-13.5 Violated in 1 structures by 0.00 A. Peak 7966 from nnoeabs.peaks (2.02, 7.13, 112.66 ppm; 4.43 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 134 + HE22 GLN 134 OK 100 100 100 100 1.9-3.2 4.3=100 HG3 ARG 135 - HE22 GLN 134 far 0 96 0 - 5.6-9.6 HG2 PRO 81 - HE22 GLN 134 far 0 78 0 - 8.0-15.8 HB ILE 129 - HE22 GLN 134 far 0 87 0 - 8.6-11.7 HB3 GLU 40 - HE22 GLN 134 far 0 92 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 7967 from nnoeabs.peaks (2.33, 7.13, 112.66 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 134 + HE22 GLN 134 OK 100 100 100 100 2.2-3.5 4.3=100 HG2 GLU 40 - HE22 GLN 134 far 0 92 0 - 7.8-14.6 HG2 GLN 127 - HE22 GLN 134 far 0 71 0 - 8.6-12.9 HG2 GLU 44 - HE22 GLN 134 far 0 99 0 - 9.8-14.9 Violated in 0 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 2.5-3.5 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 2.4-3.5 3.5=100 HG3 PRO 81 - HE22 GLN 134 far 0 57 0 - 7.7-15.5 HB3 LYS 39 - HE22 GLN 134 far 0 100 0 - 8.3-11.1 HB2 GLN 127 - HE22 GLN 134 far 0 71 0 - 8.6-12.0 HB3 GLN 82 - HE22 GLN 134 far 0 97 0 - 8.8-16.5 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 1.9-2.7 7954=88, 7949/7975=27...(12) 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 2.8-3.5 3.6=100 HA PRO 81 - H ARG 135 far 0 90 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 7974 from nnoeabs.peaks (2.02, 7.31, 125.67 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 134 + H ARG 135 OK 98 100 100 98 3.5-4.4 4.4=62, 1.8/7975=58...(8) HG3 ARG 135 + H ARG 135 OK 96 96 100 100 2.0-4.2 1.8/7983=83, 4336=68...(23) HG2 PRO 81 - H ARG 135 far 0 78 0 - 5.1-10.6 HB ILE 129 - H ARG 135 far 0 87 0 - 9.3-10.1 Violated in 1 structures by 0.01 A. Peak 7975 from nnoeabs.peaks (2.33, 7.31, 125.67 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 134 + H ARG 135 OK 100 100 100 100 2.8-4.7 4.4=95, 7949/7972=71...(8) Violated in 10 structures by 0.13 A. Peak 7976 from nnoeabs.peaks (2.65, 7.31, 125.67 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + H ARG 135 OK 100 100 100 100 2.9-5.1 4.9=93, 1.8/7977=84...(13) Violated in 10 structures by 0.08 A. Peak 7977 from nnoeabs.peaks (2.08, 7.31, 125.67 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 134 + H ARG 135 OK 100 100 100 100 2.3-5.1 4.9=82, 7951/7972=77...(12) HG3 PRO 81 - H ARG 135 far 6 57 10 - 5.2-10.0 HB3 GLN 82 - H ARG 135 far 5 97 5 - 5.4-10.6 HB3 LYS 39 - H ARG 135 far 0 100 0 - 7.4-10.1 HB2 GLU 128 - H ARG 135 far 0 100 0 - 9.8-11.7 Violated in 14 structures by 0.26 A. Peak 7980 from nnoeabs.peaks (4.02, 7.31, 125.67 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + H ARG 135 OK 100 100 100 100 2.7-2.9 3.0=100 HD3 PRO 81 - H ARG 135 far 0 83 0 - 6.4-10.4 Violated in 0 structures by 0.00 A. Peak 7981 from nnoeabs.peaks (1.90, 7.31, 125.67 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + H ARG 135 OK 100 100 100 100 2.2-3.6 1.8/7982=73, 4.0=57...(21) HB3 ARG 84 - H ARG 135 far 0 100 0 - 7.5-11.2 Violated in 1 structures by 0.01 A. Peak 7982 from nnoeabs.peaks (1.82, 7.31, 125.67 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + H ARG 135 OK 100 100 100 100 2.4-3.7 1.8/7981=67, 4.0=52...(19) HB2 ARG 84 - H ARG 135 far 0 98 0 - 8.0-12.2 HB2 LYS 86 - H ARG 135 far 0 76 0 - 9.8-12.4 Violated in 19 structures by 0.36 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 2.0-3.8 4328=62, 2.9/7982=56...(26) HD3 LYS 39 - H ARG 135 far 0 100 0 - 6.6-8.6 HB ILE 80 - H ARG 135 far 0 65 0 - 8.7-10.2 HB2 LEU 43 - H ARG 135 far 0 89 0 - 8.8-10.5 Violated in 6 structures by 0.09 A. Peak 7984 from nnoeabs.peaks (2.03, 7.31, 125.67 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + H ARG 135 OK 100 100 100 100 2.0-4.2 1.8/7983=77, 4336=62...(24) HB2 GLN 134 + H ARG 135 OK 78 96 85 96 3.5-4.4 4.4=52, 1.8/7975=51...(8) HG3 PRO 81 - H ARG 135 far 0 85 0 - 5.2-10.0 Violated in 5 structures by 0.03 A. Peak 7985 from nnoeabs.peaks (2.94, 7.31, 125.67 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 135 + H ARG 135 OK 100 100 100 100 1.9-4.9 3.0/7983=77, 3.7/7982=69...(29) HE3 LYS 39 - H ARG 135 far 14 97 15 - 4.9-10.4 HE2 LYS 39 - H ARG 135 far 10 99 10 - 4.1-9.1 HE3 LYS 86 - H ARG 135 far 0 81 0 - 10.0-13.7 Violated in 10 structures by 0.14 A. Peak 7986 from nnoeabs.peaks (3.23, 7.31, 125.67 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 135 + H ARG 135 OK 100 100 100 100 2.8-5.0 1.8/7985=87, 3.0/7983=86...(26) Violated in 16 structures by 0.12 A. Peak 9012 from nnoeabs.peaks (4.53, 7.97, 121.77 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.94: HA ASP 35 + H ILE 37 OK 94 97 100 96 4.1-5.1 6388/4.4=58...(10) HA SER 38 - H ILE 37 far 5 99 5 - 4.8-5.9 HA TYR 72 - H ILE 37 far 4 87 5 - 5.3-6.8 Violated in 19 structures by 0.37 A. Peak 9029 from nnoeabs.peaks (8.29, 7.98, 119.00 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.96: H GLU 40 + H SER 38 OK 93 97 100 96 4.8-5.9 6448/6430=77...(5) H LEU 43 + H SER 38 OK 47 100 85 56 5.5-8.0 10942/9040=40, 4.6/6425=25 H TYR 72 - H SER 38 far 0 57 0 - 7.5-9.7 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 97 97 100 99 1.9-3.5 9036/2.8=68...(11) QD TYR 76 + H LYS 39 OK 81 83 100 98 3.2-5.2 ~9036=53, ~9036=51...(10) 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 99 1.8-4.1 10819/6423=53...(13) HG3 LYS 39 - H SER 38 far 0 63 0 - 7.2-8.6 HG12 ILE 80 - H SER 38 far 0 65 0 - 9.3-11.3 HG12 ILE 32 - H SER 38 far 0 78 0 - 9.8-14.9 Violated in 2 structures by 0.02 A. Peak 9076 from nnoeabs.peaks (1.69, 7.49, 120.97 ppm; 5.29 A): 0 out of 5 assignments used, quality = 0.00: HD2 LYS 39 - H LEU 42 poor 19 95 20 - 5.4-7.9 HD3 LYS 36 - H LEU 42 far 4 81 5 - 6.2-9.1 HD3 LYS 39 - H LEU 42 far 0 76 0 - 6.3-8.3 HB2 LEU 69 - H LEU 42 far 0 78 0 - 6.6-10.2 HD2 LYS 36 - H LEU 42 far 0 81 0 - 6.9-10.4 Violated in 17 structures by 0.42 A. Peak 9130 from nnoeabs.peaks (1.18, 8.33, 119.61 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 41 + H GLU 44 OK 98 98 100 100 4.4-5.0 2.1/6515=91, 3.7/6516=58...(14) HG3 LYS 39 - H GLU 44 far 4 76 5 - 5.2-7.1 QG2 THR 25 - H GLU 44 far 0 99 0 - 7.8-27.7 Violated in 6 structures by 0.01 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 4.4-5.0 3.1/6531=77, 9188/2.8=73...(9) Violated in 14 structures by 0.08 A. Peak 9142 from nnoeabs.peaks (6.80, 7.69, 120.85 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + H CYS 45 OK 100 100 100 100 4.6-5.8 9547/3.5=73, 9532=71...(18) HE21 GLN 127 - H CYS 45 far 0 87 0 - 8.2-14.7 Violated in 13 structures by 0.25 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 LEU 69 - H CYS 45 far 14 95 15 - 4.5-8.7 HB3 GLN 68 - H CYS 45 far 0 100 0 - 6.3-9.5 HB VAL 133 - H CYS 45 far 0 96 0 - 9.0-11.1 Violated in 18 structures by 1.46 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 4.0-4.3 9188/3.6=66, 9132/3.4=61...(13) Violated in 0 structures by 0.00 A. Peak 9162 from nnoeabs.peaks (0.99, 7.69, 120.85 ppm; 6.19 A): 1 out of 2 assignments used, quality = 0.93: QD1 LEU 69 + H CYS 45 OK 93 93 100 100 3.4-5.8 9165/3.2=97, 9160/3.5=93...(22) QD2 LEU 53 - H CYS 45 far 0 63 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 9163 from nnoeabs.peaks (0.89, 7.69, 120.85 ppm; 5.84 A): 2 out of 4 assignments used, quality = 0.86: QD2 LEU 69 + H CYS 45 OK 76 76 100 100 3.9-6.3 2.1/11082=84...(24) QD1 LEU 49 + H CYS 45 OK 42 83 65 79 5.2-8.1 10887/3.5=34...(7) QD2 LEU 48 - H CYS 45 far 9 90 10 - 6.6-7.5 QD2 LEU 123 - H CYS 45 far 0 99 0 - 8.8-13.1 Violated in 1 structures by 0.01 A. Peak 9165 from nnoeabs.peaks (0.99, 8.54, 121.48 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.89: QD1 LEU 69 + H ALA 46 OK 89 89 100 100 2.3-4.1 11083=81, 11046/3.1=58...(25) QG2 VAL 126 - H ALA 46 far 0 63 0 - 5.9-6.6 QG2 VAL 118 - H HIS 5 far 0 76 0 - 8.2-57.9 QD2 LEU 53 - H ALA 46 far 0 71 0 - 8.4-12.5 Violated in 1 structures by 0.00 A. Peak 9166 from nnoeabs.peaks (0.78, 8.54, 121.48 ppm; 5.04 A): 2 out of 11 assignments used, quality = 0.81: QD2 LEU 43 + H ALA 46 OK 73 73 100 99 4.6-5.0 9176/3.1=78, 3.9/1347=49...(9) QD2 LEU 49 + H ALA 46 OK 30 87 35 100 4.0-6.9 10898/2.9=78, ~10899=40...(19) QD1 LEU 96 - H ALA 46 far 0 99 0 - 7.0-8.3 QD1 LEU 53 - H ALA 46 far 0 92 0 - 7.3-11.6 HG12 ILE 129 - H ALA 46 far 0 60 0 - 7.5-10.4 QD2 LEU 122 - H ALA 46 far 0 99 0 - 7.8-11.7 QD1 LEU 122 - H ALA 46 far 0 63 0 - 8.0-11.0 QG1 VAL 93 - H ALA 46 far 0 60 0 - 8.9-10.3 QD1 ILE 37 - H ALA 46 far 0 100 0 - 9.2-10.5 QD1 ILE 32 - H ALA 46 far 0 100 0 - 9.5-18.9 QD2 LEU 122 - H HIS 5 far 0 90 0 - 9.7-55.7 Violated in 0 structures by 0.00 A. Peak 9167 from nnoeabs.peaks (0.57, 8.54, 121.48 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 42 + H ALA 46 OK 99 99 100 100 4.2-5.9 9177/3.1=95...(10) 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 = 0.96: QG1 VAL 126 + H ASP 47 OK 88 89 100 99 4.1-4.9 10409/6568=72...(12) QD1 LEU 49 + H ASP 47 OK 52 65 90 88 3.9-6.8 4.7/6573=49, 9209/3.6=26...(12) QD1 LEU 48 + H ASP 47 OK 26 90 30 95 3.3-6.0 4.8/6579=60, 3.1/9196=39...(8) QG2 VAL 126 - H ASP 47 far 0 73 0 - 6.5-7.3 QD1 LEU 123 - H ASP 47 far 0 96 0 - 7.2-9.0 QD2 LEU 53 - H ASP 47 far 0 65 0 - 8.0-11.5 QG2 ILE 37 - H ASP 47 far 0 100 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9181 from nnoeabs.peaks (0.77, 8.46, 118.99 ppm; 5.93 A): 2 out of 7 assignments used, quality = 0.93: QD2 LEU 43 + H ASP 47 OK 82 83 100 99 4.9-5.7 9176/6568=89...(10) QD2 LEU 49 + H ASP 47 OK 59 78 75 100 4.6-6.9 10898/3.6=87...(14) QD1 LEU 53 - H ASP 47 far 0 85 0 - 6.9-10.2 QD2 LEU 96 - H ASP 47 far 0 68 0 - 7.7-9.0 QD1 LEU 96 - H ASP 47 far 0 100 0 - 7.9-9.4 QD2 LEU 122 - H ASP 47 far 0 96 0 - 8.0-11.9 HG12 ILE 129 - H ASP 47 far 0 71 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 9198 from nnoeabs.peaks (1.50, 8.04, 122.99 ppm; 5.50 A): 2 out of 5 assignments used, quality = 0.96: HB2 LEU 49 + H LEU 48 OK 95 100 95 100 4.5-6.5 3.9/6589=86, 4.6/6590=63...(17) QB ALA 52 + H LEU 48 OK 30 78 40 95 6.1-6.9 9247/6589=51...(16) HG LEU 69 - H LEU 48 far 0 95 0 - 6.5-9.1 HG LEU 42 - H LEU 48 far 0 92 0 - 8.3-9.4 HB2 LEU 53 - H LEU 48 far 0 83 0 - 9.9-11.6 Violated in 2 structures by 0.02 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 3.9-5.0 9446=91, 10991/6584=76...(16) QG2 THR 54 - H LEU 48 far 0 99 0 - 8.2-9.0 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 = 1.00: QG2 THR 65 + H SER 50 OK 99 99 100 100 4.2-5.2 11703/3.2=77...(15) QG2 THR 54 + H SER 50 OK 49 85 95 61 4.9-6.6 9278/6621=28...(7) QG2 THR 65 - H SER 60 far 0 91 0 - 9.2-10.3 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 4.6-5.6 10409/11785=88, ~1455=59...(12) 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 9 assignments used, quality = 1.00: HG3 PRO 58 + H SER 60 OK 80 80 100 99 4.7-5.5 2.3/10975=76...(11) HB2 GLN 61 + H SER 60 OK 77 89 100 87 4.5-5.4 4.0/6750=63, 4.6/6746=27...(8) HB3 GLN 61 + H SER 60 OK 69 85 95 85 4.5-6.3 4.0/6750=63, 4.6/6746=27...(8) HB VAL 126 + H SER 50 OK 66 89 75 99 4.7-6.3 2.1/11785=96...(7) HB VAL 57 - H SER 60 far 9 94 10 - 5.9-6.5 HB VAL 112 - H SER 60 far 0 49 0 - 7.5-12.6 HB3 GLU 44 - H SER 50 far 0 97 0 - 9.1-10.6 HB3 GLN 61 - H SER 50 far 0 95 0 - 9.4-11.6 HG3 PRO 113 - H SER 60 far 0 56 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 9220 from nnoeabs.peaks (1.43, 7.98, 115.88 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.93: QB ALA 92 + H SER 94 OK 93 93 100 100 4.6-5.1 7267/3.6=74...(21) Violated in 9 structures by 0.04 A. Peak 9221 from nnoeabs.peaks (1.94, 7.98, 115.88 ppm; 4.11 A): 2 out of 5 assignments used, quality = 0.87: HB2 LYS 95 + H SER 94 OK 79 92 90 95 4.6-5.5 9948/9220=38...(18) HB3 ARG 90 + H SER 94 OK 38 92 80 52 3.6-5.5 3.0/7275=47, 9964/3.6=10 HG LEU 53 - H SER 51 far 10 99 10 - 4.3-7.8 HB3 LEU 49 - H SER 51 far 0 63 0 - 5.1-5.9 HB3 LYS 95 - H SER 94 far 0 93 0 - 6.1-6.4 Violated in 8 structures by 0.09 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 4.3-4.9 ~1691=84, ~1614=83...(8) QG2 THR 65 + H SER 51 OK 70 71 100 98 5.2-6.1 11703/6610=73...(10) 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 2 assignments used, quality = 0.93: QB ALA 52 + H SER 51 OK 86 93 100 93 3.9-4.5 6662/6658=53...(11) HB2 LEU 49 + H SER 51 OK 53 66 80 99 4.7-6.0 3.9/6610=53, ~6619=49...(24) 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 9 assignments used, quality = 0.91: HD3 LYS 95 + H SER 94 OK 73 83 90 98 4.0-6.7 3.7/9221=38, 7303/3.4=29...(22) HD2 LYS 95 + H SER 94 OK 68 92 75 98 4.0-6.7 3.7/9221=38, 7303/3.4=29...(22) HB2 LEU 98 - H SER 94 far 0 95 0 - 7.2-9.8 HB2 LEU 123 - H SER 51 far 0 88 0 - 7.4-9.6 HG LEU 70 - H SER 94 far 0 65 0 - 7.5-9.7 QB ALA 88 - H SER 94 far 0 78 0 - 7.6-8.4 HG LEU 62 - H SER 51 far 0 90 0 - 8.5-9.9 HB2 LEU 122 - H SER 51 far 0 49 0 - 8.8-12.6 HB2 LEU 122 - H SER 94 far 0 57 0 - 9.4-12.6 Violated in 2 structures by 0.02 A. Peak 9226 from nnoeabs.peaks (2.22, 7.99, 115.96 ppm; 5.19 A): 1 out of 5 assignments used, quality = 0.81: HB3 LEU 96 + H SER 94 OK 81 90 90 100 4.9-6.8 9975/3.4=67, 3.8/7288=45...(20) HG2 GLU 91 - H SER 94 poor 20 99 20 - 6.0-6.4 HB3 GLU 97 - H SER 94 far 10 100 10 - 5.7-7.4 HB3 GLU 128 - H SER 94 far 0 100 0 - 7.9-10.7 HB3 GLN 127 - H SER 51 far 0 92 0 - 8.5-10.2 Violated in 17 structures by 0.31 A. Peak 9227 from nnoeabs.peaks (0.90, 8.03, 125.41 ppm; 3.96 A): 3 out of 7 assignments used, quality = 0.92: QD2 LEU 48 + H ALA 52 OK 86 99 100 87 3.4-4.2 10961/1620=44...(11) QD2 LEU 123 + H ALA 52 OK 23 90 35 74 3.9-7.1 11422/10963=31...(9) QD1 LEU 49 + H ALA 52 OK 21 96 25 88 4.1-6.5 3.2/9234=22, 4.1/1544=22...(22) QD1 LEU 48 - H ALA 52 far 4 76 5 - 4.1-6.6 QD1 LEU 123 - H ALA 52 far 0 65 0 - 5.4-7.5 QD1 LEU 62 - H ALA 52 far 0 95 0 - 5.8-7.9 QG1 VAL 118 - H ALA 52 far 0 100 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 9228 from nnoeabs.peaks (0.68, 8.03, 125.41 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 62 + H ALA 52 OK 95 100 95 100 3.9-5.5 10996/2.9=91...(15) QD2 LEU 100 - H ALA 52 far 0 100 0 - 8.4-10.7 Violated in 4 structures by 0.11 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 4.5-5.2 6684/6673=69...(9) QG2 THR 65 + H ALA 52 OK 87 89 100 98 4.5-5.9 9432/9228=52, 9446=42...(15) Violated in 0 structures by 0.00 A. Peak 9234 from nnoeabs.peaks (1.94, 8.03, 125.41 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.80: HG LEU 53 + H ALA 52 OK 59 99 60 100 3.6-6.9 2.1/10963=70...(13) HB3 LEU 49 + H ALA 52 OK 51 68 75 100 4.6-5.8 9240/2.9=42, 4.6/6645=39...(32) Violated in 10 structures by 0.08 A. Peak 9250 from nnoeabs.peaks (1.23, 7.71, 113.84 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.97: QG2 THR 54 + H LEU 53 OK 96 97 100 99 3.3-4.2 9263/3.0=74...(8) QG2 THR 65 + H LEU 53 OK 21 100 25 83 5.2-7.6 9432/9251=38...(7) 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 2.6-4.7 9232/6662=79...(13) QD2 LEU 100 - H LEU 53 far 0 92 0 - 7.1-11.0 Violated in 1 structures by 0.01 A. Peak 9261 from nnoeabs.peaks (8.00, 7.75, 122.78 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.77: H VAL 57 + H GLU 55 OK 61 100 85 72 5.3-5.7 4.1/9280=51, 6699/3.8=15...(6) H ALA 52 + H GLU 55 OK 41 65 80 78 5.2-5.8 2.9/9264=45, 2.9/9267=35...(5) H SER 51 - H GLU 55 far 0 87 0 - 6.8-7.4 Violated in 20 structures by 0.20 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 76 81 100 94 3.8-4.2 11905/6692=38...(9) HA LEU 53 + H GLU 55 OK 56 68 100 82 3.4-3.7 3.6/6687=65...(6) HA3 GLY 114 - H GLU 55 far 0 60 0 - 5.0-13.9 Violated in 0 structures by 0.00 A. Peak 9266 from nnoeabs.peaks (3.67, 7.75, 122.78 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.98: HD2 PRO 56 + H GLU 55 OK 91 92 100 99 4.7-4.9 4.8=73, 4.8/6692=49...(13) HD3 PRO 56 + H GLU 55 OK 75 76 100 99 4.7-4.9 4.8=73, 4.8/6692=49...(12) Violated in 5 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 = 0.89: QB ALA 52 + H GLU 55 OK 72 81 100 89 4.5-4.9 2.1/9264=51...(7) HB2 LEU 53 + H GLU 55 OK 63 81 100 78 4.8-5.4 4.6/6687=66, 3.0/9264=33 HB2 LEU 49 - H GLU 55 far 0 100 0 - 8.6-10.4 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 = 0.71: HG2 GLU 55 + H THR 54 OK 71 73 100 97 3.1-5.2 4.9/6687=70...(6) HG3 GLN 61 - H THR 54 far 0 60 0 - 7.7-10.0 Violated in 1 structures by 0.00 A. Peak 9279 from nnoeabs.peaks (0.93, 7.75, 122.78 ppm; 4.14 A): 0 out of 9 assignments used, quality = 0.00: QD1 LEU 62 - H GLU 55 far 13 87 15 - 4.8-6.7 QD1 LEU 119 - H GLU 55 far 5 97 5 - 4.7-8.4 QG1 VAL 57 - H GLU 55 far 0 89 0 - 5.2-5.6 QD1 LEU 123 - H GLU 55 far 0 100 0 - 6.6-8.4 QD1 LEU 49 - H GLU 55 far 0 85 0 - 6.7-10.5 QD2 LEU 48 - H GLU 55 far 0 76 0 - 7.6-8.4 QD1 LEU 48 - H GLU 55 far 0 99 0 - 8.3-10.8 QG1 VAL 126 - H GLU 55 far 0 71 0 - 9.7-11.8 QG2 VAL 112 - H GLU 55 far 0 99 0 - 9.7-13.0 Violated in 20 structures by 0.44 A. Peak 9280 from nnoeabs.peaks (0.84, 7.75, 122.78 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.75: QG2 VAL 57 + H GLU 55 OK 75 81 100 93 3.4-4.1 9314/6692=55...(9) Violated in 0 structures by 0.00 A. Peak 9335 from nnoeabs.peaks (3.98, 6.60, 111.09 ppm; 5.04 A): 2 out of 6 assignments used, quality = 0.60: HB3 SER 107 + HD21 ASN 59 OK 49 73 70 94 2.0-8.3 3.0/11786=70...(7) HB3 SER 106 + HD21 ASN 59 OK 22 99 40 56 2.8-9.5 10096/11424=33...(9) HB2 SER 106 - HD21 ASN 59 poor 15 87 35 49 4.4-10.9 10096/11424=27...(7) HA LEU 100 - HD21 ASN 59 far 4 76 5 - 5.8-8.8 HA SER 60 - HD21 ASN 59 lone 1 71 35 6 3.7-7.8 3405/11713=2, 1075/9342=2 HB3 SER 99 - HD21 ASN 59 far 0 81 0 - 8.1-11.5 Violated in 6 structures by 0.36 A. Peak 9338 from nnoeabs.peaks (4.45, 8.66, 113.17 ppm; 4.66 A): 1 out of 7 assignments used, quality = 0.99: HA PRO 58 + H SER 60 OK 99 100 100 100 3.8-4.4 2.3/10975=80...(13) HA VAL 112 - H SER 60 far 0 57 0 - 7.6-11.7 HB THR 54 - H SER 50 far 0 86 0 - 8.0-10.2 HA ASP 64 - H SER 60 far 0 99 0 - 8.0-9.1 HA THR 54 - H SER 50 far 0 54 0 - 8.1-10.0 HA ASN 120 - H SER 50 far 0 56 0 - 8.3-10.2 HA SER 106 - H SER 60 far 0 99 0 - 8.9-13.7 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 92 97 95 100 1.9-6.2 2.1/11424=88, 11428=79...(13) HB2 LEU 103 + HD21 ASN 59 OK 67 97 70 99 4.1-6.5 3.2/11424=75...(13) HB2 LEU 119 - HD21 ASN 59 far 4 81 5 - 5.7-12.0 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 4 assignments used, quality = 0.79: QB ALA 109 + HD21 ASN 59 OK 62 81 80 96 2.4-7.3 9356/3.5=70, 9353/3.5=54...(11) QB ALA 108 + HD21 ASN 59 OK 44 71 65 96 3.6-7.9 2.9/11482=84...(10) QB ALA 110 - HD21 ASN 59 far 10 65 15 - 5.2-10.8 QB ALA 15 - HD21 ASN 59 far 0 65 0 - 9.5-40.5 Violated in 1 structures by 0.01 A. Peak 9342 from nnoeabs.peaks (0.91, 6.60, 111.09 ppm; 4.44 A): 3 out of 8 assignments used, quality = 0.96: QG2 VAL 63 + HD21 ASN 59 OK 86 100 90 96 2.0-6.0 10967/3.5=57...(12) QD1 LEU 62 + HD21 ASN 59 OK 55 100 60 92 2.8-7.1 9388/4.4=55...(7) QG1 VAL 118 + HD21 ASN 59 OK 27 93 45 63 4.2-7.6 11612/11424=26...(9) QD1 LEU 119 - HD21 ASN 59 poor 15 63 50 48 3.5-9.1 2.1/9343=27, ~9348=18...(4) QG2 VAL 112 - HD21 ASN 59 far 15 97 15 - 4.7-9.5 QD1 LEU 49 - HD21 ASN 59 far 0 100 0 - 8.7-13.0 QD2 LEU 123 - HD21 ASN 59 far 0 60 0 - 9.6-14.8 QD1 LEU 22 - HD21 ASN 59 far 0 85 0 - 9.7-39.6 Violated in 0 structures by 0.00 A. Peak 9343 from nnoeabs.peaks (0.79, 6.60, 111.09 ppm; 3.88 A): 2 out of 9 assignments used, quality = 0.87: QD1 LEU 103 + HD21 ASN 59 OK 79 99 80 100 1.9-5.5 11424=70, 11427/1.7=62...(15) QD2 LEU 119 + HD21 ASN 59 OK 37 96 65 60 2.3-8.5 9348/1.7=20, 9355/3.5=15...(11) QG1 VAL 63 - HD21 ASN 59 far 15 99 15 - 4.0-8.4 QD2 LEU 122 - HD21 ASN 59 far 0 100 0 - 5.1-10.5 QD1 LEU 122 - HD21 ASN 59 far 0 87 0 - 5.7-9.6 QD1 LEU 53 - HD21 ASN 59 far 0 100 0 - 7.2-15.0 QD2 LEU 49 - HD21 ASN 59 far 0 99 0 - 8.2-12.0 QD1 LEU 96 - HD21 ASN 59 far 0 89 0 - 8.7-11.7 QD1 LEU 70 - HD21 ASN 59 far 0 57 0 - 9.5-14.8 Violated in 4 structures by 0.21 A. Peak 9346 from nnoeabs.peaks (1.39, 7.79, 111.09 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 109 + HD22 ASN 59 OK 99 100 100 99 2.1-7.2 9353/3.5=70, 9356/3.5=69...(13) QB ALA 108 + HD22 ASN 59 OK 95 100 100 95 3.8-7.5 ~11482=84, 9341/1.7=27...(8) QB ALA 110 - HD22 ASN 59 poor 19 99 55 35 4.8-10.6 9349/6720=21, 9356/3.5=8...(4) HB3 LEU 100 - HD22 ASN 59 far 0 97 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 9347 from nnoeabs.peaks (0.91, 7.79, 111.09 ppm; 5.12 A): 4 out of 7 assignments used, quality = 1.00: QD1 LEU 62 + HD22 ASN 59 OK 98 100 100 98 3.6-5.9 9388/4.4=71...(7) QG2 VAL 63 + HD22 ASN 59 OK 88 100 90 98 2.6-6.4 10967/3.5=72...(7) QG1 VAL 118 + HD22 ASN 59 OK 38 93 65 63 3.6-6.6 11612/11427=32...(7) QD1 LEU 119 + HD22 ASN 59 OK 31 63 85 58 3.3-7.8 2.1/9348=31, ~9343=25...(6) QG2 VAL 112 - HD22 ASN 59 poor 12 97 55 23 3.7-8.9 10732/9346=13...(4) QD2 LEU 123 - HD22 ASN 59 far 0 60 0 - 9.0-13.7 QD1 LEU 49 - HD22 ASN 59 far 0 100 0 - 9.2-13.6 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 8 assignments used, quality = 1.00: QD1 LEU 103 + HD22 ASN 59 OK 100 100 100 100 2.3-4.1 11427=100, 11424/1.7=84...(16) QD2 LEU 119 + HD22 ASN 59 OK 53 90 80 74 3.0-7.4 9343/1.7=30, 9355/3.5=21...(12) QG1 VAL 63 - HD22 ASN 59 poor 20 100 20 - 4.8-8.9 QD2 LEU 122 - HD22 ASN 59 far 5 100 5 - 5.1-11.0 QD1 LEU 122 - HD22 ASN 59 far 0 78 0 - 6.3-9.7 QD1 LEU 53 - HD22 ASN 59 far 0 98 0 - 6.4-13.8 QD2 LEU 49 - HD22 ASN 59 far 0 96 0 - 8.5-12.4 QD1 LEU 96 - HD22 ASN 59 far 0 95 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 9349 from nnoeabs.peaks (1.39, 8.89, 122.23 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.53: QB ALA 109 + H ASN 59 OK 53 100 65 82 3.5-8.4 9353/6717=37...(6) QB ALA 110 - H ASN 59 poor 20 100 30 66 2.4-9.2 10930/6711=46...(6) QB ALA 108 - H ASN 59 far 5 100 5 - 2.9-8.9 Violated in 14 structures by 0.69 A. Peak 9350 from nnoeabs.peaks (0.89, 8.89, 122.23 ppm; 4.86 A): 2 out of 6 assignments used, quality = 0.89: QG2 VAL 63 + H ASN 59 OK 68 83 95 87 5.1-5.8 10967/6717=48...(9) QD1 LEU 62 + H ASN 59 OK 64 76 85 100 4.0-5.8 9388/2.9=56, ~9387=51...(28) QG2 VAL 57 - H ASN 59 far 9 63 15 - 5.6-6.3 QG1 VAL 118 - H ASN 59 far 0 98 0 - 7.2-9.4 QD1 LEU 22 - H ASN 59 far 0 100 0 - 9.3-42.4 QD1 LEU 49 - H ASN 59 far 0 78 0 - 9.5-12.6 Violated in 5 structures by 0.03 A. Peak 9369 from nnoeabs.peaks (1.48, 7.56, 111.48 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 52 + HE22 GLN 61 OK 99 100 100 99 2.1-5.0 9312/9371=75...(9) HB2 LEU 49 - HE22 GLN 61 far 5 93 5 - 6.0-11.2 Violated in 0 structures by 0.00 A. Peak 9371 from nnoeabs.peaks (0.94, 7.56, 111.48 ppm; 4.16 A): 1 out of 12 assignments used, quality = 0.87: QG1 VAL 57 + HE22 GLN 61 OK 87 97 90 100 1.9-5.1 9376/1.7=77, 9377/3.5=55...(15) QD1 LEU 62 - HE22 GLN 61 poor 15 73 20 - 3.4-8.5 QD2 LEU 48 - HE22 GLN 61 lone 7 60 65 19 3.0-6.4 9231/9369=17, 1520/6654=1 QD1 LEU 49 - HE22 GLN 61 far 7 71 10 - 4.0-9.9 QD1 LEU 48 - HE22 GLN 61 lone 0 93 35 2 3.4-8.5 QD2 LEU 53 - HE22 GLN 61 far 0 60 0 - 5.7-10.9 QD1 LEU 119 - HE22 GLN 61 far 0 100 0 - 6.0-12.1 QG2 VAL 63 - HE22 GLN 61 far 0 65 0 - 6.5-10.4 QG2 VAL 126 - HE22 GLN 61 far 0 68 0 - 8.3-12.6 QG1 VAL 126 - HE22 GLN 61 far 0 85 0 - 8.4-12.1 QD1 LEU 123 - HE22 GLN 61 far 0 97 0 - 8.9-13.2 QG2 VAL 112 - HE22 GLN 61 far 0 93 0 - 9.1-15.8 Violated in 7 structures by 0.18 A. Peak 9375 from nnoeabs.peaks (1.48, 6.88, 111.48 ppm; 6.17 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 52 + HE21 GLN 61 OK 100 100 100 100 1.8-5.3 9312/9376=94...(7) HB2 LEU 49 - HE21 GLN 61 poor 20 78 25 - 5.6-11.7 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 = 0.94: QG1 VAL 57 + HE21 GLN 61 OK 94 99 95 99 2.4-5.1 9371/1.7=68, 9377/3.5=56...(13) QD1 LEU 62 - HE21 GLN 61 poor 13 63 20 - 3.3-7.7 QD2 LEU 53 - HE21 GLN 61 far 7 71 10 - 4.5-10.4 QD1 LEU 49 - HE21 GLN 61 far 6 60 10 - 3.3-10.4 QD1 LEU 48 - HE21 GLN 61 lone 1 87 25 5 4.4-7.7 ~9371=4 QD1 LEU 119 - HE21 GLN 61 far 0 100 0 - 5.7-11.1 QG2 VAL 126 - HE21 GLN 61 far 0 78 0 - 7.7-13.2 QG1 VAL 126 - HE21 GLN 61 far 0 92 0 - 7.7-12.5 QD1 LEU 123 - HE21 GLN 61 far 0 93 0 - 8.2-12.8 QG2 VAL 112 - HE21 GLN 61 far 0 87 0 - 10.0-15.4 Violated in 2 structures by 0.06 A. Peak 9380 from nnoeabs.peaks (0.84, 7.56, 111.48 ppm; 6.01 A): 1 out of 2 assignments used, quality = 0.85: QG2 VAL 57 + HE22 GLN 61 OK 85 85 100 100 2.2-6.1 2.1/9371=92, ~9376=88...(13) QD2 LEU 69 - HE22 GLN 61 far 0 68 0 - 7.3-12.6 Violated in 2 structures by 0.00 A. Peak 9381 from nnoeabs.peaks (0.84, 6.88, 111.48 ppm; 6.03 A): 1 out of 3 assignments used, quality = 0.85: QG2 VAL 57 + HE21 GLN 61 OK 85 85 100 100 2.0-5.0 2.1/9376=99, 9380/1.7=84...(13) QD2 LEU 69 - HE21 GLN 61 far 3 68 5 - 6.2-12.9 QD2 LEU 70 - HE21 GLN 61 far 0 95 0 - 9.6-15.3 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 2.9-4.0 4.5=100 QG2 THR 115 - H VAL 63 far 0 76 0 - 8.6-12.8 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 9 assignments used, quality = 0.00: QB ALA 29 - H ASP 64 far 5 95 5 - 6.7-23.9 QB ALA 110 - H ASP 64 far 0 97 0 - 7.2-14.7 HB3 LEU 100 - H ASP 64 far 0 93 0 - 7.4-10.0 QB ALA 15 - H ASP 64 far 0 97 0 - 7.7-35.0 QB ALA 28 - H ASP 64 far 0 97 0 - 8.0-25.4 QB ALA 108 - H ASP 64 far 0 98 0 - 8.6-13.6 QB ALA 109 - H ASP 64 far 0 100 0 - 9.4-12.8 QB ALA 16 - H ASP 64 far 0 97 0 - 9.8-35.6 HG2 LYS 24 - H ASP 64 far 0 93 0 - 10.0-38.0 Violated in 20 structures by 1.64 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: HB3 GLN 61 - H ASP 64 far 0 100 0 - 5.5-6.1 HB2 GLN 61 - H ASP 64 far 0 100 0 - 5.7-6.2 HB VAL 57 - H ASP 64 far 0 97 0 - 7.8-8.8 HG3 PRO 58 - H ASP 64 far 0 60 0 - 8.3-8.8 Violated in 20 structures by 1.32 A. Peak 9415 from nnoeabs.peaks (0.90, 8.38, 118.14 ppm; 4.19 A): 1 out of 11 assignments used, quality = 0.33: QG2 VAL 63 + H THR 65 OK 33 96 35 100 4.9-5.4 6826/6837=63...(19) QD1 LEU 49 - H THR 65 far 9 93 10 - 4.4-7.7 QG2 VAL 20 - H ASP 35 far 5 96 5 - 4.3-22.7 QG1 VAL 20 - H ASP 35 far 5 94 5 - 4.0-21.4 QD1 LEU 48 - H THR 65 far 4 71 5 - 4.5-7.1 QD2 LEU 48 - H THR 65 far 0 97 0 - 5.3-6.9 QD2 LEU 69 - H THR 65 far 0 60 0 - 5.4-7.8 QD1 LEU 62 - H THR 65 far 0 92 0 - 6.5-7.0 QD1 LEU 22 - H ASP 35 far 0 97 0 - 7.8-24.7 QG1 VAL 118 - H THR 65 far 0 100 0 - 7.9-9.4 QD2 LEU 123 - H THR 65 far 0 93 0 - 8.0-11.8 Violated in 20 structures by 0.98 A. Peak 9416 from nnoeabs.peaks (0.79, 8.38, 118.14 ppm; 4.11 A): 4 out of 12 assignments used, quality = 1.00: QD1 ILE 37 + H ASP 35 OK 89 93 100 95 4.0-5.0 10792/6380=65...(14) QG1 VAL 63 + H THR 65 OK 79 99 80 100 4.3-5.5 2.1/9415=70...(18) QD1 ILE 32 + H ASP 35 OK 61 91 80 83 4.0-8.4 10846/4.0=41...(8) QD2 LEU 49 + H THR 65 OK 52 99 55 96 3.7-5.4 9431/4.0=56...(15) QD1 LEU 122 - H THR 65 far 0 87 0 - 5.6-8.2 QD2 LEU 122 - H THR 65 far 0 100 0 - 5.8-8.6 QD1 LEU 53 - H THR 65 far 0 100 0 - 6.3-10.9 QD1 LEU 103 - H THR 65 far 0 99 0 - 6.3-8.6 QD1 LEU 96 - H THR 65 far 0 89 0 - 7.0-8.2 QD2 LEU 119 - H THR 65 far 0 96 0 - 7.3-11.6 QD1 LEU 70 - H THR 65 far 0 57 0 - 7.6-10.7 QD1 ILE 32 - H THR 65 far 0 96 0 - 8.0-21.6 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 4.4-5.2 9384/3.5=54...(14) QD2 LEU 62 + H THR 65 OK 85 100 90 94 4.9-5.9 9432/4.0=60...(8) 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 7 assignments used, quality = 0.98: HB VAL 63 + H THR 65 OK 98 98 100 100 4.5-5.0 2.1/9415=95...(13) HB VAL 20 - H ASP 35 far 5 92 5 - 5.9-27.8 QE MET 11 - H THR 65 far 0 63 0 - 6.4-37.4 HG2 PRO 58 - H THR 65 far 0 93 0 - 7.4-8.4 HB3 GLU 40 - H ASP 35 far 0 71 0 - 9.0-15.8 HB3 LEU 53 - H THR 65 far 0 85 0 - 9.5-13.7 QE MET 11 - H ASP 35 far 0 58 0 - 9.5-36.9 Violated in 0 structures by 0.00 A. Peak 9433 from nnoeabs.peaks (0.89, 8.90, 110.50 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.70: QD1 LEU 49 + H GLY 66 OK 49 87 60 94 3.5-6.7 10966/4.4=39...(14) QD2 LEU 69 + H GLY 66 OK 41 71 65 88 3.7-6.6 ~11058=31, 11044/4.4=23...(18) QG2 VAL 63 - H GLY 66 poor 18 90 20 - 4.8-5.4 QD1 LEU 48 - H GLY 66 far 0 60 0 - 5.6-7.9 QD1 LEU 62 - H GLY 66 far 0 85 0 - 5.8-7.0 QD2 LEU 48 - H GLY 66 far 0 93 0 - 6.0-8.1 QG1 VAL 118 - H GLY 66 far 0 100 0 - 6.7-8.3 QD2 LEU 123 - H GLY 66 far 0 97 0 - 7.0-10.7 Violated in 8 structures by 0.21 A. Peak 9434 from nnoeabs.peaks (0.80, 8.90, 110.50 ppm; 3.96 A): 3 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + H GLY 66 OK 97 100 100 98 2.6-4.5 9431/4.4=40, 2.1/9433=38...(17) QG1 VAL 63 + H GLY 66 OK 72 89 85 96 4.0-5.4 3.2/2019=38...(19) QD1 LEU 122 + H GLY 66 OK 35 99 55 65 3.9-6.6 11110/4.4=35...(10) QD2 LEU 122 - H GLY 66 far 14 95 15 - 4.0-6.7 QD1 LEU 96 - H GLY 66 far 0 63 0 - 4.9-6.2 QD1 LEU 53 - H GLY 66 far 0 99 0 - 5.2-10.4 QD1 LEU 103 - H GLY 66 far 0 87 0 - 5.5-7.8 QD1 LEU 70 - H GLY 66 far 0 85 0 - 5.9-8.9 QD2 LEU 119 - H GLY 66 far 0 100 0 - 6.7-10.5 QD1 ILE 32 - H GLY 66 far 0 76 0 - 8.4-21.4 QG2 ILE 129 - H GLY 66 far 0 78 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9435 from nnoeabs.peaks (0.67, 8.90, 110.50 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + H GLY 66 OK 99 100 100 100 3.0-4.0 9384=74, 2.1/10045=52...(19) QD2 LEU 62 + H GLY 66 OK 55 100 60 91 4.1-5.6 1998/6847=45...(11) 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 4.6-5.1 3.6/6845=92...(11) HA2 GLY 66 + H THR 65 OK 90 92 100 98 5.0-5.4 3.6/6845=92...(9) HD2 PRO 58 - H THR 65 far 0 71 0 - 8.3-10.6 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 7 assignments used, quality = 0.98: HG2 GLN 68 + H HIS 67 OK 92 98 95 99 3.4-6.9 2150/6872=79...(15) HB2 GLN 68 + H HIS 67 OK 79 100 80 99 4.2-6.2 3.7/6872=84...(11) HB3 GLN 104 - H HIS 67 far 15 100 15 - 5.2-9.6 HB3 GLU 97 - H HIS 67 far 0 99 0 - 7.2-10.2 HB2 GLN 101 - H HIS 67 far 0 90 0 - 7.8-11.6 HB3 LEU 96 - H HIS 67 far 0 93 0 - 8.8-10.8 HB2 GLN 101 - H HIS 8 far 0 63 0 - 8.9-58.3 Violated in 0 structures by 0.00 A. Peak 9458 from nnoeabs.peaks (1.69, 8.65, 120.06 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.60: HB3 LEU 70 + H HIS 67 OK 40 73 55 100 4.5-7.7 3.2/11100=63, ~9462=42...(27) HB2 LEU 69 + H HIS 67 OK 33 78 45 95 5.1-7.6 3.7/6915=51...(9) HB2 LEU 70 - H HIS 67 far 12 81 15 - 5.4-7.7 HG LEU 98 - H HIS 8 far 0 58 0 - 8.0-63.0 Violated in 10 structures by 0.35 A. Peak 9460 from nnoeabs.peaks (0.80, 8.65, 120.06 ppm; 4.00 A): 3 out of 11 assignments used, quality = 0.98: QG1 VAL 63 + H HIS 67 OK 92 95 100 98 3.1-4.5 10974/9461=44...(14) QD2 LEU 49 + H HIS 67 OK 54 100 60 91 4.4-6.1 9208/3.6=28, 9208/3.6=28...(15) QD1 LEU 70 + H HIS 67 OK 33 76 45 98 4.1-7.4 9462/2.9=38, ~11089=38...(21) QD2 LEU 122 - H HIS 67 far 10 98 10 - 4.7-7.4 QD1 LEU 122 - H HIS 67 far 10 97 10 - 4.6-7.7 QD1 LEU 96 - H HIS 67 far 7 73 10 - 4.5-5.9 QD1 LEU 103 - H HIS 67 far 0 93 0 - 5.4-8.6 QD1 ILE 32 - H HIS 67 far 0 85 0 - 7.0-19.9 QD1 LEU 53 - H HIS 67 far 0 100 0 - 7.3-12.2 QD2 LEU 119 - H HIS 67 far 0 100 0 - 8.3-11.7 QG2 ILE 129 - H HIS 67 far 0 68 0 - 9.5-11.2 Violated in 1 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 2.4-4.2 10990=94, 2.1/11037=67...(19) QD2 LEU 62 - H HIS 67 far 0 100 0 - 6.5-7.7 Violated in 0 structures by 0.00 A. Peak 9474 from nnoeabs.peaks (0.81, 7.86, 121.44 ppm; 5.16 A): 3 out of 12 assignments used, quality = 0.96: QD2 LEU 49 + H GLN 68 OK 82 96 90 95 4.5-6.2 11250/6894=47...(11) QG1 VAL 63 + H GLN 68 OK 59 68 95 92 4.9-6.1 9411/6875=39...(9) QD1 LEU 70 + H GLN 68 OK 42 97 45 96 4.7-7.4 9462/3.6=72...(7) QG2 ILE 80 - H ALA 88 poor 20 79 25 - 5.7-6.5 QD1 LEU 122 - H GLN 68 far 10 100 10 - 5.9-9.4 HG13 ILE 80 - H ALA 88 far 0 69 0 - 6.1-9.3 QD2 LEU 122 - H GLN 68 far 0 78 0 - 6.2-8.9 QG1 VAL 133 - H ALA 88 far 0 44 0 - 7.2-9.9 QG2 ILE 129 - H ALA 88 far 0 72 0 - 7.3-8.5 QD1 LEU 103 - H GLN 68 far 0 65 0 - 7.4-10.7 QD1 LEU 53 - H GLN 68 far 0 92 0 - 8.2-13.4 QG2 ILE 129 - H GLN 68 far 0 95 0 - 8.3-10.6 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 4.3-5.4 11016/6890=88...(13) QG2 THR 83 + H ALA 88 OK 75 75 100 100 5.8-6.9 9761/4.5=83...(7) HG12 ILE 80 - H ALA 88 far 0 62 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 9476 from nnoeabs.peaks (1.14, 7.86, 121.70 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + H ALA 88 OK 100 100 100 100 4.4-5.0 9861/7185=44, ~11528=38...(23) QG1 VAL 132 + H ALA 88 OK 99 99 100 100 3.2-4.0 10533/7185=56, ~11528=38...(24) HG12 ILE 32 - H GLN 68 far 0 48 0 - 8.2-20.8 HB3 LEU 62 - H GLN 68 far 0 77 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 9477 from nnoeabs.peaks (1.98, 7.86, 121.70 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.98: HB2 GLU 91 + H ALA 88 OK 93 93 100 100 4.3-5.8 2748/2.9=76...(23) HB3 LYS 86 + H ALA 88 OK 65 68 100 95 5.0-5.6 4.6/7170=67, 4.0/7175=53...(9) HG2 PRO 81 - H ALA 88 far 0 87 0 - 9.4-13.0 HB ILE 129 - H GLN 68 far 0 56 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 9483 from nnoeabs.peaks (2.20, 8.46, 121.15 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.36: HB2 GLN 68 + H LEU 70 OK 36 81 45 100 4.8-6.3 3.0/6938=76, 3.7/6894=58...(19) HB3 GLN 68 - H LEU 70 poor 17 83 20 - 4.6-6.5 HB3 GLU 97 - H LEU 70 far 9 87 10 - 4.8-8.7 HB3 GLN 104 - H LEU 70 far 0 73 0 - 8.9-13.3 HB2 GLN 101 - H LEU 70 far 0 99 0 - 9.2-12.2 HB2 GLN 104 - H LEU 70 far 0 98 0 - 9.9-13.4 Violated in 19 structures by 0.93 A. Peak 9491 from nnoeabs.peaks (2.20, 8.14, 121.15 ppm; 5.57 A): 2 out of 4 assignments used, quality = 0.97: HB2 GLN 68 + H ASP 71 OK 85 85 100 100 5.3-6.3 3.0/6956=90, 9483/3.4=76...(22) HB3 GLN 68 + H ASP 71 OK 78 78 100 100 5.2-6.3 3.0/6956=90, 4.4/6932=62...(20) HB3 GLU 97 - H ASP 71 far 5 90 5 - 6.3-9.5 HB3 GLN 104 - H ASP 71 far 0 78 0 - 9.5-14.4 Violated in 1 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 4.6-6.1 2291/3.4=91...(15) HB3 ASP 64 - H LEU 70 far 0 100 0 - 9.9-11.3 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 4.9-7.0 3.0/6955=93, ~6936=69...(11) HB3 TYR 72 + H ASP 71 OK 100 100 100 100 4.5-5.2 4.4/6970=79, ~6983=77...(10) HB3 CYS 73 + H ASP 71 OK 81 81 100 100 5.0-6.7 11093/2275=86...(11) HA VAL 63 - H ASP 71 far 0 73 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 9520 from nnoeabs.peaks (1.50, 8.32, 120.30 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.87: HG LEU 42 + H TYR 72 OK 81 96 85 100 5.2-6.8 2.1/9524=84, 9516/3.8=67...(17) HG LEU 69 + H TYR 72 OK 32 90 35 100 4.7-7.1 3.7/6973=95, 2.1/9522=92...(18) Violated in 9 structures by 0.08 A. Peak 9522 from nnoeabs.peaks (1.02, 8.32, 120.30 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 69 + H TYR 72 OK 97 97 100 100 4.0-5.6 2208/6973=81...(22) QG2 VAL 133 - H TYR 72 far 0 78 0 - 8.4-10.4 Violated in 4 structures by 0.09 A. Peak 9523 from nnoeabs.peaks (0.81, 8.32, 120.30 ppm; 5.38 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 70 + H TYR 72 OK 100 100 100 100 4.6-6.2 6950/6974=70...(23) QG2 ILE 129 - H TYR 72 far 10 99 10 - 6.0-7.5 QD2 LEU 49 - H TYR 72 far 0 87 0 - 7.2-9.4 QG1 VAL 133 - H TYR 72 far 0 78 0 - 8.2-9.8 QD1 LEU 122 - H TYR 72 far 0 99 0 - 8.3-12.0 QD2 LEU 122 - H TYR 72 far 0 63 0 - 8.5-12.1 Violated in 11 structures by 0.26 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 3.6-4.5 9091/3.8=78...(19) QD1 ILE 129 - H TYR 72 far 0 99 0 - 7.6-8.9 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 4.1-5.6 9538/2.9=84...(9) HE ARG 90 - H CYS 73 far 4 85 5 - 6.5-12.0 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 6 assignments used, quality = 0.90: * HG CYS 73 + H CYS 73 OK 90 100 100 90 2.0-3.3 9557/7007=36...(11) HB2 CYS 45 - H CYS 73 far 0 100 0 - 6.1-8.4 HE2 LYS 19 - H CYS 73 far 0 85 0 - 6.8-30.6 HE2 LYS 36 - H CYS 73 far 0 87 0 - 6.8-11.2 HE3 LYS 19 - H CYS 73 far 0 71 0 - 7.5-31.2 HE3 LYS 36 - H CYS 73 far 0 78 0 - 8.0-11.9 Violated in 0 structures by 0.00 A. Peak 9557 from nnoeabs.peaks (2.94, 8.41, 115.94 ppm; 4.43 A): 1 out of 7 assignments used, quality = 0.98: HG CYS 73 + H SER 74 OK 98 100 100 98 1.9-4.7 9555/7007=68...(9) HE2 LYS 19 - H SER 74 far 4 85 5 - 4.9-31.8 HE3 LYS 19 - H SER 74 far 0 71 0 - 5.9-31.0 HE2 LYS 36 - H SER 74 far 0 87 0 - 8.5-12.9 HB2 CYS 45 - H SER 74 far 0 100 0 - 8.6-10.8 HE3 LYS 36 - H SER 74 far 0 78 0 - 9.6-13.3 HE3 LYS 86 - H SER 74 far 0 83 0 - 9.7-12.9 Violated in 13 structures by 0.07 A. Peak 9561 from nnoeabs.peaks (1.70, 8.85, 116.83 ppm; 6.37 A): 2 out of 4 assignments used, quality = 0.99: HB2 LEU 70 + H CYS 73 OK 95 95 100 100 5.2-6.1 3.0/6989=96, 4.3/6970=73...(16) HB3 LEU 70 + H CYS 73 OK 90 90 100 100 5.3-6.2 3.0/6989=96...(17) HD3 LYS 36 - H CYS 73 far 0 60 0 - 8.0-10.2 HD2 LYS 36 - H CYS 73 far 0 60 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 9562 from nnoeabs.peaks (1.51, 8.85, 116.83 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.90: HG LEU 69 + H CYS 73 OK 70 100 70 100 3.8-7.1 2.1/11084=87...(19) HG LEU 42 + H CYS 73 OK 65 65 100 100 4.2-5.9 2.1/9565=92, ~9570=68...(17) Violated in 1 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 2.8-4.9 11084=100, 9522/3.5=61...(26) Violated in 0 structures by 0.00 A. Peak 9564 from nnoeabs.peaks (0.76, 8.85, 116.83 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.98: QG1 VAL 93 + H CYS 73 OK 93 93 100 100 4.0-5.4 11422/2.9=58...(16) QD2 LEU 96 + H CYS 73 OK 73 92 85 94 5.0-5.6 11810/6989=46...(11) QD1 ILE 37 - H CYS 73 far 5 92 5 - 5.5-7.4 QD1 LEU 96 - H CYS 73 far 0 99 0 - 5.9-7.5 QD2 LEU 43 - H CYS 73 far 0 98 0 - 7.0-9.2 HG12 ILE 129 - H CYS 73 far 0 93 0 - 7.3-9.1 QD2 LEU 122 - H CYS 73 far 0 76 0 - 8.3-12.2 QD1 ILE 32 - H CYS 73 far 0 95 0 - 8.4-16.0 Violated in 6 structures by 0.03 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 2.2-3.5 9570/2.9=80, 9104=59...(20) QD1 ILE 129 - H CYS 73 far 0 99 0 - 6.1-7.2 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 4.0-4.7 11328=96, 9955/2.9=90...(22) QD1 ILE 80 - H CYS 73 far 0 65 0 - 6.7-7.8 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 9 assignments used, quality = 0.80: QG1 VAL 93 + H SER 74 OK 80 81 100 100 3.2-4.9 2.1/9576=65, 9590/2.9=58...(15) QD2 LEU 96 - H SER 74 far 4 78 5 - 5.3-7.3 QD1 ILE 37 - H SER 74 far 0 99 0 - 6.0-7.5 QD1 LEU 96 - H SER 74 far 0 100 0 - 6.5-9.0 HG12 ILE 129 - H SER 74 far 0 81 0 - 7.9-11.1 QD2 LEU 49 - H SER 74 far 0 68 0 - 8.8-11.6 QD2 LEU 43 - H SER 74 far 0 90 0 - 8.9-10.9 QD2 LEU 122 - H SER 74 far 0 90 0 - 9.0-12.9 QD1 ILE 32 - H SER 74 far 0 99 0 - 9.1-16.5 Violated in 3 structures by 0.03 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 4.0-5.5 2.1/9575=85, 9955/3.6=73...(15) QD1 ILE 80 - H SER 74 far 0 85 0 - 6.8-7.9 Violated in 2 structures by 0.02 A. Peak 9577 from nnoeabs.peaks (1.04, 8.41, 115.94 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.89: QG1 VAL 77 + H SER 74 OK 76 76 100 100 4.2-5.7 9592/2.9=86...(13) QD1 LEU 69 + H SER 74 OK 56 60 100 94 4.8-7.0 9522/7005=52...(8) QG2 VAL 133 - H SER 74 far 0 100 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 9582 from nnoeabs.peaks (8.02, 8.41, 115.94 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.81: H TYR 76 + H SER 74 OK 81 83 100 98 3.6-4.2 3.1/7014=86...(8) H CYS 79 - H SER 74 far 0 83 0 - 8.3-8.7 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 = 0.95: H VAL 77 + H GLY 75 OK 93 96 100 97 3.5-4.5 11147=79, 4.0/9593=40...(9) H ASP 78 + H GLY 75 OK 33 65 65 79 5.0-5.8 4.5/11147=44...(4) 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 3 assignments used, quality = 0.97: HB3 TYR 76 + H GLY 75 OK 97 97 100 100 4.1-4.7 7029/3.1=93, ~7028=85...(8) HD2 ARG 90 - H GLY 75 far 9 57 15 - 5.4-11.8 HD3 ARG 90 - H GLY 75 far 3 63 5 - 6.1-10.6 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 96 96 100 100 4.1-4.9 7028/3.1=86, ~7029=73...(13) HB2 CYS 73 + H GLY 75 OK 75 76 100 99 4.7-6.0 4.4/7014=79, 3.0/9539=59...(11) Violated in 0 structures by 0.00 A. Peak 9593 from nnoeabs.peaks (1.05, 7.79, 107.45 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.95: QG1 VAL 77 + H GLY 75 OK 95 95 100 100 3.6-4.9 11188/3.6=84...(17) QG2 VAL 133 - H GLY 75 far 0 99 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 9595 from nnoeabs.peaks (0.77, 7.79, 107.45 ppm; 4.79 A): 2 out of 7 assignments used, quality = 0.72: QD1 ILE 37 + H GLY 75 OK 63 98 65 99 4.3-6.5 9608/2.9=68, 9604/2.9=62...(12) QG1 VAL 93 + H GLY 75 OK 24 83 30 95 5.4-7.2 9575/7014=61...(7) QD2 LEU 96 - H GLY 75 far 0 81 0 - 7.5-9.5 QD1 LEU 96 - H GLY 75 far 0 100 0 - 8.8-11.3 QD1 ILE 32 - H GLY 75 far 0 99 0 - 9.2-14.9 QD2 LEU 43 - H GLY 75 far 0 92 0 - 9.4-11.3 HG12 ILE 129 - H GLY 75 far 0 83 0 - 9.6-13.2 Violated in 13 structures by 0.26 A. Peak 9601 from nnoeabs.peaks (2.34, 8.04, 121.95 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.99: HB VAL 77 + H TYR 76 OK 99 99 100 100 4.4-4.9 7042/3.1=96, 2.1/9611=93...(22) Violated in 0 structures by 0.00 A. Peak 9609 from nnoeabs.peaks (0.64, 8.04, 121.95 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + H TYR 76 OK 100 100 100 100 3.4-4.8 9103=68, 9092/7029=61...(12) QD1 ILE 129 - H TYR 76 far 0 100 0 - 7.7-9.2 Violated in 1 structures by 0.01 A. Peak 9610 from nnoeabs.peaks (0.79, 8.04, 121.95 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.78: QD1 ILE 37 + H TYR 76 OK 78 98 80 100 4.8-6.8 9604/3.5=72, 9026/3.1=70...(13) QD1 ILE 32 - H ALA 16 far 0 43 0 - 7.1-21.7 QG2 ILE 80 - H TYR 76 far 0 68 0 - 8.1-8.3 QD1 LEU 96 - H TYR 76 far 0 90 0 - 9.1-11.1 Violated in 12 structures by 0.46 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 3.3-4.3 7043/3.1=87...(24) QG2 VAL 133 - H TYR 76 far 0 85 0 - 7.1-8.9 QG1 VAL 77 - H ALA 16 far 0 48 0 - 9.2-33.7 Violated in 0 structures by 0.00 A. Peak 9612 from nnoeabs.peaks (1.20, 8.04, 121.95 ppm; 5.12 A): 1 out of 6 assignments used, quality = 0.92: QG2 VAL 77 + H TYR 76 OK 92 92 100 100 5.6-5.8 2.1/9611=87, 2400/3.1=78...(20) QG2 THR 18 - H ALA 16 far 4 28 15 - 3.5-8.5 HG12 ILE 80 - H TYR 76 far 0 92 0 - 6.2-8.5 QB ALA 41 - H TYR 76 far 0 68 0 - 7.1-8.8 QG2 THR 18 - H TYR 76 far 0 71 0 - 9.7-28.1 QG2 THR 25 - H TYR 76 far 0 98 0 - 9.8-23.5 Violated in 20 structures by 0.57 A. Peak 9636 from nnoeabs.peaks (0.81, 7.54, 116.56 ppm; 5.67 A): 4 out of 5 assignments used, quality = 0.95: QG2 ILE 129 + H VAL 77 OK 87 97 95 94 5.4-6.6 9646/7042=78...(9) QG2 ILE 80 + H VAL 77 OK 30 100 30 100 6.3-6.8 11203/7044=68, ~9725=62...(26) HG13 ILE 80 + H VAL 77 OK 24 96 25 100 4.6-7.3 ~9725=77, ~9725=72...(26) QG1 VAL 133 + H VAL 77 OK 23 71 40 80 5.9-7.3 10557/9665=36...(9) QD1 LEU 70 - H VAL 77 far 0 99 0 - 6.9-10.4 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 3.6-4.3 9725/3.0=91...(35) QG2 VAL 93 + H VAL 77 OK 63 83 80 96 4.6-5.8 9969/7044=51...(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 3.3-5.2 9677/7044=88...(19) Violated in 2 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 4.0-4.2 9703=99, 7066/7059=77...(8) Violated in 0 structures by 0.00 A. Peak 9681 from nnoeabs.peaks (6.49, 7.58, 116.40 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 76 + H ASP 78 OK 98 98 100 100 4.8-5.3 11169/7053=79...(11) QE TYR 76 - H ASP 78 far 0 81 0 - 6.6-6.9 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 5.1-5.2 2.9/7059=97, 3.6/9680=78...(7) HA ILE 80 - H ASP 78 far 0 90 0 - 6.4-7.0 HA PHE 89 - H ASP 78 far 0 76 0 - 9.0-10.6 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 4.6-5.1 9725/3.6=99...(13) QG2 VAL 93 - H ASP 78 far 9 90 10 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 9690 from nnoeabs.peaks (0.81, 7.58, 116.40 ppm; 5.94 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + H ASP 78 OK 100 100 100 100 5.8-6.7 4.0/9680=84...(8) HG13 ILE 80 - H ASP 78 poor 19 96 20 - 5.1-7.7 QG1 VAL 133 - H ASP 78 far 0 71 0 - 7.6-9.3 QG2 ILE 129 - H ASP 78 far 0 97 0 - 7.8-8.7 QD1 LEU 70 - H ASP 78 far 0 99 0 - 8.7-12.2 Violated in 19 structures by 0.30 A. Peak 9696 from nnoeabs.peaks (1.21, 8.04, 116.97 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.65: QG2 VAL 77 + H CYS 79 OK 65 65 100 100 4.4-4.7 2.1/9697=69, 4.3/7059=58...(18) HG12 ILE 80 - H CYS 79 far 5 100 5 - 3.7-5.8 Violated in 20 structures by 0.29 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 3.9-4.0 7052/7059=84...(21) QG2 VAL 133 - H CYS 79 far 0 68 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 9698 from nnoeabs.peaks (0.82, 8.04, 116.97 ppm; 4.41 A): 1 out of 4 assignments used, quality = 0.73: QG2 ILE 80 + H CYS 79 OK 73 97 75 100 4.8-5.6 2.1/9700=75, 4.0/7066=68...(18) HG13 ILE 80 - H CYS 79 poor 20 100 20 99 3.6-6.6 3.0/9700=65, 2.1/9699=64...(19) QG1 VAL 133 - H CYS 79 far 0 95 0 - 6.6-8.8 QG2 ILE 129 - H CYS 79 far 0 100 0 - 8.1-8.9 Violated in 20 structures by 0.68 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 3.8-4.7 3.2/9700=71...(27) QG2 VAL 93 - H CYS 79 far 0 100 0 - 7.9-8.7 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 3 assignments used, quality = 0.94: HB ILE 80 + H CYS 79 OK 94 95 100 99 3.9-4.5 7073/7066=67...(15) HG3 ARG 90 - H CYS 79 far 0 87 0 - 7.6-9.6 HB2 LYS 39 - H CYS 79 far 0 97 0 - 8.4-11.6 Violated in 5 structures by 0.03 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 3.6-3.8 3.6/7059=82, 3.2/9696=72...(15) 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 4.0-4.2 9680=98, 7059/7066=76...(8) Violated in 0 structures by 0.00 A. Peak 9704 from nnoeabs.peaks (6.47, 6.96, 123.17 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 76 + H ILE 80 OK 100 100 100 100 3.9-4.5 9746/7077=80...(15) Violated in 0 structures by 0.00 A. Peak 9707 from nnoeabs.peaks (6.49, 8.04, 116.97 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + H CYS 79 OK 94 95 100 100 4.0-4.4 9681/7059=59...(18) QE TYR 76 + H CYS 79 OK 88 89 100 100 5.1-5.6 9706/7064=50...(18) 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 4.6-4.9 7052/9680=98...(11) QG2 VAL 133 + H ILE 80 OK 65 78 85 98 6.1-8.4 10588/7077=66...(8) 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 2 assignments used, quality = 0.81: HG2 LYS 86 + H ILE 80 OK 81 83 100 98 3.6-4.3 9720/7077=79...(6) QB ALA 34 - H ILE 80 far 0 78 0 - 7.7-12.1 Violated in 0 structures by 0.00 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 3.1-3.4 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 4.7-4.9 4.8=100 HA LYS 86 + H ILE 80 OK 84 85 100 99 5.0-6.0 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 4.0-4.3 3.6/7066=82, 2.9/9703=73...(5) HA CYS 73 - H ILE 80 far 0 98 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 9777 from nnoeabs.peaks (2.45, 9.00, 120.08 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.99: HG2 GLN 82 + H ARG 84 OK 94 94 100 100 3.2-5.4 2.9/9778=76...(13) HG3 GLN 82 + H ARG 84 OK 89 99 90 100 4.4-5.9 2.9/9778=76...(12) 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 = 0.97: HB2 GLN 82 + H ARG 84 OK 97 97 100 99 2.7-5.2 1.8/11198=63...(10) Violated in 1 structures by 0.04 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 3.6-4.2 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): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + H ASN 85 OK 100 100 100 100 3.3-3.6 11237/3.6=87...(16) HG13 ILE 80 + H ASN 85 OK 71 100 75 96 4.3-7.6 9207/3.6=49, 3.2/9741=42...(11) QG1 VAL 133 - H ASN 85 far 0 87 0 - 6.7-9.2 QG2 ILE 129 - H ASN 85 far 0 100 0 - 9.0-10.0 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 2 assignments used, quality = 0.98: HG3 GLN 82 + HD21 ASN 85 OK 90 100 90 100 3.2-5.6 2.9/9797=63, 2.9/9798=53...(22) HG2 GLN 82 + HD21 ASN 85 OK 77 97 80 100 2.7-5.8 2.9/9797=63, 2.9/9798=53...(23) Violated in 3 structures by 0.01 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 2.2-4.9 11238/1.7=71...(18) HB VAL 133 - HD21 ASN 85 far 4 81 5 - 5.0-8.6 Violated in 2 structures by 0.03 A. Peak 9798 from nnoeabs.peaks (2.08, 7.25, 114.49 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.92: HB3 GLN 82 + HD21 ASN 85 OK 90 95 95 100 1.9-5.1 9805/1.7=71, 1.8/9797=68...(20) HG3 PRO 81 + HD21 ASN 85 OK 27 65 80 51 2.3-6.0 9789/3.5=16, ~10238=10...(9) HG3 GLN 134 - HD21 ASN 85 far 0 100 0 - 6.6-10.4 HB3 LYS 39 - HD21 ASN 85 far 0 100 0 - 9.0-11.4 Violated in 1 structures by 0.04 A. Peak 9799 from nnoeabs.peaks (1.82, 7.25, 114.49 ppm; 5.12 A): 2 out of 4 assignments used, quality = 1.00: HB3 ARG 135 + HD21 ASN 85 OK 100 100 100 100 2.1-6.0 1.8/11279=89...(9) HB2 ARG 84 + HD21 ASN 85 OK 57 97 70 85 4.5-7.6 11364/9797=33...(16) HB2 LYS 86 - HD21 ASN 85 far 0 71 0 - 6.4-9.7 HB2 CYS 79 - HD21 ASN 85 far 0 85 0 - 9.3-11.8 Violated in 1 structures by 0.01 A. Peak 9800 from nnoeabs.peaks (1.69, 7.25, 114.49 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.76: HG2 ARG 135 + HD21 ASN 85 OK 76 85 90 100 2.4-6.8 2.9/11279=78...(11) HD3 LYS 39 - HD21 ASN 85 far 0 78 0 - 7.5-12.0 HD2 LYS 39 - HD21 ASN 85 far 0 93 0 - 8.6-11.3 Violated in 5 structures by 0.16 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 3.6-5.0 10535/3.5=73...(21) QG2 VAL 132 - HD21 ASN 85 far 0 100 0 - 5.9-7.4 HG2 LYS 39 - HD21 ASN 85 far 0 99 0 - 7.0-10.2 HG3 LYS 39 - HD21 ASN 85 far 0 92 0 - 7.7-11.0 Violated in 1 structures by 0.00 A. Peak 9802 from nnoeabs.peaks (0.83, 7.25, 114.49 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + HD21 ASN 85 OK 94 95 100 100 2.8-4.9 11237/3.5=74...(24) HG13 ILE 80 + HD21 ASN 85 OK 80 100 80 100 3.5-8.1 ~11222=41, ~9723=36...(24) QG1 VAL 133 - HD21 ASN 85 poor 20 97 35 58 4.4-7.6 ~11929=28, 11778/9801=12...(7) QG2 ILE 129 - HD21 ASN 85 far 0 100 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 9803 from nnoeabs.peaks (2.46, 8.08, 114.49 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.99: HG3 GLN 82 + HD22 ASN 85 OK 94 99 95 100 2.6-5.7 2.9/9805=71...(20) HG2 GLN 82 + HD22 ASN 85 OK 86 90 95 100 2.4-5.7 2.9/9805=71...(21) Violated in 0 structures by 0.00 A. Peak 9804 from nnoeabs.peaks (2.19, 8.08, 114.49 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.94: HB2 GLN 82 + HD22 ASN 85 OK 92 92 100 100 2.8-4.7 1.8/9805=99, 11238=78...(15) HB VAL 133 + HD22 ASN 85 OK 26 100 40 66 4.5-8.6 3.0/11929=44...(7) Violated in 0 structures by 0.00 A. Peak 9805 from nnoeabs.peaks (2.08, 8.08, 114.49 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLN 82 + HD22 ASN 85 OK 99 99 100 100 2.0-4.7 9798/1.7=62...(20) HG3 GLN 134 - HD22 ASN 85 far 0 100 0 - 7.4-10.4 HB3 LYS 39 - HD22 ASN 85 far 0 99 0 - 7.9-11.1 Violated in 1 structures by 0.02 A. Peak 9806 from nnoeabs.peaks (1.92, 8.08, 114.49 ppm; 6.13 A): 3 out of 3 assignments used, quality = 0.99: HB2 ARG 135 + HD22 ASN 85 OK 93 93 100 100 1.9-5.7 11279/1.7=90...(11) HB3 ARG 84 + HD22 ASN 85 OK 59 96 65 95 4.7-7.7 11320/4.5=52...(17) HB3 PRO 81 + HD22 ASN 85 OK 49 60 100 81 4.1-7.0 ~9789=24, ~9789=22...(9) 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 = 0.97: HB3 ARG 135 + HD22 ASN 85 OK 89 89 100 100 2.2-6.7 ~11279=86, 3.7/9816=71...(9) HB2 ARG 84 + HD22 ASN 85 OK 77 99 85 92 4.6-7.5 2541/5.3=29...(17) HB2 LYS 86 - HD22 ASN 85 far 0 99 0 - 7.6-9.7 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 6.3-6.8 2750/4.5=76, 9853/3.5=76...(8) HD2 LYS 86 - HD22 ASN 85 far 4 81 5 - 7.4-10.9 HD3 LYS 86 - HD22 ASN 85 far 4 81 5 - 7.7-11.0 HD2 LYS 39 - HD22 ASN 85 far 0 100 0 - 8.5-10.7 Violated in 1 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 3.6-5.0 9801/1.7=89...(22) QG2 VAL 132 + HD22 ASN 85 OK 40 100 40 100 5.7-7.3 ~9801=69, ~10535=60...(21) HG2 LYS 39 - HD22 ASN 85 far 0 100 0 - 6.5-11.1 HG3 LYS 39 - HD22 ASN 85 far 0 76 0 - 7.5-11.4 Violated in 0 structures by 0.00 A. Peak 9810 from nnoeabs.peaks (0.82, 8.08, 114.49 ppm; 4.97 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HD22 ASN 85 OK 98 98 100 100 2.2-5.2 11237/3.5=83...(26) HG13 ILE 80 + HD22 ASN 85 OK 75 100 75 100 3.1-6.5 ~11222=45, 9207/3.5=42...(24) QG1 VAL 133 + HD22 ASN 85 OK 31 93 55 60 4.2-8.0 3.2/11929=33...(7) QG2 ILE 129 - HD22 ASN 85 far 0 100 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 9813 from nnoeabs.peaks (0.83, 8.34, 124.24 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 80 + H LYS 86 OK 95 95 100 100 2.2-2.9 9753=86, 11237/4.4=46...(30) HG13 ILE 80 + H LYS 86 OK 75 100 75 100 3.2-6.3 3.2/9753=54, ~9727=40...(24) QD2 LEU 22 - H LYS 19 far 0 61 0 - 5.2-9.4 QG1 VAL 133 - H LYS 86 far 0 97 0 - 6.2-8.7 QG2 ILE 32 - H LYS 19 far 0 38 0 - 6.7-18.7 QG2 ILE 129 - H LYS 86 far 0 100 0 - 8.0-8.9 QD1 LEU 70 - H LYS 19 far 0 70 0 - 9.8-28.9 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 = 0.80: HD3 ARG 135 + HD22 ASN 85 OK 80 100 80 100 3.2-8.0 11885/1.7=96, ~9800=60...(10) HB2 PHE 87 - HD22 ASN 85 far 0 100 0 - 8.4-9.7 HB3 PHE 87 - HD22 ASN 85 far 0 100 0 - 9.2-10.9 Violated in 11 structures by 0.54 A. Peak 9817 from nnoeabs.peaks (3.24, 8.34, 124.24 ppm; 5.18 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 87 + H LYS 86 OK 99 99 100 100 4.6-4.9 4.0/7154=78...(13) HB3 PHE 87 + H LYS 86 OK 44 100 45 98 5.4-6.3 4.0/7154=78, 4.5/7175=52...(8) HD3 ARG 135 - H LYS 86 far 0 100 0 - 6.8-10.9 HB3 HIS 10 - H LYS 19 far 0 55 0 - 9.0-23.4 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 = 0.67: QG2 VAL 77 + H PHE 87 OK 67 68 100 98 4.4-5.3 9823/7157=59...(15) HG12 ILE 80 - H PHE 87 far 0 100 0 - 7.1-8.2 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 4.5-5.3 11748/3.6=86...(12) QG2 VAL 132 + H PHE 87 OK 92 99 100 92 6.3-6.9 10551/7171=54...(8) Violated in 0 structures by 0.00 A. Peak 9831 from nnoeabs.peaks (0.82, 8.12, 118.33 ppm; 5.67 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + H PHE 87 OK 98 98 100 100 4.4-5.4 9753/7154=83...(17) HG13 ILE 80 + H PHE 87 OK 65 100 70 93 5.3-8.4 11229/3.6=42...(11) QG1 VAL 133 - H PHE 87 far 0 93 0 - 7.7-10.0 QG2 ILE 129 - H PHE 87 far 0 100 0 - 8.4-9.3 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 4.9-5.8 2897/2.9=98...(14) HG2 LYS 86 + H PHE 89 OK 98 100 100 98 5.4-5.8 3.7/7190=73...(7) 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 3.4-4.1 10551=40, 9861/7195=28...(24) QG1 VAL 132 + H PHE 89 OK 94 95 100 99 2.4-3.1 11738/9869=35...(27) Violated in 0 structures by 0.00 A. Peak 9868 from nnoeabs.peaks (0.81, 8.69, 120.07 ppm; 5.45 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + H PHE 89 OK 99 100 100 99 5.1-5.9 3.1/9869=82...(15) QG2 ILE 129 + H PHE 89 OK 89 97 95 97 5.3-6.4 10457/6.2=49...(15) HG13 ILE 80 + H PHE 89 OK 70 95 75 99 4.9-7.6 2.1/9869=93, ~11233=37...(11) QG1 VAL 133 + H PHE 89 OK 21 68 35 88 5.5-8.2 10557/4.2=38, ~11758=32...(10) QD1 LEU 70 - H PHE 89 far 0 99 0 - 9.6-13.1 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 3.9-4.7 9747/4.2=56...(18) QG2 VAL 93 - H PHE 89 far 0 99 0 - 5.5-6.1 Violated in 2 structures by 0.01 A. Peak 9870 from nnoeabs.peaks (1.99, 8.69, 120.07 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 91 + H PHE 89 OK 100 100 100 100 4.4-6.2 2860/3.6=80...(6) HG2 ARG 90 + H PHE 89 OK 55 60 100 92 4.1-5.2 4.6/7209=71...(5) HB ILE 129 - H PHE 89 far 0 98 0 - 8.1-9.2 HG2 PRO 81 - H PHE 89 far 0 100 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 9893 from nnoeabs.peaks (1.44, 8.56, 117.97 ppm; 5.84 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 92 + H ARG 90 OK 99 99 100 100 5.1-5.5 2897/3.6=95, 3.0/7248=88...(14) HG2 LYS 86 + H ARG 90 OK 91 92 100 100 5.4-5.9 11742/11754=77...(7) Violated in 0 structures by 0.00 A. Peak 9894 from nnoeabs.peaks (1.16, 8.56, 117.97 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.92: QG2 VAL 77 + H ARG 90 OK 71 71 100 100 2.3-4.0 11931/7220=52, 11754=43...(20) QG1 VAL 132 + H ARG 90 OK 63 68 95 97 4.4-5.3 11738/11183=38...(16) QG2 VAL 132 + H ARG 90 OK 25 87 30 94 4.9-5.7 11663=36, 2.1/11663=30...(15) 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 4.2-4.9 9953/2.9=84, 9954/3.6=69...(20) QD1 ILE 80 + H ARG 90 OK 73 73 100 100 4.2-5.0 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 3 assignments used, quality = 0.00: HB3 LEU 70 - H GLU 91 far 0 76 0 - 9.8-14.1 HG2 ARG 135 - H GLU 91 far 0 85 0 - 9.8-13.2 HG LEU 98 - H GLU 91 far 0 87 0 - 10.0-12.5 Violated in 20 structures by 3.80 A. Peak 9902 from nnoeabs.peaks (1.44, 8.13, 119.27 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 92 + H GLU 91 OK 99 99 100 100 4.4-4.6 3.0/7250=82...(15) HG2 LYS 86 - H GLU 91 far 0 92 0 - 7.7-8.2 Violated in 20 structures by 0.07 A. Peak 9919 from nnoeabs.peaks (7.33, 8.13, 119.27 ppm; 5.51 A): 2 out of 3 assignments used, quality = 0.94: QD PHE 87 + H GLU 91 OK 87 87 100 100 4.1-6.2 2.5/11310=77...(10) HE ARG 90 + H GLU 91 OK 55 92 60 100 4.5-6.7 4.0/2822=76, 4.8/7233=73...(9) HZ PHE 89 - H GLU 91 far 0 57 0 - 8.7-9.7 Violated in 1 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 4.5-5.9 9226/7279=75...(20) HG2 GLU 91 + H VAL 93 OK 100 100 100 100 4.3-4.9 7254/7258=94...(8) HB3 GLU 128 - H VAL 93 far 15 99 15 - 5.3-8.1 HB3 GLU 97 - H VAL 93 far 0 90 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 9930 from nnoeabs.peaks (3.25, 7.82, 123.43 ppm; 5.89 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 93 + H ALA 92 OK 100 100 100 100 4.9-5.1 2.9/7258=100, 11423=97...(20) HB3 PHE 87 - H ALA 92 far 0 85 0 - 6.9-7.7 HB2 PHE 87 - H ALA 92 far 0 76 0 - 7.8-8.8 HD3 ARG 135 - H ALA 92 far 0 85 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 9933 from nnoeabs.peaks (1.14, 7.82, 123.43 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + H ALA 92 OK 100 100 100 100 4.2-5.0 9947/7257=90, ~10082=49...(16) QG1 VAL 132 + H ALA 92 OK 89 99 90 100 5.2-6.1 ~9947=59, ~10082=49...(16) Violated in 0 structures by 0.00 A. Peak 9934 from nnoeabs.peaks (0.75, 7.82, 123.43 ppm; 4.88 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 93 + H ALA 92 OK 100 100 100 100 5.4-5.6 2.1/9936=89, 2.1/9939=80...(20) HG12 ILE 129 + H ALA 92 OK 25 100 25 100 3.8-7.0 10483/7257=71, ~10491=61...(22) QD2 LEU 96 - H ALA 92 far 5 100 5 - 5.7-6.8 QD1 LEU 96 - H ALA 92 far 0 71 0 - 8.0-8.6 QD2 LEU 43 - H ALA 92 far 0 99 0 - 9.9-11.0 Violated in 15 structures by 0.28 A. Peak 9936 from nnoeabs.peaks (0.29, 7.82, 123.43 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + H ALA 92 OK 100 100 100 100 3.7-4.6 9922=73, 2918/7258=72...(20) QD1 ILE 80 - H ALA 92 far 0 83 0 - 6.8-7.7 Violated in 17 structures by 0.17 A. Peak 9938 from nnoeabs.peaks (1.66, 7.82, 123.43 ppm; 4.50 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 88 + H ALA 92 OK 100 100 100 100 4.2-5.0 2.1/7246=70...(11) HD2 LYS 95 + H ALA 92 OK 47 97 50 97 4.5-7.2 3.0/11351=34, ~9950=32...(24) HD3 LYS 95 + H ALA 92 OK 44 100 45 97 4.4-6.9 3.0/11351=34, ~9950=32...(24) HB2 LEU 98 - H ALA 92 far 0 96 0 - 9.7-12.6 HB2 LEU 69 - H ALA 92 far 0 100 0 - 9.8-13.7 Violated in 3 structures by 0.01 A. Peak 9939 from nnoeabs.peaks (1.84, 7.82, 123.43 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.92: HB VAL 93 + H ALA 92 OK 92 92 100 100 4.2-4.5 2.1/9936=85, 4.0/7258=71...(18) Violated in 0 structures by 0.00 A. Peak 9964 from nnoeabs.peaks (1.97, 8.43, 119.94 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.94: HB3 ARG 90 + H VAL 93 OK 81 85 100 95 4.6-5.7 3.0/2792=78, 4.4/7263=58...(4) HB2 GLU 91 + H VAL 93 OK 69 71 100 97 5.4-5.9 4.6/7258=70, 4.0/7263=62...(6) Violated in 2 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 2.5-3.2 9967/2918=89...(18) QD1 LEU 42 - H VAL 93 far 0 100 0 - 7.3-8.1 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 4.1-5.4 9226/3.4=59, 4.4/7308=52...(25) HB3 GLU 97 - H LYS 95 far 15 99 15 - 5.3-7.2 HG2 GLU 91 - H LYS 95 far 0 100 0 - 6.2-7.0 HB3 GLU 128 - H LYS 95 far 0 100 0 - 7.4-9.9 Violated in 2 structures by 0.04 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 lone 8 99 45 18 6.8-9.2 11701/3.1=16 Violated in 20 structures by 1.20 A. Peak 9978 from nnoeabs.peaks (2.87, 7.71, 121.43 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + H LYS 95 OK 99 99 100 100 4.2-5.4 6.7=100 HE2 LYS 95 + H LYS 95 OK 99 99 100 100 4.2-5.3 6.7=100 Violated in 0 structures by 0.00 A. Peak 9979 from nnoeabs.peaks (0.87, 7.71, 121.43 ppm; 5.06 A): 3 out of 4 assignments used, quality = 1.00: QD2 LEU 98 + H LYS 95 OK 99 99 100 100 3.9-5.0 11470/2.9=93, ~11468=59...(46) QD1 LEU 98 + H LYS 95 OK 65 99 65 100 4.8-6.7 11469/2.9=86, ~11470=66...(44) QD2 LEU 70 + H LYS 95 OK 42 96 45 99 5.5-6.7 11083/3.1=76...(12) QD2 LEU 69 - H LYS 95 far 0 100 0 - 8.6-10.6 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 = 0.99: QG1 VAL 93 + H LYS 95 OK 95 95 100 100 4.2-4.5 2.1/11342=69...(29) QD2 LEU 96 + H LYS 95 OK 79 93 85 100 4.7-5.6 3.2/9975=56...(24) QD1 LEU 96 - H LYS 95 far 0 98 0 - 6.0-6.4 QD2 LEU 122 - H LYS 95 far 0 73 0 - 6.5-9.4 HG12 ILE 129 - H LYS 95 far 0 95 0 - 6.7-7.8 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 5.1-5.5 2.1/11342=94...(29) QD1 ILE 80 - H LYS 95 far 0 96 0 - 10.0-10.8 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 3.8-4.3 10461/7311=59...(19) QD1 LEU 42 - H LEU 96 far 0 97 0 - 9.1-9.9 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 4.7-5.0 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 2 assignments used, quality = 0.00: HB2 CYS 73 - H LEU 96 far 8 78 10 - 7.5-8.6 HB2 ASN 121 - H LEU 96 lone 3 60 65 7 6.7-8.9 10300/2.9=2...(3) Violated in 13 structures by 0.15 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 5.1-5.7 9982/7330=82...(11) QD1 LEU 42 - H GLU 97 far 0 100 0 - 9.0-10.1 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 5.0-5.6 11425/7330=97...(17) Violated in 0 structures by 0.00 A. Peak 9997 from nnoeabs.peaks (1.67, 8.50, 119.00 ppm; 5.53 A): 3 out of 4 assignments used, quality = 0.99: HB2 LEU 98 + H GLU 97 OK 93 93 100 100 4.4-6.3 3.0/10021=84...(10) HD3 LYS 95 + H GLU 97 OK 66 99 75 89 5.8-7.7 5.0/11341=54...(8) HD2 LYS 95 + H GLU 97 OK 60 96 70 90 5.8-7.6 5.0/11341=54...(8) HB2 LEU 69 - H GLU 97 far 5 100 5 - 6.1-10.3 Violated in 2 structures by 0.00 A. Peak 9998 from nnoeabs.peaks (1.78, 8.50, 119.00 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.99: HB3 LEU 98 + H GLU 97 OK 99 99 100 100 4.4-6.1 7364/3.9=80...(12) HG LEU 100 + H GLU 97 OK 35 100 35 100 5.3-7.3 ~10036=64, ~10001=62...(22) HB3 LEU 122 + H GLU 97 OK 22 90 40 61 5.5-9.0 3858/3.6=24, 3.0/7338=15...(9) HB3 LEU 103 - H GLU 97 far 0 92 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 10018 from nnoeabs.peaks (1.39, 7.74, 119.22 ppm; 5.15 A): 4 out of 6 assignments used, quality = 1.00: HG LEU 96 + H LEU 98 OK 99 100 100 99 4.6-5.2 11461/7358=58...(13) HB3 LEU 100 + H LEU 98 OK 71 93 85 90 4.6-6.6 3.9/7390=38, 3240/3.6=29...(14) HB2 LEU 96 + H LEU 98 OK 59 95 70 89 5.3-6.3 3.8/7331=39, 3.0/7355=37...(13) HG3 LYS 95 + H LEU 98 OK 58 99 85 69 5.6-7.1 3.9/2961=59, 2998/3.8=9...(5) HG2 LYS 95 - H LEU 98 far 0 99 0 - 6.3-7.2 QB ALA 108 - H LEU 98 far 0 98 0 - 9.0-16.2 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 9 assignments used, quality = 0.90: QD2 LEU 122 + H LEU 100 OK 80 90 90 99 2.2-5.2 11489/2.9=28...(42) QD1 LEU 122 + H LEU 100 OK 48 100 50 97 2.5-5.5 9487/7401=24...(38) QD1 LEU 103 - H LEU 100 far 4 81 5 - 4.1-6.4 QD1 LEU 70 - H LEU 100 far 0 90 0 - 5.0-6.9 QG1 VAL 63 - H LEU 100 far 0 83 0 - 5.7-8.0 QD2 LEU 49 - H LEU 100 far 0 99 0 - 6.2-8.0 QD1 LEU 53 - H LEU 100 far 0 98 0 - 7.0-11.7 QD2 LEU 119 - H LEU 100 far 0 100 0 - 7.2-10.2 QG2 ILE 129 - H LEU 100 far 0 85 0 - 9.7-11.3 Violated in 1 structures by 0.03 A. Peak 10027 from nnoeabs.peaks (2.22, 8.49, 120.88 ppm; 5.06 A): 1 out of 6 assignments used, quality = 0.98: HB3 GLU 97 + H LEU 100 OK 98 100 100 98 4.9-5.8 3.0/3114=42...(18) HB2 GLN 101 - H LEU 100 far 14 96 15 - 5.7-6.4 HB3 GLU 102 - H LEU 100 far 5 97 5 - 4.9-7.4 HB3 LEU 96 - H LEU 100 far 4 87 5 - 5.9-7.0 HB3 GLN 104 - H LEU 100 far 0 100 0 - 6.2-9.8 HB2 GLN 104 - H LEU 100 far 0 60 0 - 7.9-9.6 Violated in 16 structures by 0.29 A. Peak 10047 from nnoeabs.peaks (8.11, 8.49, 120.88 ppm; 6.02 A): 1 out of 3 assignments used, quality = 0.62: H LEU 103 + H LEU 100 OK 62 63 100 99 4.4-5.2 3.0/7444=85, ~7445=60...(9) H ASN 121 - H LEU 100 far 0 97 0 - 7.3-9.1 H ALA 108 - H LEU 100 far 0 60 0 - 8.9-13.9 Violated in 0 structures by 0.00 A. Peak 10057 from nnoeabs.peaks (0.87, 6.79, 111.00 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.69: QD1 LEU 98 + HE21 GLN 101 OK 69 97 75 95 2.1-5.0 10059/1.7=59...(8) QD2 LEU 98 - HE21 GLN 101 far 10 100 10 - 2.5-6.5 QD2 LEU 70 - HE21 GLN 101 far 0 89 0 - 6.2-9.0 QG1 VAL 118 - HE21 GLN 101 far 0 68 0 - 8.3-9.8 Violated in 5 structures by 0.30 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: QG2 VAL 105 - HE21 GLN 101 far 3 63 5 - 4.6-8.4 QG1 VAL 105 - HE21 GLN 101 far 0 90 0 - 5.4-9.4 Violated in 19 structures by 1.76 A. Peak 10059 from nnoeabs.peaks (0.86, 7.38, 111.00 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 98 + HE22 GLN 101 OK 98 100 100 98 1.9-4.6 10057/1.7=75...(7) QD2 LEU 98 - HE22 GLN 101 poor 17 97 25 69 2.1-6.6 ~10057=49, 4.0/7435=39 QD2 LEU 70 - HE22 GLN 101 far 0 98 0 - 4.9-8.7 Violated in 5 structures by 0.09 A. Peak 10060 from nnoeabs.peaks (0.97, 7.38, 111.00 ppm; 4.23 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 105 - HE22 GLN 101 far 14 95 15 - 4.7-9.4 QG2 VAL 126 - HE22 GLN 101 far 0 98 0 - 8.7-11.4 Violated in 20 structures by 2.40 A. Peak 10065 from nnoeabs.peaks (1.00, 7.85, 118.36 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 105 + H GLU 102 OK 100 100 100 100 3.4-4.1 10086/2.9=72...(20) QG2 VAL 118 + H GLU 102 OK 50 100 50 100 3.7-5.5 2.1/10067=66...(14) Violated in 2 structures by 0.00 A. Peak 10066 from nnoeabs.peaks (1.58, 7.85, 118.36 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.99: HB2 LEU 103 + H GLU 102 OK 99 99 100 100 4.2-5.2 ~7474=55, 1.8/11410=53...(21) HG LEU 103 - H GLU 102 far 10 65 15 - 4.0-6.9 HG LEU 122 - H GLU 102 far 0 81 0 - 6.3-8.6 HB2 LEU 122 - H GLU 102 far 0 71 0 - 6.4-9.7 HG LEU 70 - H GLU 102 far 0 63 0 - 7.7-11.2 Violated in 4 structures by 0.06 A. Peak 10067 from nnoeabs.peaks (0.89, 7.85, 118.36 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.94: QG1 VAL 118 + H GLU 102 OK 94 100 95 99 3.3-5.0 11606/3.8=49...(16) QG2 VAL 63 - H GLU 102 far 0 90 0 - 5.3-7.1 QD2 LEU 98 - H GLU 102 far 0 87 0 - 6.3-7.6 QD1 LEU 62 - H GLU 102 far 0 85 0 - 7.7-10.6 QD2 LEU 69 - H GLU 102 far 0 71 0 - 9.3-12.4 QD1 LEU 49 - H GLU 102 far 0 87 0 - 9.6-12.1 Violated in 14 structures by 0.42 A. Peak 10068 from nnoeabs.peaks (0.79, 7.85, 118.36 ppm; 4.67 A): 2 out of 8 assignments used, quality = 0.90: QD1 LEU 103 + H GLU 102 OK 80 100 80 100 3.1-6.0 3396/3.0=77...(21) QD2 LEU 122 + H GLU 102 OK 49 100 55 89 4.4-8.6 11398/3.1=36...(14) QD1 LEU 122 - H GLU 102 far 12 81 15 - 4.5-8.2 QG1 VAL 63 - H GLU 102 far 0 100 0 - 5.6-7.4 QD1 LEU 96 - H GLU 102 far 0 93 0 - 6.6-8.1 QD2 LEU 119 - H GLU 102 far 0 92 0 - 7.4-11.3 QD2 LEU 49 - H GLU 102 far 0 97 0 - 8.7-11.1 QD1 LEU 53 - H GLU 102 far 0 99 0 - 9.9-14.7 Violated in 16 structures by 0.29 A. Peak 10070 from nnoeabs.peaks (1.00, 7.90, 117.67 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 105 + H GLN 104 OK 97 100 100 97 3.2-4.0 3478/7499=67, 3483=48...(8) QG2 VAL 118 - H GLN 104 far 0 97 0 - 4.9-6.5 Violated in 10 structures by 0.04 A. Peak 10073 from nnoeabs.peaks (0.91, 6.96, 111.83 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.90: QG2 VAL 63 + HE21 GLN 104 OK 90 100 90 100 2.3-5.8 2.1/10074=87...(18) QG1 VAL 118 - HE21 GLN 104 far 0 99 0 - 5.4-9.8 QD1 LEU 62 - HE21 GLN 104 far 0 99 0 - 6.7-11.5 QD1 LEU 49 - HE21 GLN 104 far 0 99 0 - 6.8-14.4 QD1 LEU 22 - HE21 GLN 104 far 0 96 0 - 9.2-37.1 QD1 LEU 48 - HE21 GLN 104 far 0 89 0 - 9.7-16.0 Violated in 9 structures by 0.26 A. Peak 10074 from nnoeabs.peaks (0.79, 6.96, 111.83 ppm; 3.83 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 63 + HE21 GLN 104 OK 99 99 100 100 1.9-4.4 10078/1.7=71...(17) QD1 LEU 122 - HE21 GLN 104 far 5 90 5 - 4.6-11.6 QD1 LEU 70 - HE21 GLN 104 far 3 63 5 - 4.2-11.8 QD2 LEU 122 - HE21 GLN 104 far 0 100 0 - 4.8-11.5 QD1 LEU 103 - HE21 GLN 104 far 0 98 0 - 5.1-8.8 QD1 LEU 96 - HE21 GLN 104 far 0 85 0 - 5.5-11.8 QD2 LEU 49 - HE21 GLN 104 far 0 99 0 - 6.0-12.8 QD2 LEU 119 - HE21 GLN 104 far 0 97 0 - 7.5-13.6 QD1 LEU 53 - HE21 GLN 104 far 0 100 0 - 8.3-17.2 Violated in 7 structures by 0.14 A. Peak 10076 from nnoeabs.peaks (1.39, 7.43, 111.83 ppm; 5.53 A): 1 out of 11 assignments used, quality = 0.41: HB3 LEU 100 + HE22 GLN 104 OK 41 99 45 92 3.5-9.4 10964/10078=77...(5) QB ALA 108 - HE22 GLN 104 far 5 100 5 - 5.6-10.4 QB ALA 110 - HE22 GLN 104 far 0 100 0 - 8.1-13.9 QB ALA 12 - HE22 GLN 104 far 0 63 0 - 8.2-40.3 QB ALA 15 - HE22 GLN 104 far 0 100 0 - 8.3-36.7 QB ALA 109 - HE22 GLN 104 far 0 100 0 - 8.4-11.4 QB ALA 16 - HE22 GLN 104 far 0 89 0 - 8.8-36.6 HG LEU 96 - HE22 GLN 104 far 0 97 0 - 9.4-14.1 HB2 LEU 96 - HE22 GLN 104 far 0 99 0 - 9.9-15.2 QB ALA 28 - HE22 GLN 104 far 0 100 0 - 9.9-28.3 QB ALA 29 - HE22 GLN 104 far 0 99 0 - 9.9-26.4 Violated in 17 structures by 1.55 A. Peak 10077 from nnoeabs.peaks (0.91, 7.43, 111.83 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 63 + HE22 GLN 104 OK 100 100 100 100 1.8-4.7 2.1/10078=87...(22) QG1 VAL 118 - HE22 GLN 104 far 10 97 10 - 5.2-8.5 QD1 LEU 62 - HE22 GLN 104 far 0 100 0 - 7.0-10.3 QD1 LEU 49 - HE22 GLN 104 far 0 100 0 - 7.7-14.0 QD1 LEU 22 - HE22 GLN 104 far 0 90 0 - 9.7-37.6 Violated in 2 structures by 0.03 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 1.8-4.1 10074/1.7=63, 9405=53...(18) QD1 LEU 103 - HE22 GLN 104 far 10 100 10 - 4.5-7.8 QD1 LEU 122 - HE22 GLN 104 far 0 63 0 - 5.2-10.9 QD2 LEU 122 - HE22 GLN 104 far 0 99 0 - 5.4-10.5 QD2 LEU 49 - HE22 GLN 104 far 0 87 0 - 6.7-12.5 QD1 LEU 96 - HE22 GLN 104 far 0 99 0 - 6.8-11.2 QD2 LEU 119 - HE22 GLN 104 far 0 78 0 - 6.9-12.3 QD1 LEU 53 - HE22 GLN 104 far 0 92 0 - 8.9-15.8 Violated in 3 structures by 0.03 A. Peak 10101 from nnoeabs.peaks (1.39, 8.23, 117.55 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 108 + H SER 107 OK 98 99 100 100 3.9-4.8 7559/7554=87...(10) QB ALA 109 - H SER 107 far 10 100 10 - 4.7-7.8 QB ALA 110 - H SER 107 far 5 97 5 - 5.1-10.3 HB3 LEU 100 - H SER 107 far 0 95 0 - 9.0-11.3 Violated in 6 structures by 0.02 A. Peak 10102 from nnoeabs.peaks (0.94, 8.23, 117.55 ppm; 5.39 A): 2 out of 5 assignments used, quality = 0.89: QG1 VAL 105 + H SER 107 OK 73 73 100 99 5.0-5.7 4.4/7543=78, 11448=61...(8) QG2 VAL 63 + H SER 107 OK 58 71 95 86 3.9-6.7 11853/4.1=55...(8) QD1 LEU 119 - H SER 107 far 5 99 5 - 5.9-10.7 QG2 VAL 112 - H SER 107 far 0 96 0 - 6.8-9.8 QD1 LEU 62 - H SER 107 far 0 78 0 - 7.1-10.1 Violated in 0 structures by 0.00 A. Peak 10103 from nnoeabs.peaks (0.79, 8.23, 117.55 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.98: QD1 LEU 103 + H SER 107 OK 94 95 100 100 4.0-6.5 11486/7554=94...(14) QG1 VAL 63 + H SER 107 OK 63 96 100 66 4.9-7.4 2.1/10102=44...(6) QD2 LEU 122 - H SER 107 far 5 99 5 - 6.7-12.0 QD2 LEU 119 - H SER 107 lone 4 99 45 10 5.2-11.3 10096/4.5=4, 3409/11715=2 QD1 LEU 122 - H SER 107 far 0 96 0 - 8.2-11.2 QD1 LEU 53 - H SER 107 far 0 100 0 - 9.7-16.6 Violated in 0 structures by 0.00 A. Peak 10118 from nnoeabs.peaks (0.92, 8.08, 123.00 ppm; 4.57 A): 1 out of 5 assignments used, quality = 0.95: QG2 VAL 112 + H ALA 109 OK 95 100 95 100 3.8-6.4 11771/3.0=86...(14) QG2 VAL 63 - H ALA 109 far 5 98 5 - 5.2-9.0 QG1 VAL 118 - H ALA 109 far 4 83 5 - 5.0-10.5 QD1 LEU 119 - H ALA 109 far 0 78 0 - 6.2-9.9 QD1 LEU 62 - H ALA 109 far 0 99 0 - 7.7-10.3 Violated in 13 structures by 0.27 A. Peak 10121 from nnoeabs.peaks (0.95, 8.30, 108.05 ppm; 3.93 A): 1 out of 6 assignments used, quality = 0.68: QG2 VAL 112 + H GLY 111 OK 68 73 100 92 2.3-4.1 10661/3.0=54...(11) QG1 VAL 112 - H GLY 111 far 12 83 15 - 4.3-6.0 QD1 LEU 119 - H GLY 111 far 0 99 0 - 5.4-8.8 QG1 VAL 57 - H GLY 111 far 0 100 0 - 6.7-13.0 QD2 LEU 53 - H GLY 111 far 0 85 0 - 8.9-14.8 QG1 VAL 105 - H GLY 111 far 0 96 0 - 9.7-13.5 Violated in 1 structures by 0.01 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 4.4-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 10136 from nnoeabs.peaks (1.39, 7.93, 120.44 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 109 + H VAL 112 OK 94 100 95 99 2.0-6.4 10135/7589=64...(10) QB ALA 110 + H VAL 112 OK 68 98 75 93 2.7-5.7 3.7/7581=72...(5) QB ALA 108 - H VAL 112 far 5 99 5 - 4.5-8.0 Violated in 0 structures by 0.00 A. Peak 10159 from nnoeabs.peaks (1.13, 8.57, 108.97 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + H GLY 114 OK 100 100 100 100 4.1-4.9 7607/7602=88...(17) HB3 LEU 62 - H GLY 114 far 0 97 0 - 8.5-13.7 Violated in 11 structures by 0.07 A. Peak 10160 from nnoeabs.peaks (0.93, 8.57, 108.97 ppm; 3.79 A): 1 out of 7 assignments used, quality = 0.85: QD1 LEU 119 + H GLY 114 OK 85 97 95 93 2.8-5.2 10166/7602=42...(12) QD1 LEU 62 - H GLY 114 far 4 89 5 - 4.3-9.3 QG1 VAL 57 - H GLY 114 far 0 87 0 - 5.9-12.3 QG2 VAL 112 - H GLY 114 far 0 99 0 - 6.3-7.2 QG2 VAL 63 - H GLY 114 far 0 83 0 - 9.6-13.5 QD1 LEU 49 - H GLY 114 far 0 87 0 - 9.7-14.4 QD1 LEU 123 - H GLY 114 far 0 100 0 - 9.8-12.7 Violated in 13 structures by 0.24 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 2.9-7.1 2.1/10160=100...(13) QD1 LEU 103 - H GLY 114 poor 13 96 30 46 6.9-12.2 10195/10159=44 QD1 LEU 53 - H GLY 114 lone 1 100 20 3 6.5-12.7 QD1 LEU 122 - H GLY 114 far 0 95 0 - 8.7-12.6 QD2 LEU 122 - H GLY 114 far 0 99 0 - 8.9-13.9 Violated in 3 structures by 0.02 A. Peak 10166 from nnoeabs.peaks (0.94, 7.90, 111.39 ppm; 3.74 A): 1 out of 7 assignments used, quality = 0.79: QD1 LEU 119 + H THR 115 OK 79 100 80 99 1.8-5.7 10160/7602=50...(13) QG1 VAL 112 - H THR 115 poor 19 63 35 88 3.0-5.8 10194/7607=34...(13) QD1 LEU 62 - H THR 115 far 0 68 0 - 4.9-8.9 QD2 LEU 53 - H THR 115 far 0 65 0 - 5.2-11.7 QG2 VAL 112 - H THR 115 far 0 90 0 - 5.4-6.9 QG1 VAL 57 - H THR 115 far 0 98 0 - 8.3-13.2 QG2 VAL 63 - H THR 115 far 0 60 0 - 9.0-12.2 Violated in 6 structures by 0.36 A. Peak 10168 from nnoeabs.peaks (1.91, 7.90, 111.39 ppm; 6.16 A): 2 out of 4 assignments used, quality = 0.87: HB2 PRO 113 + H THR 115 OK 80 100 80 100 4.4-7.5 7592/7600=97...(13) HG2 PRO 113 + H THR 115 OK 34 78 45 97 4.3-8.4 ~11939=76, 3617/7602=49...(11) HG LEU 53 - H THR 115 far 0 68 0 - 8.5-15.4 HB3 LEU 123 - H THR 115 far 0 62 0 - 9.5-15.1 Violated in 9 structures by 0.18 A. Peak 10169 from nnoeabs.peaks (2.09, 7.90, 111.39 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.76: HB VAL 112 + H THR 115 OK 76 76 100 100 4.2-5.8 10185/7607=93, ~11577=63...(8) HB VAL 57 - H THR 115 far 0 100 0 - 8.6-14.3 HB3 GLN 61 - H THR 115 far 0 99 0 - 10.0-15.4 Violated in 1 structures by 0.01 A. Peak 10173 from nnoeabs.peaks (2.85, 7.90, 111.39 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 116 + H THR 115 OK 100 100 100 100 3.6-5.1 7615/7608=92...(11) HB3 ASN 59 - H THR 115 far 0 78 0 - 7.0-12.8 Violated in 6 structures by 0.02 A. Peak 10176 from nnoeabs.peaks (4.97, 7.90, 111.39 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + H THR 115 OK 100 100 100 100 4.3-5.5 2.9/7608=95...(12) Violated in 5 structures by 0.11 A. Peak 10197 from nnoeabs.peaks (3.96, 8.45, 123.09 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.98: HD3 PRO 117 + H ASN 116 OK 98 98 100 100 4.1-4.8 3670/2.9=78, 4.8=76...(22) HA3 GLY 111 - H ASN 116 far 5 90 5 - 4.9-10.8 HA2 GLY 111 - H ASN 116 far 0 57 0 - 5.7-11.2 HD3 PRO 113 - H ASN 116 far 0 73 0 - 5.8-8.9 HB3 SER 107 - H ASN 116 far 0 100 0 - 6.7-15.3 HB2 SER 106 - H ASN 116 far 0 100 0 - 6.8-14.7 HB3 SER 106 - H ASN 116 far 0 89 0 - 7.7-13.6 Violated in 16 structures by 0.33 A. Peak 10198 from nnoeabs.peaks (3.86, 8.45, 123.09 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 117 + H ASN 116 OK 100 100 100 100 3.3-5.0 3667/2.9=78...(21) HA2 GLY 114 + H ASN 116 OK 80 81 100 99 3.6-5.1 3.6/7608=74...(7) Violated in 1 structures by 0.00 A. Peak 10199 from nnoeabs.peaks (2.04, 8.45, 123.09 ppm; 5.27 A): 1 out of 5 assignments used, quality = 0.56: HB VAL 118 + H ASN 116 OK 56 89 65 97 5.0-6.8 ~10276=52, ~10276=37...(10) HG3 PRO 117 - H ASN 116 poor 19 97 20 - 5.6-7.1 HG3 PRO 113 - H ASN 116 poor 16 81 20 - 4.4-8.5 HG2 PRO 117 - H ASN 116 far 14 93 15 - 5.9-6.8 HB2 LEU 62 - H ASN 116 far 0 89 0 - 8.1-11.2 Violated in 16 structures by 0.71 A. Peak 10202 from nnoeabs.peaks (2.05, 7.01, 113.21 ppm; 5.06 A): 2 out of 7 assignments used, quality = 1.00: HB VAL 118 + HD21 ASN 116 OK 100 100 100 100 1.9-5.3 ~10278=71, 2.1/11532=63...(15) HG2 PRO 117 + HD21 ASN 116 OK 29 100 30 98 4.8-7.3 2.3/10210=58, ~10214=47...(11) HB2 LEU 62 - HD21 ASN 116 poor 19 100 30 63 4.9-8.7 9395/11425=34...(5) HB2 GLU 102 - HD21 ASN 116 far 10 65 15 - 5.1-11.4 HG3 PRO 117 - HD21 ASN 116 far 0 100 0 - 6.1-8.5 HG3 PRO 113 - HD21 ASN 116 far 0 99 0 - 7.3-11.8 HG2 PRO 58 - HD21 ASN 116 far 0 63 0 - 9.8-14.0 Violated in 1 structures by 0.01 A. Peak 10204 from nnoeabs.peaks (2.06, 7.92, 113.21 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.99: HB VAL 118 + HD22 ASN 116 OK 99 99 100 99 1.8-5.0 2.1/10278=59...(15) HG2 PRO 117 + HD22 ASN 116 OK 42 98 45 95 4.4-7.3 2.3/10214=50...(10) HB2 GLU 102 - HD22 ASN 116 far 13 85 15 - 4.7-11.5 HG3 PRO 117 - HD22 ASN 116 far 0 96 0 - 5.6-8.0 HB2 LEU 62 - HD22 ASN 116 far 0 99 0 - 6.4-10.3 HG3 PRO 113 - HD22 ASN 116 far 0 100 0 - 7.1-12.4 HB VAL 57 - HD22 ASN 116 far 0 65 0 - 8.5-14.7 Violated in 2 structures by 0.02 A. Peak 10210 from nnoeabs.peaks (3.95, 7.01, 113.21 ppm; 5.29 A): 1 out of 8 assignments used, quality = 1.00: HD3 PRO 117 + HD21 ASN 116 OK 100 100 100 100 3.7-6.1 3670/4.6=75...(13) HA2 GLY 111 - HD21 ASN 116 poor 16 78 20 - 4.4-11.4 HA3 GLY 111 - HD21 ASN 116 far 15 99 15 - 3.9-13.0 HB3 SER 106 - HD21 ASN 116 poor 9 71 50 26 4.0-9.4 10096/11425=15...(4) HB2 SER 106 - HD21 ASN 116 poor 6 95 30 22 2.5-9.3 10106/11425=14...(4) HA LEU 100 - HD21 ASN 116 far 5 99 5 - 5.9-10.3 HB3 SER 107 - HD21 ASN 116 lone 5 99 25 19 4.6-11.4 10106/11425=10...(3) HD3 PRO 113 - HD21 ASN 116 far 0 90 0 - 6.7-12.4 Violated in 9 structures by 0.21 A. Peak 10211 from nnoeabs.peaks (4.29, 7.01, 113.21 ppm; 5.82 A): 0 out of 4 assignments used, quality = 0.00: HA ALA 110 - HD21 ASN 116 far 10 100 10 - 5.4-13.1 HA ALA 108 - HD21 ASN 116 far 10 96 10 - 4.1-11.9 HA ALA 109 - HD21 ASN 116 far 10 96 10 - 4.6-10.6 HB THR 115 - HD21 ASN 116 far 9 92 10 - 6.4-9.6 Violated in 15 structures by 0.73 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: HA ALA 109 - HD22 ASN 116 far 10 97 10 - 4.6-11.4 HA ALA 108 - HD22 ASN 116 far 10 97 10 - 4.8-13.1 HA ALA 110 - HD22 ASN 116 far 0 100 0 - 6.4-13.3 HB THR 115 - HD22 ASN 116 far 0 93 0 - 6.8-9.6 Violated in 17 structures by 1.72 A. Peak 10213 from nnoeabs.peaks (3.92, 7.92, 113.21 ppm; 5.80 A): 1 out of 6 assignments used, quality = 0.65: HD3 PRO 117 + HD22 ASN 116 OK 65 65 100 100 3.4-5.5 1.8/10214=83...(15) HA3 GLY 111 - HD22 ASN 116 far 12 83 15 - 3.6-13.6 HA2 GLY 111 - HD22 ASN 116 poor 6 99 25 23 3.6-12.9 10677/10220=21 HD3 PRO 113 - HD22 ASN 116 far 5 96 5 - 5.8-13.3 HB2 SER 107 - HD22 ASN 116 lone 3 100 25 12 4.2-13.3 10109/10220=6, ~10210=3 HB2 SER 60 - HD22 ASN 116 far 0 89 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 10214 from nnoeabs.peaks (3.85, 7.92, 113.21 ppm; 5.80 A): 1 out of 4 assignments used, quality = 1.00: HD2 PRO 117 + HD22 ASN 116 OK 100 100 100 100 4.7-6.4 3667/4.6=84...(11) HA2 GLY 114 - HD22 ASN 116 poor 13 63 20 - 5.5-9.1 HA LEU 62 - HD22 ASN 116 far 0 98 0 - 9.0-13.0 HA LEU 123 - HD22 ASN 116 far 0 99 0 - 9.9-14.5 Violated in 11 structures by 0.18 A. Peak 10216 from nnoeabs.peaks (1.61, 7.01, 113.21 ppm; 5.56 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 119 + HD21 ASN 116 OK 99 99 100 100 1.9-5.4 10221/1.7=97...(15) HG LEU 122 - HD21 ASN 116 far 14 97 15 - 6.2-10.9 HB2 LEU 122 - HD21 ASN 116 far 5 99 5 - 6.4-12.9 Violated in 0 structures by 0.00 A. Peak 10217 from nnoeabs.peaks (1.39, 7.01, 113.21 ppm; 4.82 A): 1 out of 4 assignments used, quality = 0.56: QB ALA 109 + HD21 ASN 116 OK 56 100 60 93 2.4-7.7 10220/1.7=69...(8) QB ALA 108 - HD21 ASN 116 poor 20 99 20 - 2.9-9.8 QB ALA 110 - HD21 ASN 116 far 10 98 10 - 2.4-11.6 HB3 LEU 100 - HD21 ASN 116 far 0 96 0 - 8.9-13.3 Violated in 12 structures by 1.00 A. Peak 10218 from nnoeabs.peaks (0.94, 7.01, 113.21 ppm; 4.16 A): 1 out of 9 assignments used, quality = 1.00: QD1 LEU 119 + HD21 ASN 116 OK 100 100 100 100 2.1-4.3 10222/1.7=80...(12) QD1 LEU 62 - HD21 ASN 116 poor 11 57 65 29 3.0-6.9 3787/10216=13...(4) QG2 VAL 112 - HD21 ASN 116 far 8 83 10 - 2.4-8.2 QD2 LEU 53 - HD21 ASN 116 far 4 76 5 - 4.4-11.6 QG1 VAL 112 - HD21 ASN 116 far 4 73 5 - 4.9-9.0 QG1 VAL 105 - HD21 ASN 116 far 0 90 0 - 8.1-11.6 QG1 VAL 57 - HD21 ASN 116 far 0 100 0 - 9.0-12.8 QG2 VAL 126 - HD21 ASN 116 far 0 83 0 - 9.3-13.3 QD1 LEU 123 - HD21 ASN 116 far 0 90 0 - 9.9-13.0 Violated in 9 structures by 0.04 A. Peak 10219 from nnoeabs.peaks (0.80, 7.01, 113.21 ppm; 4.36 A): 2 out of 8 assignments used, quality = 0.98: QD2 LEU 119 + HD21 ASN 116 OK 89 100 90 100 2.2-5.9 2.1/10218=70, ~10222=59...(16) QD1 LEU 103 + HD21 ASN 116 OK 82 93 95 92 1.8-5.3 10265/11532=37, 11425=36...(16) QD2 LEU 122 - HD21 ASN 116 far 15 98 15 - 4.7-9.3 QD1 LEU 122 - HD21 ASN 116 far 5 97 5 - 4.4-9.7 QD1 LEU 53 - HD21 ASN 116 far 0 100 0 - 6.8-12.7 QG1 VAL 63 - HD21 ASN 116 far 0 95 0 - 7.3-10.4 QD2 LEU 49 - HD21 ASN 116 far 0 100 0 - 7.8-11.8 QD1 LEU 96 - HD21 ASN 116 far 0 73 0 - 9.0-12.4 Violated in 1 structures by 0.02 A. Peak 10220 from nnoeabs.peaks (1.39, 7.92, 113.21 ppm; 5.13 A): 1 out of 4 assignments used, quality = 0.44: QB ALA 109 + HD22 ASN 116 OK 44 100 45 98 2.0-7.7 10217/1.7=87...(9) QB ALA 110 - HD22 ASN 116 far 10 100 10 - 3.9-12.1 QB ALA 108 - HD22 ASN 116 lone 2 100 25 10 2.4-10.6 9346/11732=4...(3) HB3 LEU 100 - HD22 ASN 116 far 0 99 0 - 9.1-12.5 Violated in 14 structures by 1.08 A. Peak 10221 from nnoeabs.peaks (1.61, 7.92, 113.21 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.89: HG LEU 119 + HD22 ASN 116 OK 89 99 90 100 1.9-6.3 2.1/10222=89...(14) HG LEU 122 - HD22 ASN 116 far 0 97 0 - 6.2-12.2 HB2 LEU 122 - HD22 ASN 116 far 0 99 0 - 6.5-12.1 Violated in 8 structures by 0.29 A. Peak 10222 from nnoeabs.peaks (0.95, 7.92, 113.21 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.68: QD1 LEU 119 + HD22 ASN 116 OK 68 97 70 100 1.9-5.5 10218/1.7=60...(13) QG2 VAL 112 - HD22 ASN 116 far 6 63 10 - 3.7-8.7 QD2 LEU 53 - HD22 ASN 116 far 0 92 0 - 5.2-10.3 QG1 VAL 112 - HD22 ASN 116 far 0 90 0 - 5.6-9.3 QG1 VAL 105 - HD22 ASN 116 far 0 99 0 - 7.8-11.8 QG1 VAL 57 - HD22 ASN 116 far 0 100 0 - 8.8-14.1 QG2 VAL 126 - HD22 ASN 116 far 0 96 0 - 9.5-13.0 QD1 LEU 123 - HD22 ASN 116 far 0 73 0 - 9.6-13.7 Violated in 7 structures by 0.43 A. Peak 10223 from nnoeabs.peaks (0.80, 7.92, 113.21 ppm; 4.30 A): 2 out of 7 assignments used, quality = 0.98: QD2 LEU 119 + HD22 ASN 116 OK 95 100 95 100 2.6-6.2 2.1/10222=81...(17) QD1 LEU 103 + HD22 ASN 116 OK 64 83 85 91 2.3-5.6 10265/10278=36...(16) QD2 LEU 122 - HD22 ASN 116 far 9 92 10 - 4.7-10.4 QD1 LEU 122 - HD22 ASN 116 far 5 100 5 - 4.8-9.3 QD1 LEU 53 - HD22 ASN 116 far 0 99 0 - 7.1-12.1 QG1 VAL 63 - HD22 ASN 116 far 0 85 0 - 7.6-9.9 QD2 LEU 49 - HD22 ASN 116 far 0 100 0 - 8.5-12.8 Violated in 1 structures by 0.00 A. Peak 10229 from nnoeabs.peaks (1.39, 8.45, 123.09 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.43: QB ALA 109 + H ASN 116 OK 43 100 45 96 4.3-10.1 10196/4.2=65...(7) QB ALA 110 - H ASN 116 far 5 98 5 - 5.6-10.9 QB ALA 108 - H ASN 116 far 0 99 0 - 5.9-10.8 Violated in 15 structures by 1.05 A. Peak 10230 from nnoeabs.peaks (0.95, 8.45, 123.09 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.95: QD1 LEU 119 + H ASN 116 OK 93 93 100 100 1.9-3.9 10295/7616=56, 11559=55...(20) QG1 VAL 112 + H ASN 116 OK 28 96 30 97 4.1-6.0 11552/4.2=58...(9) QD2 LEU 53 - H ASN 116 far 0 97 0 - 5.9-10.6 QG1 VAL 57 - H ASN 116 far 0 99 0 - 9.4-12.2 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 = 0.93: HB2 ASN 116 + H VAL 118 OK 78 78 100 100 3.3-4.9 3.0/10251=76...(13) HB3 ASN 120 + H VAL 118 OK 54 68 80 99 4.7-7.3 3.8/7644=73...(14) HB2 ASN 121 + H VAL 118 OK 28 63 45 100 4.3-7.6 ~3735=73, ~3847=72...(17) HB2 ASN 120 - H VAL 118 poor 17 68 25 - 4.8-7.7 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 3.1-4.0 3670/7638=67...(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 4.4-5.7 3.9/7643=85...(13) HB3 LEU 123 - H VAL 118 far 0 98 0 - 8.3-10.3 Violated in 2 structures by 0.03 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 3.4-5.1 7654/7643=78...(18) HG LEU 122 - H VAL 118 far 0 93 0 - 5.8-9.5 HB2 LEU 122 - H VAL 118 far 0 97 0 - 6.3-9.3 HG LEU 62 - H VAL 118 far 0 60 0 - 8.7-10.7 Violated in 3 structures by 0.03 A. Peak 10256 from nnoeabs.peaks (0.79, 7.75, 118.27 ppm; 5.07 A): 4 out of 8 assignments used, quality = 0.99: QD2 LEU 119 + H VAL 118 OK 94 99 95 100 2.5-6.1 2.1/10255=81...(16) QD1 LEU 103 + H VAL 118 OK 72 97 75 99 3.6-7.5 10265/7642=89...(11) QD2 LEU 122 + H VAL 118 OK 29 99 35 84 4.8-8.3 11612/7641=24, ~11104=24...(11) QD1 LEU 122 + H VAL 118 OK 22 93 30 79 5.4-7.9 ~11104=24, 11549/7641=18...(11) QD1 LEU 53 - H VAL 118 far 0 100 0 - 7.5-10.7 QD2 LEU 49 - H VAL 118 far 0 100 0 - 8.9-11.7 QD1 LEU 96 - H VAL 118 far 0 81 0 - 9.2-10.4 QG1 VAL 63 - H VAL 118 far 0 97 0 - 9.7-11.1 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 = 0.89: HB2 ASN 116 + H LEU 119 OK 80 85 95 99 3.0-6.0 1.8/10285=77...(11) HB3 ASN 120 + H LEU 119 OK 47 60 80 98 4.6-6.3 3.8/7662=75...(11) HB2 ASN 120 - H LEU 119 far 9 60 15 - 4.8-6.4 Violated in 2 structures by 0.03 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 99 100 100 100 2.4-5.0 10295/3797=70...(12) Violated in 1 structures by 0.00 A. Peak 10286 from nnoeabs.peaks (4.39, 7.54, 119.74 ppm; 5.26 A): 1 out of 4 assignments used, quality = 0.73: HA PRO 117 + H LEU 119 OK 73 73 100 100 3.8-4.8 3.6/7643=86...(11) HA PRO 113 - H LEU 119 far 4 85 5 - 5.8-10.3 HA SER 107 - H LEU 119 far 0 100 0 - 6.4-12.4 HA THR 115 - H LEU 119 far 0 97 0 - 7.3-9.0 Violated in 0 structures by 0.00 A. Peak 10298 from nnoeabs.peaks (2.04, 8.08, 117.66 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.95: HB VAL 118 + H ASN 120 OK 95 96 100 99 4.6-5.5 7648/7662=70...(11) HG2 PRO 117 - H ASN 120 far 0 98 0 - 6.2-6.7 HG3 PRO 117 - H ASN 120 far 0 99 0 - 7.1-7.5 HB2 LEU 62 - H ASN 120 far 0 96 0 - 7.3-9.0 Violated in 12 structures by 0.06 A. Peak 10299 from nnoeabs.peaks (2.95, 8.08, 117.66 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.81: HB3 ASN 121 + H ASN 120 OK 73 78 100 93 4.1-5.2 4.3/7675=48, 7700/4.1=41...(9) HB3 ASN 116 + H ASN 120 OK 31 85 40 92 4.6-7.2 10295/3804=44...(8) Violated in 1 structures by 0.02 A. Peak 10311 from nnoeabs.peaks (0.93, 7.60, 111.74 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 123 + HD21 ASN 120 OK 90 100 90 100 5.2-8.5 11631/3809=96, ~10306=44...(11) QD1 LEU 119 + HD21 ASN 120 OK 89 90 100 98 4.4-6.9 3804/7677=73, ~10303=33...(13) QG1 VAL 118 - HD21 ASN 120 far 7 68 10 - 6.2-8.9 QD1 LEU 62 - HD21 ASN 120 lone 2 96 85 3 6.4-8.1 QD1 LEU 49 - HD21 ASN 120 far 0 95 0 - 8.2-12.6 QG1 VAL 57 - HD21 ASN 120 far 0 76 0 - 9.8-13.7 QG2 VAL 112 - HD21 ASN 120 far 0 100 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 10316 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.87: HB3 PRO 117 + H ASN 121 OK 87 96 100 91 4.4-5.5 10302/4.4=56...(8) HB3 LEU 53 - H ASN 121 far 3 65 5 - 5.9-10.3 HG3 PRO 117 - H ASN 121 far 0 57 0 - 6.9-8.0 Violated in 7 structures by 0.05 A. Peak 10317 from nnoeabs.peaks (1.89, 8.12, 119.98 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.97: HB3 LEU 119 + H ASN 121 OK 86 87 100 99 4.7-5.7 2.9/7691=68, 3.9/7690=62...(12) HB3 LEU 123 + H ASN 121 OK 81 89 95 96 4.8-6.8 3.9/7704=80, 3927/3.6=67...(8) HB3 LEU 49 - H ASN 121 far 0 68 0 - 8.0-12.6 Violated in 0 structures by 0.00 A. Peak 10318 from nnoeabs.peaks (1.76, 8.12, 119.98 ppm; 5.44 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 100 - H ASN 121 far 0 90 0 - 7.3-11.0 HB3 LEU 98 - H ASN 121 far 0 73 0 - 8.5-11.7 Violated in 20 structures by 2.83 A. Peak 10319 from nnoeabs.peaks (1.61, 8.12, 119.98 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.85: HG LEU 119 + H ASN 121 OK 59 93 65 97 5.4-6.6 3.7/7691=54...(11) HG LEU 122 + H ASN 121 OK 52 100 55 94 3.9-7.3 2.1/10321=44, ~10323=32...(16) HB2 LEU 122 + H ASN 121 OK 24 100 25 94 4.6-6.5 4.3/7704=65, ~10323=40...(9) Violated in 3 structures by 0.02 A. Peak 10320 from nnoeabs.peaks (0.99, 8.12, 119.98 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.93: QG2 VAL 118 + H ASN 121 OK 87 87 100 100 4.8-5.1 3.2/7689=85...(14) QD2 LEU 53 + H ASN 121 OK 45 71 85 74 4.6-7.7 11845/7691=35...(8) QG2 VAL 126 - H ASN 121 far 0 63 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 10321 from nnoeabs.peaks (0.82, 8.12, 119.98 ppm; 4.57 A): 3 out of 5 assignments used, quality = 0.84: QD1 LEU 122 + H ASN 121 OK 66 97 70 97 3.3-6.7 3899/7704=55...(17) QD2 LEU 122 + H ASN 121 OK 31 57 60 89 4.2-6.7 ~10323=26, 2.1/10319=25...(16) QD2 LEU 119 + H ASN 121 OK 30 90 35 94 3.6-6.6 3.9/7691=45, 4.6/7690=39...(13) QD1 LEU 53 - H ASN 121 far 8 76 10 - 5.1-7.8 QD2 LEU 49 - H ASN 121 far 0 83 0 - 7.0-9.8 Violated in 8 structures by 0.09 A. Peak 10322 from nnoeabs.peaks (0.91, 8.12, 119.98 ppm; 4.65 A): 2 out of 8 assignments used, quality = 0.97: QG1 VAL 118 + H ASN 121 OK 96 96 100 100 3.9-4.7 3.2/7689=71...(20) QD1 LEU 119 + H ASN 121 OK 26 57 50 91 5.0-6.5 4.1/7691=44, 4.6/7690=40...(9) QD2 LEU 123 - H ASN 121 poor 13 65 20 - 5.3-7.1 QD1 LEU 123 - H ASN 121 far 0 90 0 - 5.8-7.2 QD1 LEU 62 - H ASN 121 far 0 100 0 - 6.0-7.6 QD1 LEU 49 - H ASN 121 far 0 100 0 - 7.8-11.0 QG2 VAL 63 - H ASN 121 far 0 100 0 - 9.1-10.3 QG2 VAL 112 - H ASN 121 far 0 96 0 - 9.4-13.7 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: QG2 VAL 126 - HE21 GLN 68 far 5 48 10 - 4.8-9.5 QG1 VAL 126 - HE21 GLN 68 far 4 41 10 - 4.3-9.6 QD2 LEU 53 - HD21 ASN 121 far 0 99 0 - 7.5-10.9 QG2 VAL 126 - HD21 ASN 121 far 0 97 0 - 8.6-10.9 QG2 VAL 105 - HD21 ASN 121 far 0 57 0 - 8.6-11.2 QD2 LEU 53 - HE21 GLN 68 far 0 50 0 - 8.8-15.5 QG1 VAL 126 - HE21 GLN 134 far 0 62 0 - 9.1-11.9 QG1 VAL 57 - HE21 GLN 68 far 0 30 0 - 9.5-12.2 Violated in 18 structures by 1.04 A. Peak 10329 from nnoeabs.peaks (0.89, 6.88, 112.45 ppm; 4.27 A): 1 out of 11 assignments used, quality = 0.59: QG1 VAL 118 + HD21 ASN 121 OK 59 99 60 100 4.0-6.0 10333/1.7=57...(33) QD2 LEU 69 - HE21 GLN 68 poor 17 33 50 - 2.4-7.8 QD1 LEU 49 - HE21 GLN 68 far 2 37 5 - 2.2-9.7 QD2 LEU 48 - HE21 GLN 68 far 0 42 0 - 5.2-8.4 QD2 LEU 98 - HD21 ASN 121 far 0 90 0 - 5.5-9.2 QD2 LEU 123 - HE21 GLN 68 far 0 49 0 - 7.5-14.7 QD1 LEU 62 - HD21 ASN 121 far 0 81 0 - 8.2-10.0 QG2 VAL 63 - HE21 GLN 68 far 0 40 0 - 8.3-10.5 QD2 LEU 123 - HD21 ASN 121 far 0 99 0 - 8.7-10.6 QD1 LEU 62 - HE21 GLN 68 far 0 36 0 - 9.7-12.0 QG2 VAL 63 - HD21 ASN 121 far 0 87 0 - 9.8-12.1 Violated in 17 structures by 0.80 A. Peak 10330 from nnoeabs.peaks (1.41, 6.88, 112.45 ppm; 6.80 A): 0 out of 18 assignments used, quality = 0.00: QB ALA 29 - HE21 GLN 68 far 4 29 15 - 3.0-19.8 QB ALA 108 - HD21 ASN 121 far 4 78 5 - 5.6-15.1 QB ALA 28 - HE21 GLN 68 far 3 33 10 - 6.0-22.0 HG2 LYS 26 - HE21 GLN 68 far 3 29 10 - 7.2-32.8 HG3 LYS 26 - HE21 GLN 68 far 2 30 5 - 6.8-33.0 HG2 LYS 36 - HE21 GLN 68 far 1 29 5 - 7.4-14.1 QB ALA 109 - HD21 ASN 121 far 0 87 0 - 7.7-13.8 HG3 LYS 95 - HD21 ASN 121 far 0 81 0 - 8.0-12.3 HB2 LEU 96 - HD21 ASN 121 far 0 68 0 - 8.4-12.1 HG2 LYS 95 - HD21 ASN 121 far 0 85 0 - 8.4-12.1 QB ALA 110 - HD21 ASN 121 far 0 73 0 - 8.8-17.8 HB2 LEU 42 - HE21 GLN 68 far 0 26 0 - 8.9-13.6 HG LEU 96 - HE21 GLN 68 far 0 49 0 - 8.9-13.3 HB2 LEU 96 - HE21 GLN 68 far 0 29 0 - 9.2-14.0 HB3 LEU 100 - HD21 ASN 121 far 0 65 0 - 9.3-12.2 QB ALA 15 - HE21 GLN 68 far 0 32 0 - 9.3-31.0 HB2 LEU 42 - HE21 GLN 134 far 0 41 0 - 9.8-12.9 HG LEU 96 - HD21 ASN 121 far 0 98 0 - 10.0-13.6 Violated in 9 structures by 0.20 A. Peak 10331 from nnoeabs.peaks (1.65, 6.88, 112.45 ppm; 6.80 A): 1 out of 12 assignments used, quality = 0.26: HG LEU 43 + HE21 GLN 134 OK 26 75 35 100 6.3-10.0 ~10630=99, ~9117=97...(6) HB2 LEU 69 - HE21 GLN 68 poor 20 36 55 - 4.4-8.4 HG LEU 119 - HD21 ASN 121 poor 17 68 25 - 7.2-10.1 HB2 LEU 98 - HD21 ASN 121 far 15 100 15 - 6.7-10.3 HD3 LYS 26 - HE21 GLN 68 far 2 48 5 - 5.5-33.3 HD2 LYS 26 - HE21 GLN 68 far 2 46 5 - 5.2-34.4 HD3 LYS 36 - HE21 GLN 68 far 2 34 5 - 7.1-13.4 HD2 LYS 36 - HE21 GLN 68 far 2 34 5 - 7.2-13.4 HB2 LEU 123 - HD21 ASN 121 far 0 100 0 - 8.4-9.5 QB ALA 88 - HE21 GLN 134 far 0 68 0 - 8.8-12.2 HD2 LYS 95 - HD21 ASN 121 far 0 99 0 - 9.2-12.9 HG LEU 62 - HE21 GLN 68 far 0 52 0 - 9.5-13.0 Violated in 19 structures by 1.27 A. Peak 10332 from nnoeabs.peaks (1.00, 7.78, 112.45 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 118 + HD22 ASN 121 OK 100 100 100 100 2.7-4.9 11604/3.5=72...(34) QG2 VAL 105 - HD22 ASN 121 far 0 100 0 - 8.3-11.3 Violated in 1 structures by 0.00 A. Peak 10333 from nnoeabs.peaks (0.90, 7.78, 112.45 ppm; 5.04 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 118 + HD22 ASN 121 OK 100 100 100 100 3.3-5.9 10329/1.7=94...(37) QD2 LEU 98 - HD22 ASN 121 far 8 81 10 - 4.5-8.7 QD1 LEU 62 - HD22 ASN 121 far 0 90 0 - 7.8-10.2 QD2 LEU 123 - HD22 ASN 121 far 0 95 0 - 8.2-10.5 QG2 VAL 63 - HD22 ASN 121 far 0 95 0 - 8.7-11.9 QG2 VAL 112 - HD22 ASN 121 far 0 68 0 - 9.2-14.3 QD1 LEU 49 - HD22 ASN 121 far 0 92 0 - 9.9-12.8 Violated in 5 structures by 0.16 A. Peak 10334 from nnoeabs.peaks (0.80, 7.78, 112.45 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.99: QD2 LEU 122 + HD22 ASN 121 OK 82 97 85 99 4.4-8.8 ~11092=70, 9257/3.5=65...(12) QD1 LEU 122 + HD22 ASN 121 OK 77 97 80 99 5.3-8.5 11092/3.5=77, ~10307=51...(11) QD1 LEU 103 + HD22 ASN 121 OK 66 92 75 95 5.4-10.3 10265/10332=88...(6) QD2 LEU 119 + HD22 ASN 121 OK 38 100 50 77 4.8-10.4 ~11617=21, ~11554=20...(8) QD1 LEU 96 - HD22 ASN 121 far 4 71 5 - 7.6-10.6 QD1 LEU 53 - HD22 ASN 121 far 0 100 0 - 7.8-11.2 QD2 LEU 49 - HD22 ASN 121 far 0 100 0 - 8.4-13.0 Violated in 0 structures by 0.00 A. Peak 10335 from nnoeabs.peaks (3.83, 7.78, 112.45 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.85: HA VAL 118 + HD22 ASN 121 OK 85 85 100 100 1.9-4.8 10336/1.7=65...(35) HD2 PRO 117 - HD22 ASN 121 far 0 71 0 - 6.3-8.2 HA LEU 123 - HD22 ASN 121 far 0 95 0 - 9.0-10.7 Violated in 1 structures by 0.01 A. Peak 10336 from nnoeabs.peaks (3.83, 6.88, 112.45 ppm; 5.06 A): 1 out of 10 assignments used, quality = 0.97: HA VAL 118 + HD21 ASN 121 OK 97 97 100 100 2.4-4.5 10335/1.7=86...(33) HB2 SER 130 - HE21 GLN 134 far 11 76 15 - 4.6-9.6 HA LEU 62 - HE21 GLN 68 far 0 37 0 - 7.1-10.1 HA GLU 40 - HE21 GLN 134 far 0 63 0 - 8.0-12.8 HA LEU 123 - HE21 GLN 68 far 0 34 0 - 8.8-14.3 HB2 SER 130 - HE21 GLN 68 far 0 52 0 - 8.9-16.0 HB3 SER 33 - HE21 GLN 68 far 0 29 0 - 9.2-14.1 HA LEU 123 - HD21 ASN 121 far 0 78 0 - 9.6-10.7 HB2 SER 50 - HE21 GLN 68 far 0 46 0 - 9.7-14.8 HB3 SER 9 - HE21 GLN 68 far 0 36 0 - 9.8-48.9 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 = 0.83: HB2 ASN 120 + H SER 124 OK 83 100 85 98 4.6-6.8 10300/7770=69...(7) HB2 ASN 121 - H SER 124 poor 20 100 20 - 5.6-6.2 HB3 ASN 120 - H SER 124 far 10 100 10 - 4.6-6.2 Violated in 12 structures by 0.29 A. Peak 10359 from nnoeabs.peaks (2.22, 8.04, 119.83 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.92: HB3 GLN 127 + H CYS 125 OK 74 100 80 92 4.4-6.7 4049/3.6=70...(8) HB3 LEU 96 + H CYS 125 OK 69 95 75 97 4.2-6.1 11655/7783=60...(12) HB3 GLU 128 - H CYS 125 far 5 100 5 - 5.1-7.4 HG2 GLU 91 - H CYS 125 far 0 100 0 - 9.2-11.5 Violated in 2 structures by 0.05 A. Peak 10360 from nnoeabs.peaks (2.08, 8.04, 119.83 ppm; 4.53 A): 2 out of 4 assignments used, quality = 0.87: HB2 GLU 128 + H CYS 125 OK 65 100 65 100 4.8-6.5 3986/2.9=78, ~4095=38...(20) HB VAL 126 + H CYS 125 OK 62 63 100 99 4.4-5.2 2.1/11603=78...(11) HB2 GLN 127 - H CYS 125 poor 17 83 20 - 4.8-6.3 HB VAL 118 - H CYS 125 far 0 83 0 - 9.8-10.8 Violated in 2 structures by 0.03 A. Peak 10363 from nnoeabs.peaks (1.62, 8.04, 119.83 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.99: HB2 LEU 122 + H CYS 125 OK 97 97 100 100 4.8-5.6 11595/7783=68...(18) HG LEU 122 + H CYS 125 OK 72 93 80 97 5.2-7.2 2.1/10366=50...(11) Violated in 0 structures by 0.00 A. Peak 10365 from nnoeabs.peaks (0.95, 8.04, 119.83 ppm; 4.16 A): 2 out of 5 assignments used, quality = 0.99: QG2 VAL 126 + H CYS 125 OK 99 99 100 100 4.2-4.8 11603=94, 4021/7792=67...(21) QD1 LEU 123 + H CYS 125 OK 55 63 90 97 4.3-5.2 4.7/7776=35, ~7765=33...(15) QG1 VAL 126 - H CYS 125 far 0 100 0 - 5.5-6.1 QD2 LEU 53 - H CYS 125 far 0 97 0 - 5.8-8.4 QD1 LEU 119 - H CYS 125 far 0 93 0 - 9.6-10.4 Violated in 2 structures by 0.01 A. Peak 10366 from nnoeabs.peaks (0.79, 8.04, 119.83 ppm; 4.24 A): 2 out of 9 assignments used, quality = 0.66: QD2 LEU 122 + H CYS 125 OK 43 99 45 95 3.8-6.4 11828/3.9=42...(18) QD1 LEU 122 + H CYS 125 OK 40 93 45 95 4.3-6.6 3899/7776=36...(17) QD1 LEU 96 - H CYS 125 poor 16 81 20 - 4.6-5.8 QD1 LEU 53 - H CYS 125 far 5 100 5 - 5.1-7.2 QD2 LEU 49 - H CYS 125 far 0 100 0 - 5.6-8.2 QG2 ILE 129 - H CYS 125 far 0 60 0 - 7.8-9.0 QD2 LEU 119 - H CYS 125 far 0 99 0 - 8.2-10.1 QD1 LEU 103 - H CYS 125 far 0 97 0 - 8.3-11.3 QD1 LEU 70 - H CYS 125 far 0 68 0 - 9.6-11.3 Violated in 15 structures by 0.47 A. Peak 10374 from nnoeabs.peaks (2.08, 7.95, 113.43 ppm; 6.23 A): 3 out of 5 assignments used, quality = 0.95: HB VAL 126 + H SER 124 OK 78 78 100 100 5.3-5.8 3.7/7772=91, ~11603=73...(11) HB2 GLN 127 + H SER 124 OK 68 68 100 100 4.7-6.3 ~4049=83, ~4049=80...(14) HB2 GLU 128 + H SER 124 OK 34 100 60 56 6.5-8.8 10360/3.4=46, 3966/2.9=9 HB VAL 118 - H SER 124 far 0 68 0 - 9.0-10.0 HB2 LEU 62 - H SER 124 far 0 68 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 10392 from nnoeabs.peaks (3.86, 8.29, 121.89 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.98: HA LEU 123 + H VAL 126 OK 98 98 100 100 3.3-4.3 10393/4.0=100...(18) HB2 SER 50 - H VAL 126 poor 19 85 40 55 6.4-9.0 7803/3.5=26...(6) HA LEU 70 - H VAL 126 far 0 71 0 - 8.8-9.9 HA LEU 62 - H VAL 126 far 0 97 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10399 from nnoeabs.peaks (0.79, 8.29, 121.89 ppm; 4.13 A): 5 out of 8 assignments used, quality = 0.99: QD1 LEU 96 + H VAL 126 OK 84 85 100 99 3.3-4.3 11452/2.9=40, 3099=39...(25) QD2 LEU 49 + H VAL 126 OK 57 99 65 88 4.0-6.3 11613/4.0=51...(12) QD2 LEU 122 + H VAL 126 OK 57 100 60 95 2.7-6.3 3.1/10405=36...(20) QD1 LEU 122 + H VAL 126 OK 55 90 65 93 3.4-6.2 3.1/10405=36...(20) QD1 LEU 53 + H VAL 126 OK 30 100 50 60 4.5-7.9 11585/7772=22...(13) QD1 LEU 70 - H VAL 126 far 0 63 0 - 8.0-9.9 QD1 LEU 103 - H VAL 126 far 0 98 0 - 8.4-11.0 QD2 LEU 119 - H VAL 126 far 0 97 0 - 9.0-10.4 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 3.6-4.7 11639/2.9=98...(34) QD1 LEU 42 - H VAL 126 far 0 97 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 10405 from nnoeabs.peaks (1.60, 8.29, 121.89 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.81: HB2 LEU 122 + H VAL 126 OK 75 96 85 92 3.9-5.8 11677/4021=37...(16) HG LEU 122 + H VAL 126 OK 25 99 30 83 4.2-6.7 11677/4021=20...(14) HG LEU 49 - H VAL 126 far 7 73 10 - 5.7-8.8 HG LEU 123 - H VAL 126 far 3 60 5 - 5.7-7.5 HG LEU 70 - H VAL 126 far 0 92 0 - 9.2-11.8 HB2 LEU 103 - H VAL 126 far 0 85 0 - 9.8-12.1 Violated in 3 structures by 0.05 A. Peak 10419 from nnoeabs.peaks (3.82, 6.82, 112.36 ppm; 5.84 A): 1 out of 3 assignments used, quality = 0.83: HB2 SER 50 + HE21 GLN 127 OK 83 87 100 96 2.7-5.8 10420/1.7=54...(10) HA LEU 123 - HE21 GLN 127 far 6 63 10 - 6.2-7.9 HB2 SER 130 - HE21 GLN 127 far 5 100 5 - 6.2-10.5 Violated in 0 structures by 0.00 A. Peak 10420 from nnoeabs.peaks (3.82, 7.48, 112.36 ppm; 5.53 A): 2 out of 3 assignments used, quality = 0.96: HB2 SER 50 + HE22 GLN 127 OK 90 92 100 98 1.9-5.4 10419/1.7=76...(10) HA LEU 123 + HE22 GLN 127 OK 59 71 85 99 5.2-7.4 4.0/10434=86...(6) HB2 SER 130 - HE22 GLN 127 far 0 100 0 - 6.6-9.7 Violated in 0 structures by 0.00 A. Peak 10428 from nnoeabs.peaks (2.75, 7.88, 119.85 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: HB2 CYS 125 + H GLU 128 OK 99 99 100 100 5.0-5.6 3.0/7839=100...(10) HB2 ASP 131 + H GLU 128 OK 63 63 100 100 4.7-7.0 ~4086=94, ~4201=93...(12) HB2 CYS 73 - H GLU 128 far 0 100 0 - 9.4-10.9 HB2 ASP 47 - H GLU 128 far 0 63 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 10430 from nnoeabs.peaks (1.57, 6.82, 112.36 ppm; 4.62 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 123 - HE21 GLN 127 far 15 99 15 - 4.8-7.8 HG LEU 49 - HE21 GLN 127 far 5 100 5 - 5.2-11.9 Violated in 20 structures by 1.24 A. Peak 10431 from nnoeabs.peaks (0.91, 6.82, 112.36 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.80: QD1 LEU 123 + HE21 GLN 127 OK 80 90 90 98 2.6-5.3 10434/1.7=74...(11) QD2 LEU 123 - HE21 GLN 127 poor 16 65 25 - 3.8-5.8 QD1 LEU 49 - HE21 GLN 127 far 5 100 5 - 3.9-9.6 QD2 LEU 48 - HE21 GLN 127 far 0 100 0 - 7.7-11.3 QD1 LEU 48 - HE21 GLN 127 far 0 96 0 - 8.5-12.8 Violated in 15 structures by 0.27 A. Peak 10433 from nnoeabs.peaks (1.56, 7.48, 112.36 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.80: HG LEU 123 + HE22 GLN 127 OK 80 100 80 100 4.5-6.8 2.1/10434=95, ~10431=70...(8) HG LEU 49 - HE22 GLN 127 far 5 99 5 - 4.4-10.4 Violated in 18 structures by 0.63 A. Peak 10434 from nnoeabs.peaks (0.92, 7.48, 112.36 ppm; 3.54 A): 1 out of 5 assignments used, quality = 0.96: QD1 LEU 123 + HE22 GLN 127 OK 96 97 100 99 2.1-4.3 10431/1.7=71...(12) QD1 LEU 49 - HE22 GLN 127 far 5 100 5 - 2.7-8.2 QD2 LEU 48 - HE22 GLN 127 far 0 99 0 - 7.9-11.1 QD1 LEU 48 - HE22 GLN 127 far 0 99 0 - 8.3-12.3 QD1 LEU 62 - HE22 GLN 127 far 0 100 0 - 9.2-12.3 Violated in 3 structures by 0.06 A. Peak 10439 from nnoeabs.peaks (1.43, 7.88, 119.85 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 92 + H GLU 128 OK 100 100 100 100 3.6-4.7 10447/4110=73...(11) HG LEU 96 - H GLU 128 far 0 63 0 - 8.4-9.0 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 4.3-4.8 10394/3.6=78...(17) QG2 VAL 126 + H GLU 128 OK 87 87 100 100 5.1-5.4 4026/3.2=62, ~4020=50...(16) QD1 LEU 123 + H GLU 128 OK 67 87 85 91 4.9-6.3 11578/4076=41...(9) QD2 LEU 53 - H GLU 128 far 0 81 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 10441 from nnoeabs.peaks (0.83, 7.88, 119.85 ppm; 5.59 A): 1 out of 5 assignments used, quality = 0.99: QG2 ILE 129 + H GLU 128 OK 99 99 100 100 5.6-5.9 7870/7855=84...(9) QD1 LEU 122 - H GLU 128 far 0 81 0 - 6.8-9.6 QG1 VAL 133 - H GLU 128 far 0 98 0 - 6.9-10.1 QD2 LEU 70 - H GLU 128 far 0 60 0 - 8.4-10.1 QD1 LEU 70 - H GLU 128 far 0 98 0 - 9.8-11.7 Violated in 20 structures by 0.09 A. Peak 10475 from nnoeabs.peaks (0.96, 8.00, 119.54 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 126 + H ILE 129 OK 99 100 100 100 4.0-4.8 11618/3.8=66...(12) QG2 VAL 126 + H ILE 129 OK 99 100 100 99 4.8-5.4 11692/7873=64...(12) QD2 LEU 53 - H ILE 129 far 0 100 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 10476 from nnoeabs.peaks (1.43, 8.00, 119.54 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 92 + H ILE 129 OK 100 100 100 100 2.9-4.0 10491/7873=73...(19) 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 3 assignments used, quality = 0.91: QG1 VAL 126 + H SER 130 OK 91 92 100 99 3.5-4.3 11618/7883=55...(15) QG2 VAL 126 - H SER 130 far 5 99 5 - 5.5-6.1 QD2 LEU 53 - H SER 130 far 0 100 0 - 9.9-12.6 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 2.8-3.8 11718/7889=78...(15) HB2 LEU 42 - H SER 130 far 0 78 0 - 6.6-7.8 HB2 LEU 96 - H SER 130 far 0 73 0 - 7.7-8.7 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 6 assignments used, quality = 1.00: HB3 GLU 128 + H SER 130 OK 96 97 100 100 5.4-6.5 3.6/7879=88...(8) HB3 GLN 127 + H SER 130 OK 96 96 100 100 5.6-6.5 3.0/4036=97, 4.7/7879=77...(7) HB VAL 133 + H SER 130 OK 55 73 75 100 5.5-7.7 2.1/10562=100, ~11861=77...(15) HB3 LEU 96 - H SER 130 far 0 78 0 - 7.8-8.5 HG2 GLU 91 - H SER 130 far 0 95 0 - 9.0-10.4 HG2 GLN 68 - H SER 130 far 0 89 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 10510 from nnoeabs.peaks (1.64, 8.27, 119.63 ppm; 4.09 A): 2 out of 17 assignments used, quality = 0.88: HB2 LEU 123 + H LEU 123 OK 77 77 100 100 2.1-2.9 3.9=100 HB2 LEU 122 + H LEU 123 OK 50 51 100 99 2.3-4.2 4.3=84, 3.1/3899=52...(16) HD2 LYS 26 - H GLU 30 far 6 64 10 - 3.9-14.2 HD3 LYS 26 - H GLU 30 far 3 69 5 - 4.4-13.0 HD3 LYS 31 - H GLU 30 far 0 64 0 - 5.5-8.6 HD2 LYS 19 - H GLU 30 far 0 85 0 - 5.7-19.1 HG3 ARG 23 - H GLU 30 far 0 89 0 - 5.8-18.6 HD2 LYS 31 - H GLU 30 far 0 62 0 - 5.9-8.9 HG LEU 43 - H ASP 131 far 0 99 0 - 6.5-8.0 QB ALA 88 - H ASP 131 far 0 71 0 - 6.8-7.5 HG LEU 22 - H GLU 30 far 0 75 0 - 6.8-20.7 HG LEU 119 - H LEU 123 far 0 77 0 - 6.8-7.5 HD3 LYS 19 - H GLU 30 far 0 85 0 - 7.3-20.4 HG LEU 62 - H LEU 123 far 0 80 0 - 7.9-9.5 HB3 LEU 22 - H GLU 30 far 0 75 0 - 8.0-19.6 HD3 LYS 24 - H GLU 30 far 0 64 0 - 8.7-17.5 HB2 LEU 98 - H LEU 123 far 0 74 0 - 8.8-13.2 Violated in 0 structures by 0.00 A. Peak 10511 from nnoeabs.peaks (1.15, 8.27, 119.63 ppm; 4.10 A): 2 out of 8 assignments used, quality = 0.99: QG2 VAL 132 + H ASP 131 OK 98 98 100 100 3.6-4.3 10518/7904=57, 11651=50...(24) HG12 ILE 32 + H GLU 30 OK 48 82 70 84 3.7-5.7 10738/3.6=43...(11) QG1 VAL 132 - H ASP 131 far 0 89 0 - 5.7-6.0 HB3 LEU 62 - H LEU 123 far 0 87 0 - 6.3-8.5 HG3 LYS 39 - H ASP 131 far 0 98 0 - 8.1-9.8 HG2 LYS 39 - H ASP 131 far 0 95 0 - 8.4-10.4 QG2 THR 18 - H GLU 30 far 0 64 0 - 8.5-20.0 QB ALA 41 - H GLU 30 far 0 66 0 - 9.8-15.8 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 14 assignments used, quality = 0.87: QD1 LEU 123 + H LEU 123 OK 87 87 100 100 4.1-4.3 3952=95, 2.1/3944=70...(13) QG1 VAL 118 - H LEU 123 poor 15 49 45 68 4.4-5.8 10322/7704=26, ~7718=20...(12) QD1 LEU 49 - H LEU 123 poor 15 75 30 64 4.2-7.6 ~9206=14, 9209/2.9=13...(16) QD1 LEU 62 - H LEU 123 far 4 77 5 - 4.8-7.5 QG1 VAL 126 - H ASP 131 far 0 60 0 - 5.7-6.5 QG1 VAL 126 - H LEU 123 far 0 46 0 - 5.8-6.6 QG1 VAL 20 - H GLU 30 far 0 73 0 - 6.3-16.3 QD1 LEU 119 - H LEU 123 far 0 77 0 - 6.4-7.5 QD1 LEU 49 - H ASP 131 far 0 92 0 - 7.0-10.9 QD1 LEU 123 - H ASP 131 far 0 100 0 - 7.9-9.4 QG2 VAL 63 - H LEU 123 far 0 72 0 - 8.3-10.0 QD1 LEU 48 - H GLU 30 far 0 93 0 - 8.8-22.2 QD2 LEU 48 - H LEU 123 far 0 68 0 - 9.5-11.4 QD1 LEU 48 - H LEU 123 far 0 86 0 - 9.6-12.5 Violated in 8 structures by 0.03 A. Peak 10513 from nnoeabs.peaks (0.81, 8.27, 119.63 ppm; 3.96 A): 5 out of 17 assignments used, quality = 0.99: QD1 LEU 122 + H LEU 123 OK 86 86 100 99 1.9-4.8 3899=76, 2.1/3907=37...(25) QD1 LEU 53 + H LEU 123 OK 56 72 80 98 2.2-5.9 11422/3944=43...(18) QD2 LEU 122 + H LEU 123 OK 56 58 100 97 2.8-4.8 2.1/3899=61, 3.1/7744=32...(19) QG2 ILE 129 + H ASP 131 OK 38 97 40 98 4.4-5.3 4143/7891=50...(18) QG1 VAL 133 + H ASP 131 OK 30 68 45 97 3.8-6.6 4.0/7925=40, ~10564=28...(19) QD2 LEU 49 - H LEU 123 poor 19 77 25 - 4.2-7.2 QD2 LEU 119 - H LEU 123 far 0 82 0 - 5.1-7.0 QD1 LEU 103 - H LEU 123 far 0 46 0 - 5.2-8.7 QD2 LEU 49 - H ASP 131 far 0 93 0 - 8.1-11.2 QG2 ILE 80 - H ASP 131 far 0 100 0 - 9.0-10.6 QD1 LEU 53 - H ASP 131 far 0 89 0 - 9.0-11.8 QD1 LEU 70 - H LEU 123 far 0 84 0 - 9.3-12.1 HG13 ILE 80 - H ASP 131 far 0 95 0 - 9.4-11.3 QD2 LEU 122 - H ASP 131 far 0 73 0 - 9.4-13.1 QG1 VAL 63 - H LEU 123 far 0 49 0 - 9.6-11.3 QD1 LEU 122 - H ASP 131 far 0 100 0 - 9.9-13.2 QG2 ILE 129 - H LEU 123 far 0 81 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10522 from nnoeabs.peaks (0.83, 8.47, 118.09 ppm; 4.75 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 129 + H VAL 132 OK 95 96 100 99 3.9-5.1 3.2/7909=60...(14) QG1 VAL 133 + H VAL 132 OK 50 100 50 100 3.2-6.1 2.1/10564=78...(24) QD1 LEU 98 - H SER 9 far 2 37 5 - 5.0-51.6 QG2 ILE 80 - H VAL 132 far 0 83 0 - 7.1-8.7 HG13 ILE 80 - H VAL 132 far 0 97 0 - 7.4-9.6 QD1 LEU 70 - H SER 9 far 0 62 0 - 9.0-44.3 QD2 LEU 70 - H SER 9 far 0 48 0 - 9.3-44.5 Violated in 1 structures by 0.00 A. Peak 10525 from nnoeabs.peaks (2.05, 8.47, 118.09 ppm; 5.54 A): 1 out of 9 assignments used, quality = 0.86: HG3 ARG 135 + H VAL 132 OK 86 90 95 100 3.4-6.6 10526/3.0=83, ~10527=69...(27) QE MET 11 - H SER 9 poor 14 70 20 - 4.8-11.2 HB2 GLN 134 - H VAL 132 far 9 63 15 - 5.1-7.5 HB2 GLN 127 - H VAL 132 far 0 99 0 - 7.3-9.5 HG3 PRO 81 - H VAL 132 far 0 100 0 - 8.4-12.9 HB3 MET 11 - H SER 9 far 0 43 0 - 8.5-11.0 HB3 GLU 91 - H VAL 132 far 0 90 0 - 9.3-11.4 HB3 LYS 39 - H VAL 132 far 0 57 0 - 9.6-11.9 HG2 ARG 90 - H VAL 132 far 0 68 0 - 9.9-11.3 Violated in 4 structures by 0.13 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 3.7-4.4 10611=99, 7972/7936=82...(12) HZ PHE 89 - H VAL 133 far 15 100 15 - 5.1-7.0 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 5.9-6.9 9117/11075=85...(5) Violated in 8 structures by 0.02 A. Peak 10550 from nnoeabs.peaks (6.48, 8.14, 117.00 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.97: QE TYR 76 + H VAL 133 OK 96 97 100 100 4.6-5.9 10555/7935=77...(11) QD TYR 76 + H VAL 133 OK 25 85 30 97 5.6-7.2 ~10559=59, ~10559=55...(9) Violated in 2 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 3.6-4.4 11075=81, 11776/7935=75...(15) HG12 ILE 129 - H VAL 133 far 0 96 0 - 5.9-7.6 QD2 LEU 96 - H VAL 133 far 0 97 0 - 7.9-9.2 QG1 VAL 93 - H VAL 133 far 0 96 0 - 8.5-9.8 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 = 0.85: HG3 GLN 134 + H VAL 133 OK 66 73 90 99 3.8-6.1 9127/11075=64...(13) HG3 ARG 135 + H VAL 133 OK 55 71 80 97 3.9-6.7 10526/3.6=55...(9) HG3 PRO 81 - H VAL 133 far 5 99 5 - 5.9-11.1 HB3 LYS 39 - H VAL 133 far 0 81 0 - 7.1-9.3 HB2 GLU 128 - H VAL 133 far 0 76 0 - 7.2-8.9 HB2 GLN 127 - H VAL 133 far 0 100 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 10583 from nnoeabs.peaks (2.67, 8.14, 117.00 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: HG2 GLN 134 + H VAL 133 OK 87 87 100 100 3.4-5.7 4.9/7936=92...(9) HB2 ASN 85 + H VAL 133 OK 52 65 95 84 4.3-7.9 ~11929=50...(5) 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 3 assignments used, quality = 0.95: QD2 LEU 43 + H GLN 134 OK 95 95 100 100 2.7-4.4 11777/4250=68...(19) HG12 ILE 129 - H GLN 134 far 0 99 0 - 8.4-9.6 QD2 LEU 96 - H GLN 134 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10606 from nnoeabs.peaks (1.17, 7.49, 116.34 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.54: HG3 LYS 39 + H GLN 134 OK 54 96 60 94 4.4-6.5 10567/4256=59...(11) QG2 VAL 77 - H GLN 134 far 0 95 0 - 9.2-10.4 QB ALA 41 - H GLN 134 far 0 100 0 - 9.6-11.5 Violated in 19 structures by 0.77 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 98 3.8-6.3 7983/7972=92...(5) HD3 LYS 39 + H GLN 134 OK 39 99 40 98 5.9-7.5 3.0/10606=80...(8) HB2 LEU 43 - H GLN 134 far 0 99 0 - 6.5-8.7 HG13 ILE 129 - H GLN 134 far 0 73 0 - 8.5-10.2 HB ILE 80 - H GLN 134 far 0 89 0 - 9.1-10.5 Violated in 1 structures by 0.01 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 3.7-4.4 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; 4.27 A): 1 out of 2 assignments used, quality = 0.85: HE ARG 135 + H ARG 135 OK 85 85 100 100 2.8-4.6 11865=69, 2.9/7985=63...(15) QD PHE 89 - H ARG 135 far 0 100 0 - 5.8-7.2 Violated in 14 structures by 0.10 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 3.0-3.8 10527/7983=54, 10542=48...(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 3.7-4.5 3.6/7972=87...(9) HA SER 130 - H ARG 135 far 0 96 0 - 6.3-7.5 HB2 SER 130 - H ARG 135 far 0 63 0 - 7.2-9.4 HB3 SER 130 - H ARG 135 far 0 83 0 - 7.8-9.3 HA LEU 43 - H ARG 135 far 0 95 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 10626 from nnoeabs.peaks (3.80, 7.13, 112.66 ppm; 4.31 A): 0 out of 4 assignments used, quality = 0.00: HB2 SER 130 - HE22 GLN 134 far 12 81 15 - 3.6-9.2 HA SER 130 - HE22 GLN 134 far 4 85 5 - 5.0-7.9 HB3 SER 130 - HE22 GLN 134 far 3 65 5 - 5.0-8.4 HA LEU 43 - HE22 GLN 134 far 0 83 0 - 7.1-10.4 Violated in 17 structures by 1.21 A. Peak 10629 from nnoeabs.peaks (1.03, 7.13, 112.66 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 133 + HE22 GLN 134 OK 99 99 100 100 4.5-6.8 11678/10630=99...(9) QD1 LEU 69 - HE22 GLN 134 far 0 68 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 10630 from nnoeabs.peaks (0.76, 7.13, 112.66 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.24: QD2 LEU 43 + HE22 GLN 134 OK 24 97 25 99 3.3-6.6 9117=63, 2.1/11919=56...(11) Violated in 16 structures by 1.34 A. Peak 10631 from nnoeabs.peaks (1.13, 7.31, 125.67 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + H ARG 135 OK 100 100 100 100 4.1-4.9 3.2/10624=71...(13) QG2 VAL 132 + H ARG 135 OK 89 99 90 99 5.0-5.6 3.2/10624=71...(14) HG2 LYS 39 - H ARG 135 far 5 100 5 - 5.2-8.7 HG3 LYS 39 - H ARG 135 far 0 73 0 - 5.7-8.6 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 4.1-5.2 4256/7972=90...(14) 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 4.4-5.3 4.3/7972=87...(14) QG2 ILE 80 - H ARG 135 poor 20 100 20 - 5.7-7.9 HG13 ILE 80 - H ARG 135 far 5 96 5 - 6.4-9.3 QG2 ILE 129 - H ARG 135 far 0 97 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 10642 from nnoeabs.peaks (7.27, 8.71, 120.74 ppm; 6.18 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + H HIS 10 OK 100 100 100 100 2.9-5.7 6.0=100 Violated in 0 structures by 0.00 A. Peak 10647 from nnoeabs.peaks (1.37, 8.41, 122.27 ppm; 5.82 A): 1 out of 6 assignments used, quality = 0.96: QB ALA 12 + H MET 11 OK 96 97 100 100 4.9-5.9 6080/4.6=84, ~6074=75...(6) QB ALA 15 - H MET 11 far 10 96 10 - 4.7-13.5 HG2 LYS 24 - H MET 11 far 0 98 0 - 8.1-30.9 HG2 LYS 19 - H MET 11 far 0 99 0 - 8.4-22.8 HG3 LYS 26 - H MET 11 far 0 97 0 - 9.6-34.6 HB3 LEU 100 - H MET 11 far 0 98 0 - 9.8-49.6 Violated in 3 structures by 0.00 A. Peak 10653 from nnoeabs.peaks (2.02, 8.44, 118.33 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.43: HB3 MET 11 + H ASN 13 OK 43 100 65 66 2.7-7.5 146/4.3=65 QE MET 11 - H ASN 13 far 12 78 15 - 4.8-9.0 HB VAL 20 - H ASN 13 far 0 89 0 - 9.1-19.4 Violated in 19 structures by 0.87 A. Peak 10655 from nnoeabs.peaks (1.37, 7.60, 112.82 ppm; 5.38 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 12 + HD21 ASN 13 OK 98 99 100 99 3.2-5.1 10657/1.7=92...(4) QB ALA 15 - HD21 ASN 13 poor 15 92 35 47 4.3-9.1 11759/3.5=24...(3) HG2 LYS 19 - HD21 ASN 13 far 0 100 0 - 6.4-17.2 QB ALA 21 - HD21 ASN 13 far 0 68 0 - 7.9-17.1 Violated in 0 structures by 0.00 A. Peak 10657 from nnoeabs.peaks (1.36, 6.90, 112.82 ppm; 4.81 A): 1 out of 6 assignments used, quality = 0.93: QB ALA 12 + HD22 ASN 13 OK 93 100 100 93 3.3-4.8 10655/1.7=57...(4) QB ALA 15 - HD22 ASN 13 far 13 87 15 - 3.5-9.8 HG2 LYS 19 - HD22 ASN 13 far 5 100 5 - 5.3-18.2 QB ALA 46 - HE21 GLN 134 far 0 45 0 - 7.3-10.3 QB ALA 21 - HD22 ASN 13 far 0 76 0 - 8.2-16.7 HB2 LEU 42 - HE21 GLN 134 far 0 60 0 - 9.8-12.9 Violated in 1 structures by 0.00 A. Peak 10659 from nnoeabs.peaks (1.35, 8.37, 109.62 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.66: QB ALA 15 + H GLY 14 OK 57 65 90 96 3.4-5.6 2.9/6113=67...(10) QB ALA 12 + H GLY 14 OK 23 100 25 91 2.6-6.3 6085/4.7=55, 5.0/6106=53...(6) QB ALA 21 - H GLY 14 far 0 93 0 - 7.6-13.2 HG2 LYS 19 - H GLY 14 far 0 98 0 - 8.0-14.7 Violated in 6 structures by 0.01 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 TYR 76 far 0 39 0 - 9.3-13.6 Violated in 20 structures by 8.00 A. Peak 10667 from nnoeabs.peaks (0.93, 8.03, 122.31 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.41: QG2 ILE 37 + H TYR 76 OK 41 47 90 98 2.8-5.0 10833/3.0=61...(12) QG1 VAL 20 - H ALA 16 far 4 73 5 - 4.6-9.7 QG1 VAL 20 - H TYR 76 far 0 29 0 - 7.1-27.3 QG1 VAL 126 - H TYR 76 far 0 28 0 - 9.8-11.2 Violated in 15 structures by 0.37 A. Peak 10683 from nnoeabs.peaks (1.36, 7.97, 113.82 ppm; 3.82 A): 2 out of 7 assignments used, quality = 0.86: HG2 LYS 19 + H THR 18 OK 75 99 100 76 2.7-4.0 6151/6144=41...(9) QB ALA 21 + H THR 18 OK 44 90 85 57 3.3-6.2 10686/6139=27...(6) QB ALA 15 - H THR 18 far 11 71 15 - 3.0-8.6 QB ALA 12 - H THR 18 far 0 100 0 - 6.6-14.5 QB ALA 28 - H THR 18 far 0 68 0 - 7.6-17.9 HG2 LYS 24 - H THR 18 far 0 78 0 - 7.6-15.1 QB ALA 29 - H THR 18 far 0 76 0 - 9.3-21.0 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 4 assignments used, quality = 1.00: QG1 VAL 20 + H LYS 19 OK 100 100 100 100 3.8-5.0 348/6159=77...(12) QD1 LEU 22 - H LYS 19 far 5 93 5 - 4.9-10.5 QG2 VAL 20 - H LYS 19 far 4 89 5 - 3.9-6.4 QG2 ILE 37 - H LYS 19 far 0 65 0 - 9.4-23.8 Violated in 5 structures by 0.05 A. Peak 10699 from nnoeabs.peaks (3.98, 8.35, 123.97 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.89: HA2 GLY 17 + H LYS 19 OK 75 90 100 83 3.1-5.0 3.6/6144=73...(5) HA3 GLY 17 + H LYS 19 OK 58 90 80 80 3.3-5.4 3.6/6144=73...(5) HA VAL 20 - H LYS 19 far 5 95 5 - 5.2-5.6 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 3.5-3.5 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 = 0.98: QG2 THR 18 + H VAL 20 OK 98 100 100 98 1.9-5.4 4.3/6159=84...(6) HG12 ILE 32 - H VAL 20 far 0 95 0 - 7.0-19.1 QG2 THR 25 - H VAL 20 far 0 96 0 - 8.6-12.4 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...(5) 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 = 0.75: QB ALA 21 + H ARG 23 OK 75 100 95 79 4.5-5.9 6186/4.6=63...(4) HG2 LYS 19 - H ARG 23 far 0 71 0 - 6.7-9.1 Violated in 18 structures by 0.29 A. Peak 10733 from nnoeabs.peaks (0.92, 8.37, 122.93 ppm; 4.81 A): 1 out of 5 assignments used, quality = 0.66: QD1 LEU 22 + H LYS 24 OK 66 78 95 89 2.4-5.8 3.1/6216=38...(9) QG2 VAL 20 - H LYS 24 poor 15 71 45 47 2.0-7.5 10727/424=22...(4) QG1 VAL 20 - H LYS 24 far 10 98 10 - 3.8-8.5 QD1 LEU 48 - H LYS 24 far 0 99 0 - 8.1-28.5 QD2 LEU 48 - H LYS 24 far 0 99 0 - 9.5-30.9 Violated in 6 structures by 0.19 A. Peak 10740 from nnoeabs.peaks (1.19, 8.37, 122.93 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 25 + H LYS 24 OK 99 99 100 99 4.2-5.5 6242/6230=97...(6) QG2 THR 18 - H LYS 24 far 4 78 5 - 5.4-11.3 Violated in 7 structures by 0.03 A. Peak 10758 from nnoeabs.peaks (1.19, 8.39, 121.72 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.45: QG2 THR 25 + H GLN 27 OK 45 100 55 81 2.8-7.2 6248/4.6=56...(8) HG12 ILE 32 - H GLN 27 poor 17 68 30 82 3.3-9.6 10764/4.6=39...(11) QG2 THR 18 - H GLN 27 far 0 89 0 - 7.3-15.6 Violated in 18 structures by 1.28 A. Peak 10769 from nnoeabs.peaks (1.83, 8.33, 125.44 ppm; 4.55 A): 1 out of 6 assignments used, quality = 0.20: HB3 LYS 26 + H ALA 28 OK 20 92 30 74 3.0-7.1 6263/4.6=49...(5) HB3 LYS 31 - H ALA 28 far 12 78 15 - 4.4-9.4 HB3 ARG 23 - H ALA 28 far 10 97 10 - 4.6-14.9 HB ILE 32 - H ALA 28 far 0 90 0 - 6.3-9.8 HB3 LYS 19 - H ALA 28 far 0 78 0 - 6.6-16.3 HB3 LYS 24 - H ALA 28 far 0 83 0 - 7.5-13.7 Violated in 14 structures by 1.15 A. Peak 10770 from nnoeabs.peaks (1.76, 8.33, 125.44 ppm; 4.48 A): 0 out of 5 assignments used, quality = 0.00: HB2 LYS 26 - H ALA 28 far 14 96 15 - 4.7-7.9 HB2 ARG 23 - H ALA 28 far 5 99 5 - 4.9-15.2 HB2 LYS 31 - H ALA 28 lone 3 85 25 15 3.2-10.2 4.0/6307=11, 2810/6297=4 HB2 LYS 24 - H ALA 28 far 0 92 0 - 6.1-13.2 HB2 LYS 19 - H ALA 28 far 0 96 0 - 7.1-17.5 Violated in 16 structures by 1.04 A. Peak 10771 from nnoeabs.peaks (1.67, 8.33, 125.44 ppm; 5.41 A): 2 out of 8 assignments used, quality = 0.41: HD3 LYS 26 + H ALA 28 OK 25 97 30 87 4.3-9.0 3.5/10769=77...(7) HD2 LYS 26 + H ALA 28 OK 21 98 25 86 3.6-10.0 3.5/10769=77...(7) HD2 LYS 31 - H ALA 28 far 5 99 5 - 6.1-10.9 HD3 LYS 31 - H ALA 28 far 5 98 5 - 6.0-10.4 HD2 LYS 19 - H ALA 28 far 0 83 0 - 7.3-19.3 HD3 LYS 19 - H ALA 28 far 0 83 0 - 8.0-20.1 HD3 LYS 24 - H ALA 28 far 0 98 0 - 8.7-14.8 HD2 LYS 24 - H ALA 28 far 0 99 0 - 9.6-16.1 Violated in 15 structures by 1.36 A. Peak 10772 from nnoeabs.peaks (1.19, 8.33, 125.44 ppm; 5.25 A): 1 out of 3 assignments used, quality = 0.37: HG12 ILE 32 + H ALA 28 OK 37 76 50 97 4.5-8.3 10764/4.9=54...(20) QG2 THR 25 - H ALA 28 poor 17 100 25 68 2.3-8.7 10758/4.6=44...(6) QG2 THR 18 - H ALA 28 far 0 93 0 - 6.9-17.2 Violated in 17 structures by 1.10 A. Peak 10787 from nnoeabs.peaks (1.96, 8.25, 122.97 ppm; 4.41 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLU 30 + H ALA 29 OK 100 100 100 100 4.5-5.3 10791/3.7=70...(23) HB2 GLU 30 + H LYS 31 OK 50 51 100 100 2.0-3.9 4.6=86, 6318/4.6=61...(15) HB2 GLN 27 + H ALA 29 OK 40 98 45 91 3.0-8.0 1.8/10788=66...(16) HB2 GLN 27 - H LYS 31 poor 12 47 25 - 3.4-8.9 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 2 assignments used, quality = 0.46: HB3 GLN 27 + H ALA 29 OK 46 99 50 93 2.4-7.4 6298/4.6=60...(14) HB3 GLN 27 - H LYS 31 poor 5 49 50 22 4.3-9.0 6298/6307=13...(4) Violated in 11 structures by 0.94 A. Peak 10802 from nnoeabs.peaks (0.80, 8.23, 122.66 ppm; 4.75 A): 2 out of 5 assignments used, quality = 0.79: QD1 ILE 32 + H LYS 31 OK 70 73 100 95 4.3-5.5 ~10816=39, 2.1/6333=37...(17) QD1 ILE 32 + H ALA 29 OK 31 31 100 100 2.0-4.4 11488/2.9=91...(23) QG1 VAL 63 - H ALA 29 far 0 38 0 - 8.6-24.5 QD1 ILE 37 - H LYS 31 far 0 78 0 - 9.2-10.5 QD1 ILE 37 - H ALA 29 far 0 33 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 10806 from nnoeabs.peaks (8.35, 8.14, 122.30 ppm; 3.87 A): 0 out of 4 assignments used, quality = 0.00: H ALA 28 - H ILE 32 far 4 71 5 - 4.6-8.4 H LYS 26 - H ILE 32 far 0 87 0 - 6.1-14.8 H LYS 24 - H ILE 32 far 0 89 0 - 7.9-19.2 H LYS 19 - H ILE 32 far 0 100 0 - 9.4-20.6 Violated in 20 structures by 2.43 A. Peak 10819 from nnoeabs.peaks (4.23, 8.14, 122.30 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.98: HA ALA 29 + H ILE 32 OK 94 100 95 99 2.8-5.8 10734/6352=59...(14) HA GLU 30 + H ILE 32 OK 71 100 90 79 3.1-4.6 3.0/10829=34...(9) HA GLN 27 - H ILE 32 far 0 93 0 - 4.6-10.5 HA ALA 28 - H ILE 32 far 0 99 0 - 5.8-9.2 HB THR 25 - H ILE 32 far 0 63 0 - 7.0-15.2 HA ALA 34 - H ILE 32 far 0 100 0 - 8.5-9.1 Violated in 2 structures by 0.01 A. Peak 10829 from nnoeabs.peaks (1.94, 8.14, 122.30 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.82: HB2 GLU 30 + H ILE 32 OK 82 83 100 99 4.2-5.6 1.8/10830=74...(12) HB2 GLN 27 - H ILE 32 far 6 60 10 - 4.3-10.1 Violated in 10 structures by 0.28 A. Peak 10830 from nnoeabs.peaks (2.02, 8.14, 122.30 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLU 30 + H ILE 32 OK 99 100 100 99 4.4-5.3 1.8/10829=84...(8) HB VAL 20 - H ILE 32 far 0 85 0 - 8.1-21.8 QE MET 11 - H ILE 32 far 0 83 0 - 9.2-31.3 Violated in 7 structures by 0.09 A. Peak 10855 from nnoeabs.peaks (1.67, 8.23, 119.56 ppm; 4.47 A): 2 out of 10 assignments used, quality = 0.77: HD2 LYS 36 + H SER 33 OK 70 100 75 94 1.9-6.0 10775/3.0=38...(17) HD3 LYS 36 + H SER 33 OK 23 100 25 93 3.1-7.6 10775/3.0=32...(15) HD2 LYS 31 - H SER 33 poor 19 93 20 - 4.8-9.5 HD3 LYS 26 - H SER 33 poor 17 89 25 77 2.8-17.3 10767/6363=45...(9) HD2 LYS 26 - H SER 33 far 14 92 15 - 3.7-18.4 HD3 LYS 31 - H SER 33 far 5 92 5 - 5.0-9.4 HD3 LYS 24 - H SER 33 far 0 92 0 - 6.8-25.0 HD2 LYS 19 - H SER 33 far 0 68 0 - 8.0-22.7 HD2 LYS 24 - H SER 33 far 0 93 0 - 8.2-24.9 HD3 LYS 19 - H SER 33 far 0 68 0 - 9.2-23.6 Violated in 16 structures by 0.34 A. Peak 10867 from nnoeabs.peaks (7.98, 8.43, 125.99 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.95: H LYS 36 + H ALA 34 OK 88 92 100 96 3.9-4.2 10896/6369=55...(7) H ILE 37 + H ALA 34 OK 61 93 95 68 4.9-5.5 10869/3.0=41...(3) H SER 38 - H ALA 34 far 0 100 0 - 6.0-9.8 H THR 18 - H ALA 12 far 0 80 0 - 8.5-17.8 H THR 18 - H ALA 34 far 0 99 0 - 9.4-26.3 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 11 assignments used, quality = 0.99: HB2 LYS 36 + H ALA 34 OK 93 100 95 98 4.6-6.7 10779/949=73...(7) HB ILE 32 + H ALA 34 OK 85 100 85 100 3.9-7.0 6361/6369=96...(13) HB3 LYS 26 - H ALA 34 far 10 100 10 - 5.3-18.0 HB3 LYS 19 - H ALA 34 far 5 100 5 - 4.3-22.5 HB3 LYS 19 - H ALA 12 far 4 82 5 - 4.5-21.8 HB3 LYS 31 - H ALA 34 far 0 100 0 - 8.4-11.3 HB3 LYS 24 - H ALA 12 far 0 83 0 - 8.5-31.6 HB3 ARG 23 - H ALA 34 far 0 99 0 - 9.2-26.1 HB3 LYS 24 - H ALA 34 far 0 100 0 - 9.3-27.5 HB3 LYS 26 - H ALA 12 far 0 83 0 - 9.6-33.6 HB2 CYS 79 - H ALA 34 far 0 78 0 - 9.7-13.4 Violated in 1 structures by 0.04 A. Peak 10884 from nnoeabs.peaks (1.82, 8.38, 118.19 ppm; 4.29 A): 2 out of 12 assignments used, quality = 0.97: HB2 LYS 36 + H ASP 35 OK 92 100 95 97 4.1-5.3 6392/6385=82, ~10804=32...(11) HB ILE 32 + H ASP 35 OK 60 100 85 70 3.6-8.0 10810/4.6=32...(6) HB3 LYS 19 - H ASP 35 far 0 98 0 - 5.7-23.3 HB2 LEU 100 - H THR 65 far 0 98 0 - 6.9-9.7 HB3 LYS 26 - H ASP 35 far 0 100 0 - 7.1-17.5 HB3 LEU 103 - H THR 65 far 0 58 0 - 7.4-11.0 HB3 LEU 122 - H THR 65 far 0 61 0 - 8.1-10.7 HB3 ARG 23 - H ASP 35 far 0 100 0 - 8.1-25.3 HB2 CYS 79 - H ASP 35 far 0 87 0 - 8.6-12.6 HB3 LEU 123 - H THR 65 far 0 75 0 - 9.7-12.8 HB3 LYS 24 - H ASP 35 far 0 99 0 - 9.9-27.3 HB3 LYS 31 - H ASP 35 far 0 98 0 - 9.9-11.4 Violated in 1 structures by 0.05 A. Peak 10890 from nnoeabs.peaks (1.27, 8.00, 120.91 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.96: HG12 ILE 37 + H LYS 36 OK 96 96 100 100 2.7-3.1 2.9/10894=84...(15) Violated in 0 structures by 0.00 A. Peak 10891 from nnoeabs.peaks (0.94, 8.00, 120.91 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 37 + H LYS 36 OK 100 100 100 100 4.5-5.4 2.1/10894=88...(17) Violated in 19 structures by 0.32 A. Peak 10892 from nnoeabs.peaks (0.85, 8.00, 120.91 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 32 + H LYS 36 OK 99 100 100 99 3.5-5.2 10810/6393=72...(10) QD2 LEU 22 - H LYS 36 far 0 93 0 - 8.6-24.4 Violated in 2 structures by 0.03 A. Peak 10893 from nnoeabs.peaks (0.79, 8.00, 120.91 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 37 + H LYS 36 OK 93 93 100 100 3.0-3.6 3.2/10894=84...(22) QD1 ILE 32 + H LYS 36 OK 35 90 40 97 5.9-7.9 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; 4.24 A): 1 out of 1 assignment used, quality = 0.69: HB ILE 37 + H LYS 36 OK 69 100 70 99 4.8-5.5 6413/4.4=58...(14) Violated in 20 structures by 0.84 A. Peak 10896 from nnoeabs.peaks (8.23, 8.00, 120.91 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.87: H SER 33 + H LYS 36 OK 87 100 100 88 3.4-5.2 6362/10892=54...(10) H ALA 29 - H LYS 36 far 0 81 0 - 8.7-14.1 H LYS 31 - H LYS 36 far 0 99 0 - 9.6-11.2 Violated in 11 structures by 0.17 A. Peak 10904 from nnoeabs.peaks (1.17, 7.97, 121.77 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 41 + H ILE 37 OK 100 100 100 100 3.2-5.5 10819/6414=82...(13) HG12 ILE 32 - H ILE 37 far 0 100 0 - 7.5-10.5 QG2 THR 25 - H ILE 37 far 0 83 0 - 8.4-18.5 QG2 THR 18 - H ILE 37 far 0 100 0 - 9.5-23.4 Violated in 10 structures by 0.16 A. Peak 10926 from nnoeabs.peaks (1.40, 8.28, 116.30 ppm; 6.80 A): 6 out of 10 assignments used, quality = 1.00: HG LEU 96 + H SER 99 OK 88 89 100 99 5.1-6.1 3090/3.4=43, ~3106=38...(20) HB2 LEU 42 + H GLU 40 OK 84 85 100 98 4.9-5.7 1147/3.6=79...(5) HB2 LEU 96 + H SER 99 OK 73 73 100 100 5.4-6.4 4.4/7350=46, ~7388=37...(28) HB3 LEU 100 + H SER 99 OK 72 72 100 100 4.2-6.2 3.0/11880=92...(29) HG3 LYS 95 + H SER 99 OK 63 81 90 86 5.6-8.3 3.9/2960=44, 2998=21...(11) HG2 LYS 95 + H SER 99 OK 44 84 65 82 6.9-8.3 3.9/2960=44, 1.8/3009=20...(9) HG2 LYS 36 - H GLU 40 far 13 89 15 - 7.1-11.2 QB ALA 108 - H SER 99 far 4 80 5 - 7.1-14.6 QB ALA 34 - H GLU 40 far 0 81 0 - 7.9-12.4 QB ALA 29 - H GLU 40 far 0 89 0 - 10.0-19.4 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 3.8-5.4 9055/2.8=84, 9119/3.6=59...(26) QD2 LEU 100 - H SER 99 far 7 47 15 - 5.7-6.4 Violated in 3 structures by 0.03 A. Peak 10934 from nnoeabs.peaks (4.01, 7.89, 122.33 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 38 + H ALA 41 OK 100 100 100 100 2.4-4.2 1.8/9033=80, 9043/3.0=71...(10) HA ILE 37 + H ALA 41 OK 79 100 80 100 4.9-5.8 10815/3.0=67, ~10819=41...(11) HD3 PRO 81 - H ALA 41 far 0 78 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 10940 from nnoeabs.peaks (2.06, 8.29, 119.18 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.83: HB3 GLU 40 + H LEU 43 OK 52 83 75 84 5.6-6.0 4.6/6496=43, 3.0/6495=41...(6) HB3 GLU 44 + H LEU 43 OK 52 78 70 95 4.4-6.4 4.7/6535=55, 1410/3.9=51...(8) HB3 LYS 39 + H LEU 43 OK 24 76 35 91 5.2-6.4 3.0/6494=55...(9) HG3 GLN 134 - H LEU 43 far 0 68 0 - 6.2-9.5 HG3 PRO 81 - H LEU 43 far 0 100 0 - 8.4-15.2 Violated in 5 structures by 0.01 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 99 4.4-5.0 1285/3.9=69, 9066/3.6=55...(13) HG3 LYS 39 + H LEU 43 OK 86 87 100 99 3.4-4.9 11901/6509=64...(16) QG2 THR 25 - H LEU 43 far 0 95 0 - 9.6-27.2 Violated in 0 structures by 0.00 A. Peak 10950 from nnoeabs.peaks (0.88, 8.54, 121.48 ppm; 5.01 A): 1 out of 7 assignments used, quality = 0.98: QD2 LEU 69 + H ALA 46 OK 98 98 100 100 2.3-5.1 2.1/9165=94, 11085=89...(22) QD2 LEU 98 - H HIS 5 far 5 93 5 - 4.9-59.3 QD2 LEU 123 - H ALA 46 far 0 99 0 - 6.9-11.3 QD1 LEU 98 - H HIS 5 far 0 80 0 - 7.2-57.5 QD2 LEU 70 - H ALA 46 far 0 78 0 - 8.1-9.9 QG1 VAL 118 - H HIS 5 far 0 70 0 - 9.5-56.1 QG2 ILE 32 - H ALA 46 far 0 73 0 - 9.9-16.5 Violated in 1 structures by 0.01 A. Peak 10963 from nnoeabs.peaks (0.81, 8.03, 125.41 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.85: QD1 LEU 53 + H ALA 52 OK 85 85 100 100 3.1-5.3 6667/3.3=54, ~6668=46...(21) QD2 LEU 49 - H ALA 52 far 5 90 5 - 5.3-6.4 QD1 LEU 122 - H ALA 52 far 0 99 0 - 6.7-9.5 QD2 LEU 119 - H ALA 52 far 0 96 0 - 6.8-9.7 QD2 LEU 122 - H ALA 52 far 0 68 0 - 7.1-10.8 Violated in 14 structures by 0.14 A. Peak 10968 from nnoeabs.peaks (1.41, 8.01, 121.40 ppm; 5.06 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - H VAL 57 far 0 89 0 - 7.2-12.7 QB ALA 110 - H VAL 57 far 0 76 0 - 7.6-12.9 QB ALA 108 - H VAL 57 far 0 81 0 - 7.8-13.9 Violated in 20 structures by 2.63 A. Peak 10969 from nnoeabs.peaks (1.87, 8.01, 121.40 ppm; 4.84 A): 0 out of 2 assignments used, quality = 0.00: HB3 LEU 119 - H VAL 57 far 0 100 0 - 6.0-8.7 HB3 LEU 123 - H VAL 57 far 0 100 0 - 9.8-11.9 Violated in 20 structures by 2.55 A. Peak 10975 from nnoeabs.peaks (2.42, 8.66, 113.17 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.98: HB3 PRO 58 + H SER 60 OK 98 99 100 99 4.0-4.4 2.3/9338=63, 9330=58...(14) HG3 GLN 61 - H SER 60 far 5 99 5 - 5.0-7.3 HG3 GLU 55 - H SER 50 far 0 66 0 - 8.1-12.3 HG3 GLN 61 - H SER 50 far 0 92 0 - 8.3-11.9 Violated in 2 structures by 0.01 A. Peak 10978 from nnoeabs.peaks (2.03, 8.66, 113.17 ppm; 4.39 A): 2 out of 10 assignments used, quality = 0.99: HG2 PRO 58 + H SER 60 OK 98 100 100 98 3.7-4.5 2.3/10975=73...(16) HB VAL 63 + H SER 60 OK 67 98 70 98 4.7-5.9 2020/2.8=72, ~10978=46...(11) HB2 LEU 62 - H SER 60 poor 16 68 30 78 5.1-6.7 1880/3.6=47...(6) HB2 GLN 127 - H SER 50 far 0 59 0 - 6.1-8.7 QE MET 11 - H SER 60 far 0 97 0 - 7.7-41.3 HB3 GLU 55 - H SER 50 far 0 88 0 - 8.5-11.2 HB ILE 129 - H SER 50 far 0 54 0 - 8.7-10.0 HB2 GLU 44 - H SER 50 far 0 91 0 - 9.1-10.6 HB2 LEU 62 - H SER 50 far 0 59 0 - 9.3-11.2 HB VAL 118 - H SER 60 far 0 68 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 10979 from nnoeabs.peaks (1.96, 8.66, 113.17 ppm; 4.28 A): 3 out of 3 assignments used, quality = 0.95: HB2 PRO 58 + H SER 60 OK 90 90 100 99 2.3-2.9 1.8/10975=77...(14) HB3 LEU 53 + H SER 50 OK 35 52 70 96 4.4-6.7 ~9218=31, ~9218=31...(16) HG LEU 53 + H SER 50 OK 23 52 45 99 4.4-7.1 ~9218=41, ~9218=41...(23) 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 93 2.7-3.3 1.8/9331=57...(11) 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 8 assignments used, quality = 1.00: QG2 VAL 63 + H GLN 61 OK 99 100 100 100 4.2-5.4 9379/2.8=84...(13) QD1 LEU 62 + H GLN 61 OK 98 99 100 98 4.4-5.9 2005/3.9=79...(7) QD1 LEU 49 - H GLN 61 far 0 99 0 - 7.3-11.0 QG2 VAL 112 - H GLN 61 far 0 89 0 - 7.6-12.2 QD2 LEU 48 - H GLN 61 far 0 100 0 - 7.7-9.5 QD1 LEU 22 - H GLN 61 far 0 96 0 - 7.8-39.5 QD1 LEU 48 - H GLN 61 far 0 89 0 - 8.0-10.6 QG1 VAL 118 - H GLN 61 far 0 99 0 - 8.5-10.1 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 4 assignments used, quality = 1.00: HG LEU 62 + H GLN 61 OK 100 100 100 100 4.4-5.2 6794/3.9=95...(8) HD3 LYS 24 - H GLN 61 far 0 99 0 - 8.2-42.8 HD2 LYS 24 - H GLN 61 far 0 99 0 - 8.5-44.0 HD2 LYS 26 - H GLN 61 far 0 99 0 - 9.7-43.0 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 6 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 2.6-4.1 4.6=100 HA2 GLY 111 - H GLN 61 lone 2 100 60 3 5.0-14.9 HA3 GLY 111 - H GLN 61 lone 1 89 60 3 5.7-13.5 HB2 SER 107 - H GLN 61 lone 1 99 25 4 5.9-14.0 11923/11712=1 HD3 PRO 113 - H GLN 61 far 0 98 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 10993 from nnoeabs.peaks (0.80, 7.43, 120.60 ppm; 4.54 A): 2 out of 8 assignments used, quality = 0.82: QD2 LEU 119 + H LEU 62 OK 76 100 85 89 4.8-8.9 10992/6794=72...(8) QD1 LEU 103 + H LEU 62 OK 27 83 40 82 4.5-6.4 ~11841=46, 9395/3.9=26...(7) QD2 LEU 49 - H LEU 62 far 5 100 5 - 4.8-7.9 QD1 LEU 53 - H LEU 62 far 5 99 5 - 5.4-10.5 QD1 LEU 122 - H LEU 62 far 0 100 0 - 5.5-7.8 QG1 VAL 63 - H LEU 62 far 0 85 0 - 5.6-6.0 QD2 LEU 122 - H LEU 62 far 0 92 0 - 5.9-9.0 QD1 LEU 70 - H LEU 62 far 0 89 0 - 9.9-13.5 Violated in 15 structures by 0.16 A. Peak 11022 from nnoeabs.peaks (3.95, 7.96, 120.19 ppm; 3.46 A): 0 out of 6 assignments used, quality = 0.00: HA THR 65 - H ASP 64 far 0 83 0 - 5.2-5.4 HB3 SER 107 - H ASP 64 far 0 97 0 - 6.8-13.7 HB2 SER 107 - H ASP 64 far 0 63 0 - 6.9-15.0 HA LEU 100 - H ASP 64 far 0 97 0 - 7.7-8.7 HA2 GLY 111 - H ASP 64 far 0 85 0 - 9.2-16.5 HA3 GLY 111 - H ASP 64 far 0 100 0 - 9.3-15.7 Violated in 20 structures by 1.71 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 3.0-4.9 10045=95, 11037/6864=77...(16) QD1 ILE 129 - H GLY 66 far 0 60 0 - 9.0-11.1 QD1 LEU 42 - H GLY 66 far 0 78 0 - 9.5-10.6 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 2.2-4.1 2.1/9461=80...(19) QD1 LEU 42 - H HIS 67 far 0 73 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 11043 from nnoeabs.peaks (8.11, 6.86, 112.26 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.65: H ASN 121 + HD21 ASN 121 OK 50 50 100 100 3.6-4.8 5.6=100 H ASP 71 + HE21 GLN 68 OK 29 76 40 95 7.3-8.8 2127/5.2=59...(10) H THR 25 - HE21 GLN 27 far 6 64 10 - 4.5-12.1 H ILE 32 - HE21 GLN 27 lone 1 41 60 3 3.0-11.8 H ILE 32 - HE21 GLN 68 far 0 68 0 - 8.9-20.6 H THR 25 - HE21 GLN 68 far 0 97 0 - 9.7-32.8 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 3 assignments used, quality = 0.00: H ASP 71 - HE22 GLN 68 far 0 98 0 - 8.7-9.5 H ILE 32 - HE22 GLN 68 far 0 96 0 - 9.1-20.5 H THR 25 - HE22 GLN 68 far 0 71 0 - 9.4-32.4 Violated in 20 structures by 2.05 A. Peak 11056 from nnoeabs.peaks (0.78, 8.30, 120.25 ppm; 4.34 A): 2 out of 10 assignments used, quality = 0.94: QD2 LEU 49 + H LEU 69 OK 81 89 95 97 3.8-5.5 9431/11068=34, 1572=30...(18) QD1 LEU 96 + H LEU 69 OK 66 99 75 89 4.1-5.7 11710/2.9=51...(12) QD2 LEU 122 - H LEU 69 far 0 99 0 - 5.4-8.9 QD1 LEU 122 - H LEU 69 far 0 65 0 - 5.4-8.8 QD1 ILE 32 - H LEU 69 far 0 100 0 - 6.1-17.9 QG1 VAL 63 - H LEU 69 far 0 100 0 - 6.6-8.1 QD1 ILE 37 - H LEU 69 far 0 100 0 - 7.4-9.5 QD1 LEU 53 - H LEU 69 far 0 93 0 - 7.5-12.8 QD1 LEU 103 - H LEU 69 far 0 100 0 - 8.7-11.2 QD2 LEU 43 - H LEU 69 far 0 71 0 - 8.8-10.6 Violated in 4 structures by 0.07 A. Peak 11068 from nnoeabs.peaks (1.23, 8.30, 120.25 ppm; 6.02 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 65 + H LEU 69 OK 100 100 100 100 3.7-5.4 9443/3.7=97...(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 3.5-4.6 11493/6941=55...(14) QD1 LEU 42 - H LEU 70 far 4 71 5 - 5.2-6.5 Violated in 6 structures by 0.06 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 3 60 5 - 5.0-7.1 Violated in 20 structures by 1.83 A. Peak 11100 from nnoeabs.peaks (8.65, 8.46, 121.15 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.98: H HIS 67 + H LEU 70 OK 98 98 100 100 4.6-5.5 2.9/6936=74...(22) Violated in 15 structures by 0.31 A. Peak 11121 from nnoeabs.peaks (0.84, 8.85, 116.83 ppm; 4.86 A): 4 out of 7 assignments used, quality = 0.94: QD2 LEU 70 + H CYS 73 OK 67 97 70 99 4.8-6.1 2269/6989=65...(12) QG2 ILE 129 + H CYS 73 OK 60 73 100 81 4.6-5.4 9083/9565=33...(10) QD1 LEU 70 + H CYS 73 OK 35 65 55 98 4.1-6.7 11123/7007=62...(13) QD2 LEU 69 + H CYS 73 OK 26 73 35 100 5.1-6.2 2.1/11084=71...(24) QG1 VAL 133 - H CYS 73 far 0 98 0 - 6.6-8.5 QG2 ILE 32 - H CYS 73 far 0 98 0 - 7.6-13.6 HG13 ILE 80 - H CYS 73 far 0 78 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 11123 from nnoeabs.peaks (0.84, 8.41, 115.94 ppm; 4.64 A): 1 out of 8 assignments used, quality = 0.36: QD1 LEU 70 + H SER 74 OK 36 76 55 86 3.0-6.5 9490/4.4=33, 3.8/7003=32...(11) QD2 LEU 70 - H SER 74 poor 18 92 20 - 4.9-7.1 QG2 ILE 129 - H SER 74 far 0 83 0 - 5.7-6.7 QD2 LEU 69 - H SER 74 far 0 63 0 - 6.5-8.3 QG1 VAL 133 - H SER 74 far 0 100 0 - 7.6-9.9 QG2 ILE 32 - H SER 74 far 0 95 0 - 8.2-13.9 HG13 ILE 80 - H SER 74 far 0 87 0 - 9.3-11.8 QD1 LEU 98 - H SER 74 far 0 81 0 - 10.0-13.4 Violated in 9 structures by 0.71 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 2.8-5.0 10833/3.0=100...(12) QG1 VAL 20 - H ALA 16 poor 19 28 70 - 4.6-9.7 QG1 VAL 20 - H TYR 76 far 4 71 5 - 7.1-27.3 QG1 VAL 126 - H TYR 76 far 0 73 0 - 9.8-11.2 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 2 assignments used, quality = 0.81: HZ PHE 89 + H TYR 76 OK 81 90 90 100 4.4-5.9 2.2/11140=73...(8) HE ARG 90 - H TYR 76 far 0 60 0 - 6.9-9.8 Violated in 16 structures by 0.30 A. Peak 11140 from nnoeabs.peaks (7.43, 8.04, 121.95 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.71: QE PHE 89 + H TYR 76 OK 71 71 100 100 3.5-5.1 2.2/11139=76...(13) Violated in 3 structures by 0.02 A. Peak 11146 from nnoeabs.peaks (6.85, 7.54, 116.56 ppm; 5.63 A): 0 out of 0 assignments used, quality = 0.00: Peak 11147 from nnoeabs.peaks (7.80, 7.54, 116.56 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.92: H GLY 75 + H VAL 77 OK 92 96 100 96 3.5-4.5 9583=64, 9593/2394=40...(10) H ALA 92 - H VAL 77 far 0 87 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 11162 from nnoeabs.peaks (4.32, 8.04, 116.97 ppm; 4.86 A): 2 out of 4 assignments used, quality = 0.99: HA TYR 76 + H CYS 79 OK 99 99 100 99 3.2-3.5 2361=49, 9736/9699=42...(16) HA2 GLY 75 + H CYS 79 OK 50 100 55 91 5.1-6.4 9603/9697=37...(9) HA PRO 81 - H CYS 79 far 0 85 0 - 7.1-7.5 HA SER 74 - H CYS 79 far 0 65 0 - 7.1-8.5 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 2.6-2.9 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 1 assignment used, quality = 0.88: H PHE 87 + H ARG 84 OK 88 89 100 100 5.1-5.6 2530/2.8=85, 7150/3.6=67...(6) Violated in 0 structures by 0.00 A. Peak 11198 from nnoeabs.peaks (2.08, 9.00, 120.08 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.89: HB3 GLN 82 + H ARG 84 OK 89 89 100 100 3.7-5.0 1.8/9778=92, 3.0/9779=63...(8) HG3 PRO 81 - H ARG 84 far 0 72 0 - 7.2-9.2 Violated in 1 structures by 0.00 A. Peak 11199 from nnoeabs.peaks (8.88, 8.88, 122.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + H THR 83 OK 100 100 - 100 Peak 11201 from nnoeabs.peaks (8.55, 8.88, 122.71 ppm; 4.76 A): 0 out of 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 2.6-2.9 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 2.6-3.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 11205 from nnoeabs.peaks (3.75, 8.88, 122.71 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: HA THR 83 + H THR 83 OK 100 100 100 100 2.7-2.8 2.8=100 HA VAL 133 - H THR 83 far 0 89 0 - 8.4-11.6 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 3.9-5.5 1.8/11223=55...(7) HG3 GLN 82 + H THR 83 OK 93 95 100 98 3.6-5.4 11223=51, 11243/3.6=49...(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 - 7.1-8.8 Violated in 0 structures by 0.00 A. Peak 11246 from nnoeabs.peaks (2.24, 7.64, 112.44 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.94: HB2 PRO 81 + HE22 GLN 82 OK 94 95 100 99 3.4-5.0 1.8/11248=79...(9) Violated in 8 structures by 0.02 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 2.2-4.7 2.3/11246=69...(11) HG3 ARG 135 - HE22 GLN 82 far 0 83 0 - 5.7-11.0 HB3 LYS 39 - HE22 GLN 82 far 0 68 0 - 7.8-12.1 HG3 GLN 134 - HE22 GLN 82 far 0 60 0 - 8.1-13.4 Violated in 2 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 97 100 100 2.0-4.0 1.8/11246=80...(12) HB3 LYS 86 - HE22 GLN 82 far 0 100 0 - 8.5-11.3 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 = 0.84: HB2 GLN 82 + HE21 GLN 82 OK 68 68 100 100 3.2-4.9 4.5=100 HB2 PRO 81 + HE21 GLN 82 OK 49 65 75 100 4.6-6.5 2.3/11250=77...(10) Violated in 0 structures by 0.00 A. Peak 11250 from nnoeabs.peaks (2.04, 6.94, 112.44 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.89: HG3 PRO 81 + HE21 GLN 82 OK 89 99 90 100 3.2-6.3 11247/1.7=87, ~11246=59...(12) HG3 ARG 135 - HE21 GLN 82 lone 0 95 30 1 5.1-11.4 HB2 GLN 134 - HE21 GLN 82 far 0 71 0 - 6.9-14.4 Violated in 8 structures by 0.32 A. Peak 11251 from nnoeabs.peaks (1.97, 6.94, 112.44 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.87: HB3 PRO 81 + HE21 GLN 82 OK 65 65 100 100 3.0-5.0 2.3/11250=78, ~11246=69...(11) HG2 PRO 81 + HE21 GLN 82 OK 62 65 95 100 2.6-7.5 1.8/11250=84, ~11247=71...(10) HB3 LYS 86 - HE21 GLN 82 far 0 89 0 - 8.9-11.5 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 = 0.99: HD21 ASN 85 + H GLN 82 OK 99 99 100 100 2.5-5.7 9797/4.0=91, 9798/4.0=72...(7) H ASN 85 + H GLN 82 OK 46 60 100 77 4.1-5.1 11276/4.0=39...(5) HE ARG 84 - H GLN 82 far 5 95 5 - 5.5-11.2 Violated in 0 structures by 0.00 A. Peak 11255 from nnoeabs.peaks (4.61, 7.56, 115.93 ppm; 5.29 A): 1 out of 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 3.5-3.6 3.6=100 HA GLN 134 - H GLN 82 far 0 99 0 - 6.8-11.6 Violated in 0 structures by 0.00 A. Peak 11257 from nnoeabs.peaks (2.44, 7.56, 115.93 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 82 + H GLN 82 OK 96 99 100 97 2.5-4.4 11227=55, 11262/9742=44...(11) HG2 GLN 82 + H GLN 82 OK 96 100 100 96 3.6-4.9 5.1=51, 1.8/11227=50...(10) 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 3.4-4.0 4.1=100 HB VAL 132 - H GLN 82 far 0 71 0 - 7.4-10.2 Violated in 0 structures by 0.00 A. Peak 11259 from nnoeabs.peaks (2.06, 7.56, 115.93 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.98: * HG3 PRO 81 + H GLN 82 OK 95 97 100 98 1.8-3.7 1.8/11914=70, 11265=43...(11) HB3 GLN 82 + H GLN 82 OK 60 60 100 100 2.1-3.2 4.0=100 HG3 ARG 135 - H GLN 82 far 0 57 0 - 6.9-10.0 HB3 LYS 39 - H GLN 82 far 0 90 0 - 8.1-11.6 HG3 GLN 134 - H GLN 82 far 0 85 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 11260 from nnoeabs.peaks (1.95, 7.56, 115.93 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 81 + H GLN 82 OK 100 100 100 100 1.9-3.1 4.1=100 HB3 LYS 86 - H GLN 82 far 5 98 5 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 11261 from nnoeabs.peaks (0.82, 7.56, 115.93 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.98: QG2 ILE 80 + H GLN 82 OK 95 96 100 100 1.8-3.3 9742=93, 11263/4.0=38...(15) HG13 ILE 80 + H GLN 82 OK 65 100 75 87 3.6-6.4 3.2/9742=62, 2.1/9750=26...(10) QG1 VAL 133 - H GLN 82 far 5 97 5 - 4.5-9.5 QG2 ILE 129 - H GLN 82 far 0 100 0 - 9.2-11.0 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 1 assignment used, quality = 1.00: HB3 GLN 82 + H ASN 85 OK 100 100 100 100 2.6-4.7 11234=93, 1.8/11277=81...(12) 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 2.5-4.2 1.8/11234=90...(13) HB VAL 133 - H ASN 85 far 0 93 0 - 7.8-10.7 HG2 GLU 91 - H ASN 85 far 0 76 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 11279 from nnoeabs.peaks (1.90, 7.25, 114.49 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.97: HB2 ARG 135 + HD21 ASN 85 OK 97 100 100 97 1.9-4.9 2.9/9800=57...(10) HB3 ARG 84 - HD21 ASN 85 far 15 100 15 - 5.1-7.6 Violated in 2 structures by 0.02 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 2.8-5.6 4.0/7219=88...(18) Violated in 3 structures by 0.00 A. Peak 11310 from nnoeabs.peaks (3.26, 8.13, 119.27 ppm; 5.38 A): 1 out of 3 assignments used, quality = 0.57: HB3 PHE 87 + H GLU 91 OK 57 63 100 91 4.8-5.6 3.0/7226=68, 2.5/9919=44...(6) HA VAL 93 - H GLU 91 far 0 97 0 - 6.7-7.0 HD3 ARG 135 - H GLU 91 far 0 63 0 - 9.2-12.5 Violated in 3 structures by 0.02 A. Peak 11314 from nnoeabs.peaks (8.67, 7.82, 123.43 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.97: H PHE 89 + H ALA 92 OK 97 97 100 100 4.7-5.2 2.9/7247=93, 3.6/7246=76...(13) Violated in 0 structures by 0.00 A. Peak 11342 from nnoeabs.peaks (1.84, 7.71, 121.43 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.97: HB VAL 93 + H LYS 95 OK 97 97 100 100 4.6-5.1 7281/3.4=76...(26) HB2 LEU 100 - H LYS 95 far 0 90 0 - 8.5-10.6 Violated in 7 structures by 0.04 A. Peak 11355 from nnoeabs.peaks (0.85, 8.27, 124.81 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.98: QD2 LEU 70 + H LEU 96 OK 95 100 95 100 4.3-5.4 11083=97, 11916/3.8=55...(16) QD2 LEU 98 + H LEU 96 OK 69 81 90 95 4.5-5.4 11470/3.6=53...(21) QD1 LEU 98 - H LEU 96 far 15 99 15 - 5.1-6.8 QD2 LEU 69 - H LEU 96 far 0 93 0 - 6.9-8.8 QD2 LEU 123 - H LEU 96 far 0 60 0 - 8.9-11.6 QG1 VAL 133 - H LEU 96 far 0 85 0 - 9.8-12.8 Violated in 7 structures by 0.02 A. Peak 11356 from nnoeabs.peaks (7.84, 8.50, 119.00 ppm; 5.07 A): 0 out of 3 assignments used, quality = 0.00: H GLU 102 - H GLU 97 far 0 99 0 - 7.5-8.8 H ALA 92 - H GLU 97 far 0 71 0 - 7.8-8.2 H GLN 68 - H GLU 97 far 0 85 0 - 9.1-11.7 Violated in 20 structures by 1.89 A. Peak 11367 from nnoeabs.peaks (0.84, 8.50, 119.00 ppm; 3.88 A): 3 out of 5 assignments used, quality = 0.99: QD2 LEU 70 + H GLU 97 OK 96 97 100 100 2.8-3.7 11090/2.8=65...(22) QD1 LEU 70 + H GLU 97 OK 57 65 90 97 3.9-5.2 10000/2.8=61, ~11090=39...(15) QD1 LEU 98 + H GLU 97 OK 32 89 40 91 4.1-5.9 2.1/10021=53...(14) QD2 LEU 69 - H GLU 97 far 0 73 0 - 6.5-8.9 QG2 ILE 129 - H GLU 97 far 0 73 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 11382 from nnoeabs.peaks (0.80, 8.29, 116.35 ppm; 4.47 A): 3 out of 14 assignments used, quality = 0.94: QD2 LEU 122 + H SER 99 OK 81 97 85 98 3.2-6.1 11476/3.7=42...(28) QD1 LEU 96 + H SER 99 OK 56 68 95 86 4.6-5.9 4.0/7372=20, 3106/3.4=17...(20) QD1 LEU 122 + H SER 99 OK 33 98 35 95 3.9-6.6 11702/3.7=27...(23) QD1 LEU 103 - H SER 99 far 0 90 0 - 6.0-8.4 QD1 LEU 70 - H SER 99 far 0 81 0 - 6.4-7.7 QD2 LEU 49 - H SER 99 far 0 100 0 - 7.8-9.5 QG1 VAL 63 - H SER 99 far 0 92 0 - 7.9-9.9 QD1 ILE 37 - H GLU 40 far 0 70 0 - 8.0-9.2 QD1 LEU 53 - H SER 99 far 0 100 0 - 8.0-12.5 QD2 LEU 119 - H SER 99 far 0 100 0 - 8.4-11.2 QG2 ILE 129 - H GLU 40 far 0 59 0 - 8.8-10.2 QG2 ILE 80 - H GLU 40 far 0 75 0 - 9.4-11.2 HG13 ILE 80 - H GLU 40 far 0 54 0 - 9.5-12.3 QG2 ILE 129 - H SER 99 far 0 73 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 11383 from nnoeabs.peaks (1.38, 8.29, 116.35 ppm; 5.46 A): 5 out of 9 assignments used, quality = 1.00: HB3 LEU 100 + H SER 99 OK 100 100 100 100 4.2-6.2 7398/3.4=89...(28) HB2 LEU 96 + H SER 99 OK 94 100 95 99 5.4-6.4 4.4/7350=37, 3.0/7372=32...(26) HG LEU 96 + H SER 99 OK 92 95 100 97 5.1-6.1 2.1/11382=31...(20) HB2 LEU 42 + H GLU 40 OK 83 87 100 95 4.9-5.7 1147/3.6=70...(6) HG3 LYS 95 + H SER 99 OK 28 100 40 70 5.6-8.3 3.9/2960=29...(11) HG2 LYS 95 - H SER 99 far 0 100 0 - 6.9-8.3 QB ALA 108 - H SER 99 far 0 100 0 - 7.1-14.6 HG2 LYS 36 - H GLU 40 far 0 88 0 - 7.1-11.2 QB ALA 29 - H GLU 40 far 0 88 0 - 10.0-19.4 Violated in 0 structures by 0.00 A. Peak 11397 from nnoeabs.peaks (0.89, 7.68, 119.11 ppm; 4.52 A): 3 out of 8 assignments used, quality = 0.93: QG1 VAL 118 + H GLN 101 OK 79 93 90 94 4.4-5.7 10067/3.1=68...(11) QD1 LEU 98 + H GLN 101 OK 53 76 70 99 4.9-6.6 10055/3314=66...(15) QD2 LEU 70 + H GLN 101 OK 30 60 70 72 3.6-6.0 2.1/11097=32...(9) QD2 LEU 98 - H GLN 101 far 5 98 5 - 5.0-7.1 QG2 VAL 63 - H GLN 101 far 4 71 5 - 5.2-7.1 QD2 LEU 69 - H GLN 101 far 0 90 0 - 7.4-10.7 QD1 LEU 62 - H GLN 101 far 0 63 0 - 7.9-10.9 QD1 LEU 49 - H GLN 101 far 0 65 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 11398 from nnoeabs.peaks (0.78, 7.68, 119.11 ppm; 4.45 A): 2 out of 8 assignments used, quality = 0.91: QD2 LEU 122 + H GLN 101 OK 82 100 85 97 4.3-7.5 11489/3.6=30...(22) QD1 LEU 96 + H GLN 101 OK 51 97 60 89 4.7-6.7 3106/3.1=30...(17) QD1 LEU 122 - H GLN 101 poor 19 73 30 88 4.4-7.2 ~10026=27, 11489/3.6=20...(19) QD1 LEU 103 - H GLN 101 far 15 100 15 - 3.9-7.0 QG1 VAL 63 - H GLN 101 far 10 100 10 - 4.7-7.3 QD2 LEU 49 - H GLN 101 far 0 93 0 - 7.3-9.7 QD2 LEU 119 - H GLN 101 far 0 87 0 - 8.2-11.6 QD1 LEU 53 - H GLN 101 far 0 97 0 - 9.3-14.0 Violated in 11 structures by 0.14 A. Peak 11410 from nnoeabs.peaks (1.80, 7.85, 118.36 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.89: HB3 LEU 103 + H GLU 102 OK 80 100 80 100 4.1-6.4 7474/3.0=78...(24) HB2 LEU 100 + H GLU 102 OK 44 68 65 100 4.8-6.1 3.0/7445=64, ~7412=45...(22) HB3 LEU 98 - H GLU 102 far 5 97 5 - 4.9-6.9 HG LEU 100 - H GLU 102 far 0 85 0 - 5.8-7.4 HB3 LEU 122 - H GLU 102 far 0 100 0 - 5.9-10.1 Violated in 11 structures by 0.14 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 2.9-4.6 10279=98, 10265/3396=75...(20) QG2 VAL 105 + H LEU 103 OK 99 99 100 100 3.4-4.2 10086/3.6=80...(14) 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 = 0.71: QD2 LEU 100 + H LEU 103 OK 71 76 100 94 3.4-5.1 4.1/3228=62...(11) QD2 LEU 62 - H LEU 103 far 0 68 0 - 7.3-10.0 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 5 assignments used, quality = 1.00: QG2 VAL 63 + H GLN 104 OK 100 100 100 100 2.3-3.8 11523/7496=92...(21) QG1 VAL 118 + H GLN 104 OK 96 97 100 99 4.0-5.5 11836/3.6=65...(9) QD1 LEU 62 - H GLN 104 far 5 100 5 - 6.1-8.3 QD1 LEU 49 - H GLN 104 far 0 100 0 - 8.6-11.9 QG2 VAL 112 - H GLN 104 far 0 95 0 - 9.6-12.4 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 LEU 103 + H SER 106 OK 97 98 100 99 4.3-5.0 7519/7535=60...(16) H ALA 108 + H SER 106 OK 92 97 95 100 3.7-5.8 7554/7543=79...(13) H ALA 109 - H SER 106 far 5 99 5 - 5.1-8.6 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 = 0.96: QD1 LEU 103 + H SER 106 OK 96 100 100 96 4.9-6.2 10096/4.0=39...(15) QG1 VAL 63 - H SER 106 poor 14 100 20 71 5.8-7.6 9400/3441=25...(7) QD2 LEU 119 - H SER 106 far 0 87 0 - 7.1-11.6 QD2 LEU 122 - H SER 106 far 0 100 0 - 7.5-11.2 QD1 LEU 122 - H SER 106 far 0 73 0 - 7.7-11.0 Violated in 11 structures by 0.19 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 3.0-5.3 3.6/7554=96...(13) HA VAL 112 - H ALA 108 far 0 97 0 - 7.8-11.6 HA PRO 58 - H ALA 108 far 0 78 0 - 7.9-12.0 Violated in 0 structures by 0.00 A. Peak 11476 from nnoeabs.peaks (0.98, 8.23, 117.55 ppm; 4.97 A): 2 out of 5 assignments used, quality = 0.95: QG2 VAL 105 + H SER 107 OK 87 87 100 100 3.8-4.3 11533/7546=79...(9) QG1 VAL 105 + H SER 107 OK 66 68 100 97 5.0-5.7 4.4/7543=70, 11448=46...(8) QG2 VAL 118 - H SER 107 far 11 73 15 - 4.3-7.6 QD2 LEU 53 - H SER 107 far 0 85 0 - 8.6-16.6 QG1 VAL 112 - H SER 107 far 0 87 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 11477 from nnoeabs.peaks (3.92, 8.30, 123.19 ppm; 4.76 A): 2 out of 6 assignments used, quality = 0.98: HA2 GLY 111 + H ALA 110 OK 95 97 100 98 4.5-5.6 10661/11478=41...(21) HA3 GLY 111 + H ALA 110 OK 61 71 90 96 4.9-5.9 4.8/7573=38, ~7577=32...(19) HB2 SER 107 - H ALA 110 poor 6 100 30 22 4.9-8.8 3508/4.7=14, 10109/3.7=7 HB2 SER 60 - H ALA 110 far 0 96 0 - 6.2-13.9 HB3 SER 60 - H ALA 110 far 0 96 0 - 6.4-12.8 HD3 PRO 113 - H ALA 110 far 0 89 0 - 6.5-9.7 Violated in 4 structures by 0.02 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 3.0-4.7 11771/3.6=97...(10) QG2 VAL 63 - H ALA 110 far 5 90 5 - 6.6-10.6 QD1 LEU 62 - H ALA 110 far 0 95 0 - 7.0-11.3 QG1 VAL 118 - H ALA 110 far 0 65 0 - 7.3-12.5 QD1 LEU 119 - H ALA 110 far 0 92 0 - 7.4-10.4 QG1 VAL 57 - H ALA 110 far 0 78 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 11482 from nnoeabs.peaks (6.59, 8.08, 124.88 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.52: HD21 ASN 59 + H ALA 108 OK 52 100 55 95 3.2-7.3 11786/3.6=60...(10) Violated in 14 structures by 0.78 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 15 100 15 - 5.7-10.2 HB3 LEU 62 - H ALA 108 far 0 99 0 - 9.2-12.6 Violated in 20 structures by 1.95 A. Peak 11484 from nnoeabs.peaks (0.92, 8.08, 124.88 ppm; 5.25 A): 1 out of 5 assignments used, quality = 0.38: QG2 VAL 63 + H ALA 108 OK 38 99 45 85 5.0-7.9 11853/4.7=62...(7) QG2 VAL 112 - H ALA 108 far 5 100 5 - 6.0-7.5 QG1 VAL 118 - H ALA 108 far 4 85 5 - 5.1-9.3 QD1 LEU 119 - H ALA 108 far 0 76 0 - 7.1-10.4 QD1 LEU 62 - H ALA 108 far 0 100 0 - 7.2-10.5 Violated in 19 structures by 1.21 A. Peak 11485 from nnoeabs.peaks (0.97, 8.08, 124.88 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.53: QG2 VAL 105 + H ALA 108 OK 53 63 85 100 4.4-6.6 10113/7555=74...(12) QG1 VAL 105 - H ALA 108 poor 18 90 20 - 5.0-8.2 QG1 VAL 112 - H ALA 108 far 0 99 0 - 8.1-9.7 QD2 LEU 53 - H ALA 108 far 0 98 0 - 10.0-16.3 Violated in 16 structures by 0.34 A. Peak 11486 from nnoeabs.peaks (0.79, 8.08, 124.88 ppm; 4.76 A): 1 out of 5 assignments used, quality = 0.29: QD1 LEU 103 + H ALA 108 OK 29 99 35 84 4.3-8.2 11424/11482=49...(12) QD2 LEU 119 - H ALA 108 far 0 95 0 - 6.1-11.2 QG1 VAL 63 - H ALA 108 far 0 100 0 - 6.8-9.2 QD2 LEU 122 - H ALA 108 far 0 100 0 - 7.5-13.8 QD1 LEU 122 - H ALA 108 far 0 85 0 - 9.3-12.4 Violated in 19 structures by 1.41 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 3.4-5.0 11553/3556=96...(10) HB3 LEU 62 - H VAL 112 far 0 97 0 - 8.0-11.9 Violated in 0 structures by 0.00 A. Peak 11513 from nnoeabs.peaks (8.45, 8.57, 108.97 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.49: H ASN 116 + H GLY 114 OK 49 100 50 97 3.4-6.2 7608/7602=74, 11514=60...(6) Violated in 17 structures by 1.06 A. Peak 11514 from nnoeabs.peaks (8.56, 8.45, 123.09 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.65: H GLY 114 + H ASN 116 OK 65 99 65 100 3.4-6.2 11513=99, 7600/7608=89...(6) Violated in 13 structures by 0.51 A. Peak 11518 from nnoeabs.peaks (0.98, 8.57, 108.97 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.46: QG1 VAL 112 + H GLY 114 OK 46 93 50 98 4.4-6.2 11507/7591=56, 11492=52...(10) QD2 LEU 53 - H GLY 114 far 5 92 5 - 4.5-10.7 QG2 VAL 118 - H GLY 114 far 0 63 0 - 8.3-11.1 Violated in 20 structures by 1.13 A. Peak 11524 from nnoeabs.peaks (1.87, 8.45, 123.09 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 119 + H ASN 116 OK 100 100 100 100 4.5-7.0 3.0/11559=88...(11) Violated in 3 structures by 0.11 A. Peak 11562 from nnoeabs.peaks (4.36, 8.08, 117.66 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.98: HA PRO 117 + H ASN 120 OK 98 100 100 98 3.4-3.9 11968/3.8=50...(10) HA PRO 113 - H ASN 120 far 0 98 0 - 6.8-11.6 HA ASN 59 - H ASN 120 far 0 60 0 - 8.9-10.0 HA SER 107 - H ASN 120 far 0 71 0 - 9.1-15.2 Violated in 0 structures by 0.00 A. Peak 11570 from nnoeabs.peaks (1.56, 8.26, 119.72 ppm; 4.50 A): 1 out of 9 assignments used, quality = 1.00: HG LEU 123 + H LEU 123 OK 100 100 100 100 4.0-4.6 4.6=93, 2.1/3952=85...(16) HB2 LEU 119 - H LEU 123 far 0 85 0 - 5.5-6.2 HG LEU 49 - H LEU 123 far 0 99 0 - 5.8-9.4 HG2 ARG 23 - H GLU 30 far 0 96 0 - 6.7-18.2 HB2 LEU 22 - H GLU 30 far 0 82 0 - 6.8-18.3 HB2 LEU 103 - H LEU 123 far 0 95 0 - 7.2-9.8 HG LEU 103 - H LEU 123 far 0 99 0 - 7.4-11.4 HB3 LEU 42 - H ASP 131 far 0 66 0 - 9.5-10.8 HG LEU 49 - H ASP 131 far 0 84 0 - 9.6-13.1 Reference assignment not found: HB3 LEU 123 - H LEU 123 Violated in 10 structures by 0.04 A. Peak 11585 from nnoeabs.peaks (0.80, 7.95, 113.43 ppm; 4.47 A): 3 out of 8 assignments used, quality = 0.94: QD1 LEU 53 + H SER 124 OK 85 100 90 94 4.2-6.1 11422/7766=55...(14) QD1 LEU 122 + H SER 124 OK 51 98 55 95 4.3-7.1 3899/7761=56...(16) QD2 LEU 122 + H SER 124 OK 21 97 25 85 4.6-6.8 10366/3.4=32...(9) QD2 LEU 49 - H SER 124 far 0 100 0 - 5.8-8.7 QD1 LEU 96 - H SER 124 far 0 68 0 - 5.9-7.4 QD2 LEU 119 - H SER 124 far 0 100 0 - 6.5-8.9 QD1 LEU 103 - H SER 124 far 0 90 0 - 7.7-11.2 QG2 ILE 129 - H SER 124 far 0 73 0 - 9.8-10.4 Violated in 5 structures by 0.06 A. Peak 11647 from nnoeabs.peaks (7.08, 8.47, 118.09 ppm; 5.43 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 89 + H VAL 132 OK 98 98 100 100 4.1-5.2 11943/7917=81...(11) HE ARG 135 - H VAL 132 far 11 76 15 - 4.5-8.3 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 2.0-3.5 9445=61, 10991/6598=49...(24) QG2 THR 54 - H LEU 49 far 0 99 0 - 7.2-8.4 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 6 assignments used, quality = 1.00: QG1 VAL 118 + H LEU 103 OK 100 100 100 100 1.9-4.0 2.1/10279=63...(19) QG2 VAL 63 + H LEU 103 OK 39 97 50 80 4.3-5.5 11811/7485=33...(12) QD1 LEU 62 - H LEU 103 far 0 93 0 - 5.8-8.8 QD2 LEU 98 - H LEU 103 far 0 76 0 - 7.8-9.2 QD1 LEU 49 - H LEU 103 far 0 95 0 - 8.8-11.4 QG2 VAL 112 - H LEU 103 far 0 73 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 11726 from nnoeabs.peaks (0.92, 7.71, 113.84 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.72: QD1 LEU 62 + H LEU 53 OK 64 99 65 99 4.3-6.6 2.1/9251=61...(10) QD1 LEU 123 + H LEU 53 OK 22 99 30 73 4.8-6.2 11772/6657=39...(9) QD1 LEU 49 - H LEU 53 poor 19 99 30 64 3.6-7.5 4.1/6656=22, 3.2/6666=21...(11) QD1 LEU 119 - H LEU 53 far 4 78 5 - 5.0-8.1 QD2 LEU 48 - H LEU 53 far 0 97 0 - 5.2-6.0 QD1 LEU 48 - H LEU 53 far 0 100 0 - 5.4-8.2 QG1 VAL 57 - H LEU 53 far 0 60 0 - 5.6-6.6 QG1 VAL 118 - H LEU 53 far 0 83 0 - 7.6-10.4 QG2 VAL 63 - H LEU 53 far 0 98 0 - 8.9-11.5 Violated in 18 structures by 0.41 A. Peak 11732 from nnoeabs.peaks (7.78, 7.92, 113.21 ppm; 5.45 A): 2 out of 4 assignments used, quality = 0.89: H VAL 118 + HD22 ASN 116 OK 80 81 100 100 1.9-5.3 4.0/10278=53...(13) HD22 ASN 59 + HD22 ASN 116 OK 46 85 90 61 2.0-8.3 11733/1.7=20...(8) HD22 ASN 121 - HD22 ASN 116 far 10 100 10 - 6.1-9.5 H GLU 55 - HD22 ASN 116 far 0 73 0 - 9.8-15.4 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 4 assignments used, quality = 0.97: H VAL 118 + HD21 ASN 116 OK 96 96 100 100 2.8-5.8 7642/11532=65...(11) HD22 ASN 59 + HD21 ASN 116 OK 38 63 90 68 1.9-7.2 11427/11425=40...(6) HD22 ASN 121 - HD21 ASN 116 far 14 95 15 - 5.9-9.8 H GLU 55 - HD21 ASN 116 far 0 92 0 - 9.1-13.8 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 10 100 10 - 2.3-6.3 HA PRO 113 - HD21 ASN 120 far 0 100 0 - 6.4-13.7 HA CYS 125 - HD21 ASN 120 far 0 95 0 - 8.5-13.1 Violated in 19 structures by 1.64 A. Peak 11735 from nnoeabs.peaks (4.37, 6.77, 111.74 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.97: HA PRO 117 + HD22 ASN 120 OK 97 99 100 97 3.1-4.7 11968/3.5=59...(11) HA THR 115 - HD22 ASN 120 far 3 63 5 - 4.9-10.5 HA PRO 113 - HD22 ASN 120 far 0 100 0 - 5.8-13.1 Violated in 14 structures by 0.07 A. Peak 11737 from nnoeabs.peaks (6.81, 7.76, 112.26 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.69: QE TYR 72 + HE22 GLN 68 OK 69 100 70 99 3.9-6.4 11830/3.5=61...(11) Violated in 18 structures by 0.75 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 99 100 100 100 2.7-3.8 11602/7724=55...(20) QD1 LEU 62 - H LEU 122 poor 17 87 20 - 5.4-7.4 QD2 LEU 123 - H LEU 122 far 0 97 0 - 5.6-6.4 QD1 LEU 49 - H LEU 122 far 0 89 0 - 6.1-9.2 QD2 LEU 98 - H LEU 122 far 0 85 0 - 7.0-9.2 QD2 LEU 69 - H LEU 122 far 0 68 0 - 7.4-9.8 QG2 VAL 63 - H LEU 122 far 0 92 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 11749 from nnoeabs.peaks (0.96, 8.18, 122.62 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 126 + H LEU 122 OK 79 100 80 99 5.0-6.3 10397/2.9=81, ~11604=45...(15) QD2 LEU 53 + H LEU 122 OK 73 100 75 98 3.5-8.7 11818/3.3=57...(31) QD1 LEU 119 - H LEU 122 far 0 76 0 - 6.0-7.3 QG1 VAL 126 - H LEU 122 far 0 99 0 - 7.2-8.1 Violated in 6 structures by 0.18 A. Peak 11751 from nnoeabs.peaks (4.37, 7.54, 116.56 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 78 + H VAL 77 OK 97 97 100 99 5.4-5.4 11189/7043=83...(9) HA CYS 73 + H VAL 77 OK 95 97 100 98 2.4-3.9 11789/3.1=66...(13) Violated in 0 structures by 0.00 A. Peak 11757 from nnoeabs.peaks (3.80, 8.41, 122.27 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.59: HB3 SER 9 + H MET 11 OK 46 99 65 71 3.0-7.3 4.5/6060=59, 11756/3.6=27 HB2 SER 9 + H MET 11 OK 25 100 35 71 4.4-6.9 4.5/6060=59, 11756/3.6=27 Violated in 15 structures by 0.34 A. Peak 11760 from nnoeabs.peaks (4.29, 8.37, 109.62 ppm; 4.78 A): 1 out of 6 assignments used, quality = 0.97: HA ALA 15 + H GLY 14 OK 97 100 100 98 4.2-5.4 3.0/6113=77...(9) HA ALA 12 - H GLY 14 poor 20 100 25 79 4.2-6.8 6084/4.7=71...(3) HA THR 18 - H GLY 14 far 5 100 5 - 5.1-14.3 HA ALA 16 - H GLY 14 far 5 95 5 - 5.5-8.5 HA2 GLY 75 - H GLY 14 far 0 60 0 - 9.7-41.6 HA LYS 19 - H GLY 14 far 0 78 0 - 9.8-17.1 Violated in 10 structures by 0.10 A. Peak 11761 from nnoeabs.peaks (4.86, 8.37, 109.62 ppm; 4.75 A): 0 out of 0 assignments used, quality = 0.00: Peak 11781 from nnoeabs.peaks (4.06, 7.90, 116.86 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.94: HA GLU 102 + H SER 106 OK 91 97 100 94 2.1-4.5 10086/7539=57...(11) HA GLN 104 + H SER 106 OK 37 65 75 76 4.3-5.6 3.6/7535=62, 3412=18...(6) Violated in 1 structures by 0.00 A. Peak 11783 from nnoeabs.peaks (4.00, 8.24, 121.99 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.90: HA VAL 20 + H ARG 23 OK 90 98 95 97 2.6-6.6 10724/4.6=52...(10) Violated in 5 structures by 0.13 A. Peak 11784 from nnoeabs.peaks (0.86, 8.38, 118.14 ppm; 5.37 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 32 + H ASP 35 OK 96 97 100 99 2.0-5.7 10892/6387=73...(11) QD2 LEU 69 + H THR 65 OK 65 97 70 95 5.4-7.8 11055/6842=70...(9) QD2 LEU 22 - H ASP 35 far 0 82 0 - 6.6-25.5 QD2 LEU 70 - H THR 65 far 0 100 0 - 7.0-8.8 QG2 VAL 57 - H THR 65 far 0 100 0 - 7.0-8.0 QD2 LEU 123 - H THR 65 far 0 71 0 - 8.0-11.8 QG2 ILE 32 - H THR 65 far 0 100 0 - 9.8-19.2 Violated in 2 structures by 0.01 A. Peak 11785 from nnoeabs.peaks (0.96, 8.66, 113.28 ppm; 3.89 A): 1 out of 10 assignments used, quality = 0.88: QG1 VAL 126 + H SER 50 OK 88 100 90 98 3.8-4.9 11601=85, ~11668=30...(11) QD2 LEU 53 - H SER 50 far 5 99 5 - 4.3-7.4 QG2 VAL 126 - H SER 50 far 0 100 0 - 5.2-6.8 QD1 LEU 119 - H SER 60 far 0 79 0 - 6.6-9.0 QG1 VAL 57 - H SER 60 far 0 89 0 - 6.6-7.2 QD2 LEU 53 - H SER 60 far 0 91 0 - 8.0-13.6 QG1 VAL 112 - H SER 60 far 0 90 0 - 8.0-11.5 QG1 VAL 57 - H SER 50 far 0 97 0 - 8.6-9.5 QD1 LEU 119 - H SER 50 far 0 89 0 - 9.2-11.4 QG1 VAL 105 - H SER 60 far 0 94 0 - 9.5-11.4 Violated in 16 structures by 0.37 A. Peak 11786 from nnoeabs.peaks (4.37, 6.60, 111.09 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.76: HA SER 107 + HD21 ASN 59 OK 76 87 90 98 2.3-6.7 11475=68, 11787/1.7=61...(9) HA PRO 113 - HD21 ASN 59 far 0 100 0 - 6.4-11.6 HA PRO 117 - HD21 ASN 59 far 0 100 0 - 8.7-14.7 Violated in 7 structures by 0.25 A. Peak 11787 from nnoeabs.peaks (4.36, 7.79, 111.09 ppm; 5.66 A): 1 out of 3 assignments used, quality = 0.70: HA SER 107 + HD22 ASN 59 OK 70 76 95 97 2.7-7.3 11786/1.7=95, ~9335=34...(6) HA PRO 113 - HD22 ASN 59 far 5 99 5 - 5.3-10.8 HA PRO 117 - HD22 ASN 59 far 0 100 0 - 7.9-13.0 Violated in 4 structures by 0.17 A. Peak 11789 from nnoeabs.peaks (4.38, 8.04, 121.95 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: HA CYS 73 + H TYR 76 OK 100 100 100 100 2.8-3.6 9570/9609=55...(15) HA ASP 78 - H TYR 76 far 0 100 0 - 6.7-7.3 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 8 assignments used, quality = 0.96: HG CYS 73 + H TYR 72 OK 96 99 100 97 3.8-4.8 9555/3.5=76...(10) HE2 LYS 36 - H TYR 72 far 5 93 5 - 5.4-9.6 HB2 CYS 45 - H TYR 72 far 0 100 0 - 5.7-7.3 HE2 LYS 19 - H TYR 72 far 0 92 0 - 6.8-29.0 HE3 LYS 19 - H TYR 72 far 0 81 0 - 6.9-29.7 HE3 LYS 36 - H TYR 72 far 0 87 0 - 7.0-10.1 HE3 LYS 26 - H TYR 72 far 0 73 0 - 8.8-29.8 HE2 LYS 26 - H TYR 72 far 0 73 0 - 9.9-30.0 Violated in 2 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 4 assignments used, quality = 0.93: HA PHE 87 + HE ARG 90 OK 83 98 85 100 2.8-8.0 2723/11839=84...(12) HA SER 74 + HE ARG 90 OK 61 89 75 91 3.2-8.7 9592/11842=77...(6) HA ARG 84 - HE ARG 90 far 0 68 0 - 7.7-13.3 HA ALA 16 - HE ARG 90 far 0 100 0 - 8.9-45.6 Violated in 0 structures by 0.00 A. Peak 11836 from nnoeabs.peaks (3.17, 7.35, 84.71 ppm; 2.94 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + HE ARG 90 OK 100 100 100 100 2.7-2.9 2.9=100 HD3 ARG 90 + HE ARG 90 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 ARG 84 - HE ARG 90 far 0 76 0 - 9.0-17.0 HD3 ARG 84 - HE ARG 90 far 0 76 0 - 9.6-16.9 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 4 assignments used, quality = 0.99: HG2 ARG 90 + HE ARG 90 OK 99 99 100 100 2.1-3.9 4.0=82, 1.8/11840=78...(13) HB2 GLU 91 - HE ARG 90 far 0 83 0 - 6.0-8.6 HB3 GLU 91 - HE ARG 90 far 0 87 0 - 7.5-9.6 HB ILE 129 - HE ARG 90 far 0 96 0 - 8.7-13.6 Violated in 1 structures by 0.01 A. Peak 11838 from nnoeabs.peaks (1.95, 7.35, 84.71 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: HB3 ARG 90 + HE ARG 90 OK 100 100 100 100 2.5-4.4 1.8/11839=79...(19) HB3 LYS 86 + HE ARG 90 OK 21 99 30 69 3.7-9.4 9823/11841=50...(8) HB2 LYS 95 - HE ARG 90 far 0 96 0 - 8.5-13.2 Violated in 0 structures by 0.00 A. Peak 11839 from nnoeabs.peaks (1.90, 7.35, 84.71 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.98: HB2 ARG 90 + HE ARG 90 OK 98 98 100 100 2.4-4.1 2.9/11840=70...(18) HB3 ARG 84 - HE ARG 90 far 0 100 0 - 9.9-15.1 Violated in 4 structures by 0.00 A. Peak 11840 from nnoeabs.peaks (1.73, 7.35, 84.71 ppm; 3.57 A): 1 out of 6 assignments used, quality = 0.99: HG3 ARG 90 + HE ARG 90 OK 99 99 100 99 2.1-3.6 4.0=71, 1.8/11837=68...(13) HB3 LEU 70 - HE ARG 90 far 0 97 0 - 5.6-15.3 HG13 ILE 129 - HE ARG 90 far 0 85 0 - 6.0-12.7 HB2 LEU 70 - HE ARG 90 far 0 93 0 - 6.1-15.0 HB ILE 80 - HE ARG 90 far 0 96 0 - 6.2-9.4 HG LEU 98 - HE ARG 90 far 0 90 0 - 9.6-14.8 Violated in 3 structures by 0.00 A. Peak 11841 from nnoeabs.peaks (1.19, 7.35, 84.71 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.94: QG2 VAL 77 + HE ARG 90 OK 94 99 95 100 2.0-4.7 9676=96, 2.1/11842=65...(18) HG12 ILE 80 - HE ARG 90 far 0 76 0 - 8.1-11.0 Violated in 3 structures by 0.05 A. Peak 11842 from nnoeabs.peaks (1.06, 7.35, 84.71 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HE ARG 90 OK 100 100 100 100 2.4-4.4 2.1/11841=75, 11173=59...(16) QG2 VAL 133 - HE ARG 90 far 0 78 0 - 8.6-12.4 Violated in 1 structures by 0.02 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 - 6.6-11.8 QD2 LEU 98 - HE ARG 90 far 0 100 0 - 8.4-13.1 QD1 LEU 98 - HE ARG 90 far 0 98 0 - 9.1-14.0 QD2 LEU 69 - HE ARG 90 far 0 100 0 - 9.8-14.6 Violated in 20 structures by 3.47 A. Peak 11847 from nnoeabs.peaks (3.81, 7.35, 84.71 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.95: HA ARG 90 + HE ARG 90 OK 95 95 100 100 2.5-5.6 5.6=93, 3.0/11839=90...(20) Violated in 1 structures by 0.01 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 2.8-5.6 3.8/11839=97...(18) Violated in 0 structures by 0.00 A. Peak 11855 from nnoeabs.peaks (3.20, 7.25, 84.49 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: 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 HD3 ARG 90 - HE ARG 84 far 0 63 0 - 9.7-17.2 HD2 ARG 90 - HE ARG 84 far 0 68 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 11856 from nnoeabs.peaks (1.64, 7.25, 84.49 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.1-3.8 3.6=100 HG3 ARG 84 + HE ARG 84 OK 100 100 100 100 2.1-4.0 3.6=100 QB ALA 88 - HE ARG 84 far 11 73 15 - 3.2-8.9 HD3 LYS 86 - HE ARG 84 far 0 78 0 - 9.4-13.0 HD2 LYS 86 - HE ARG 84 far 0 78 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 11857 from nnoeabs.peaks (1.81, 7.25, 84.49 ppm; 5.40 A): 1 out of 3 assignments used, quality = 1.00: HB2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.0-5.2 5.1=100 HB3 ARG 135 - HE ARG 84 far 10 96 10 - 5.2-11.7 HB2 LYS 86 - HE ARG 84 far 0 96 0 - 8.3-11.1 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 2.5-4.6 5.1=100 HB2 ARG 135 - HE ARG 84 lone 1 96 25 2 5.6-11.9 HB2 ARG 90 - HE ARG 84 far 0 100 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 11859 from nnoeabs.peaks (4.26, 7.25, 84.49 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.97: HA ARG 84 + HE ARG 84 OK 97 97 100 100 3.7-5.1 5.5=74, 2570/2.9=42...(24) HA PHE 87 - HE ARG 84 far 0 99 0 - 6.4-11.0 Violated in 4 structures by 0.01 A. Peak 11860 from nnoeabs.peaks (7.26, 7.25, 84.49 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HE ARG 84 + HE ARG 84 OK 99 99 - 100 Peak 11864 from nnoeabs.peaks (7.05, 7.05, 84.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 135 + HE ARG 135 OK 100 100 - 100 Peak 11865 from nnoeabs.peaks (7.31, 7.05, 84.98 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: H ARG 135 + HE ARG 135 OK 100 100 100 100 2.8-4.6 10612=80, 7983/11874=77...(15) QD PHE 87 - HE ARG 135 far 0 97 0 - 9.4-13.3 Violated in 2 structures by 0.00 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 1.9-4.5 4308/11874=84...(12) HD3 PRO 81 - HE ARG 135 far 0 93 0 - 8.4-12.6 Violated in 0 structures by 0.00 A. Peak 11868 from nnoeabs.peaks (3.52, 7.05, 84.98 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.40: HA VAL 132 + HE ARG 135 OK 40 100 40 100 3.5-6.1 10529/2.9=52...(14) Violated in 19 structures by 0.99 A. Peak 11869 from nnoeabs.peaks (3.24, 7.05, 84.98 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: HD3 ARG 135 + HE ARG 135 OK 100 100 100 100 2.6-2.9 2.9=100 HB2 PHE 87 - HE ARG 135 far 0 99 0 - 8.2-12.7 HB3 PHE 87 - HE ARG 135 far 0 100 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 11870 from nnoeabs.peaks (2.94, 7.05, 84.98 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: HD2 ARG 135 + HE ARG 135 OK 100 100 100 100 2.5-2.9 2.9=100 HE2 LYS 39 - HE ARG 135 far 0 99 0 - 7.3-13.6 HE3 LYS 39 - HE ARG 135 far 0 97 0 - 8.3-14.8 Violated in 0 structures by 0.00 A. Peak 11871 from nnoeabs.peaks (2.04, 7.05, 84.98 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.98: HG3 ARG 135 + HE ARG 135 OK 98 99 100 98 2.3-3.6 1.8/11874=70, 4.0=56...(7) HB2 GLN 134 - HE ARG 135 far 0 87 0 - 4.3-8.7 HG3 PRO 81 - HE ARG 135 far 0 94 0 - 6.3-11.2 Violated in 14 structures by 0.17 A. Peak 11872 from nnoeabs.peaks (1.90, 7.05, 84.98 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: HB2 ARG 135 + HE ARG 135 OK 100 100 100 100 2.4-4.1 1.8/11873=73...(13) HB3 ARG 84 - HE ARG 135 far 0 100 0 - 6.8-11.7 Violated in 8 structures by 0.03 A. Peak 11873 from nnoeabs.peaks (1.81, 7.05, 84.98 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: HB3 ARG 135 + HE ARG 135 OK 100 100 100 100 1.8-4.2 1.8/11872=78...(13) HB2 ARG 84 - HE ARG 135 far 0 99 0 - 5.3-12.0 Violated in 2 structures by 0.01 A. Peak 11874 from nnoeabs.peaks (1.72, 7.05, 84.98 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.98: HG2 ARG 135 + HE ARG 135 OK 98 99 100 98 2.1-3.6 1.8/11871=71, 10615=57...(7) HD3 LYS 39 - HE ARG 135 far 0 100 0 - 9.3-12.8 Violated in 7 structures by 0.08 A. Peak 11875 from nnoeabs.peaks (1.14, 7.05, 84.98 ppm; 3.71 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 132 - HE ARG 135 far 5 100 5 - 4.1-6.2 QG2 VAL 132 - HE ARG 135 far 0 100 0 - 4.9-7.6 HG2 LYS 39 - HE ARG 135 far 0 100 0 - 9.0-13.1 HG3 LYS 39 - HE ARG 135 far 0 80 0 - 9.8-12.8 Violated in 20 structures by 1.37 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 12 assignments used, quality = 1.00: HA ARG 23 + HE ARG 23 OK 100 100 100 100 4.0-6.5 6.4=100 HA LEU 22 + HE ARG 23 OK 44 89 60 83 3.5-9.1 375/7.1=61, 444/3.6=29...(6) HA LYS 26 - HE ARG 23 poor 18 90 20 - 4.9-12.6 HA THR 18 - HE ARG 23 far 10 99 10 - 3.0-13.7 HA ALA 15 - HE ARG 23 far 5 100 5 - 6.1-19.7 HA LYS 31 - HE ARG 23 far 5 99 5 - 5.7-23.6 HA ALA 21 - HE ARG 23 lone 4 100 55 8 3.9-10.7 453/3.6=4, 471/2.9=2 HA LYS 19 - HE ARG 23 far 4 87 5 - 6.0-13.8 HA THR 25 - HE ARG 23 lone 1 99 25 3 6.4-11.1 HA ALA 16 - HE ARG 23 far 0 98 0 - 7.9-17.0 HA LYS 36 - HE ARG 23 far 0 97 0 - 8.6-26.3 HA SER 74 - HE ARG 23 far 0 99 0 - 9.2-37.3 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 2 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 Violated in 0 structures by 0.00 A. Peak 11881 from nnoeabs.peaks (1.82, 7.19, 84.58 ppm; 4.73 A): 1 out of 7 assignments used, quality = 1.00: HB3 ARG 23 + HE ARG 23 OK 100 100 100 100 2.3-4.8 4.8=96, 464/2.9=42...(16) HB3 LYS 31 - HE ARG 23 far 5 99 5 - 4.1-21.2 HB3 LYS 19 - HE ARG 23 far 5 99 5 - 4.8-13.5 HB3 LYS 26 - HE ARG 23 far 0 100 0 - 5.8-15.0 HB ILE 32 - HE ARG 23 far 0 100 0 - 5.9-25.5 HB3 LYS 24 - HE ARG 23 far 0 100 0 - 6.4-10.5 HB2 LYS 36 - HE ARG 23 far 0 100 0 - 8.9-25.8 Violated in 2 structures by 0.00 A. Peak 11882 from nnoeabs.peaks (1.75, 7.19, 84.58 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: HB2 ARG 23 + HE ARG 23 OK 100 100 100 100 2.7-4.9 4.8=100 HB2 LYS 26 - HE ARG 23 far 5 100 5 - 4.6-14.4 HB2 LYS 31 - HE ARG 23 far 5 98 5 - 3.1-20.8 HB2 LYS 19 - HE ARG 23 far 0 100 0 - 6.3-14.8 HB2 LYS 24 - HE ARG 23 far 0 100 0 - 7.1-10.1 Violated in 0 structures by 0.00 A. Peak 11883 from nnoeabs.peaks (1.62, 7.19, 84.58 ppm; 4.74 A): 1 out of 5 assignments used, quality = 1.00: HG3 ARG 23 + HE ARG 23 OK 100 100 100 100 2.2-3.6 3.6=100 HB3 LEU 22 - HE ARG 23 far 0 99 0 - 5.9-10.9 HG LEU 22 - HE ARG 23 far 0 99 0 - 6.4-11.9 HD2 LYS 19 - HE ARG 23 far 0 73 0 - 7.2-15.1 HD3 LYS 19 - HE ARG 23 far 0 73 0 - 7.2-14.8 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 1 assignment used, quality = 0.99: HG2 ARG 23 + HE ARG 23 OK 99 99 100 100 2.2-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 11886 from nnoeabs.peaks (2.00, 7.56, 115.93 ppm; 5.09 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 81 + H GLN 82 OK 100 100 100 100 1.8-3.7 11914=95, 2.3/11189=61...(10) HB2 GLN 134 - H GLN 82 far 0 78 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 11917 from nnoeabs.peaks (0.94, 7.99, 115.96 ppm; 4.22 A): 0 out of 11 assignments used, quality = 0.00: QD1 LEU 49 - H SER 51 poor 18 52 35 - 4.4-6.3 QD1 LEU 48 - H SER 51 far 12 77 15 - 4.7-6.5 QD1 LEU 123 - H SER 51 far 4 84 5 - 4.7-6.7 QD2 LEU 53 - H SER 51 far 3 62 5 - 4.6-7.4 QG1 VAL 126 - H SER 51 far 0 82 0 - 6.0-7.2 QG2 VAL 126 - H SER 51 far 0 69 0 - 7.2-9.0 QG2 VAL 126 - H SER 94 far 0 78 0 - 7.4-8.2 QG1 VAL 57 - H SER 51 far 0 92 0 - 7.5-8.0 QD1 LEU 62 - H SER 51 far 0 54 0 - 7.5-9.7 QD1 LEU 119 - H SER 51 far 0 94 0 - 8.7-11.5 QG1 VAL 126 - H SER 94 far 0 92 0 - 8.9-9.5 Violated in 12 structures by 0.15 A. Peak 11918 from nnoeabs.peaks (0.85, 7.98, 115.88 ppm; 4.37 A): 0 out of 7 assignments used, quality = 0.00: QD2 LEU 98 - H SER 94 far 0 64 0 - 5.4-6.8 QD2 LEU 70 - H SER 94 far 0 93 0 - 5.4-6.4 QD1 LEU 98 - H SER 94 far 0 89 0 - 5.9-8.5 QG2 VAL 57 - H SER 51 far 0 97 0 - 6.6-7.3 QD2 LEU 69 - H SER 51 far 0 89 0 - 7.2-8.4 QD2 LEU 69 - H SER 94 far 0 79 0 - 8.5-10.5 QG1 VAL 133 - H SER 94 far 0 81 0 - 8.8-12.0 Violated in 20 structures by 0.54 A. Peak 11919 from nnoeabs.peaks (0.69, 7.13, 112.66 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 43 + HE22 GLN 134 OK 76 96 80 100 2.8-6.6 2.1/10630=85...(10) Violated in 13 structures by 0.50 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 - 7.3-8.9 H THR 25 - H LYS 36 far 0 60 0 - 9.9-22.7 Violated in 20 structures by 3.34 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 3.2-7.3 11482=96, 3.6/11786=94...(10) H ALA 109 + HD21 ASN 59 OK 93 96 100 98 3.9-7.3 4.6/11482=84...(6) H LEU 103 + HD21 ASN 59 OK 91 97 95 100 4.9-8.4 3396/11424=91...(7) H ASN 120 - HD21 ASN 59 far 0 99 0 - 7.9-13.7 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 4 assignments used, quality = 1.00: QG2 ILE 32 + H ALA 34 OK 100 100 100 100 1.9-5.2 910/6369=99, 10811=99...(13) QD2 LEU 22 - H ALA 34 far 4 87 5 - 7.1-25.7 QG2 ILE 32 - H ALA 12 far 0 82 0 - 9.2-31.2 QD2 LEU 70 - H ALA 12 far 0 83 0 - 9.9-38.3 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 4 assignments used, quality = 1.00: HB THR 18 + H VAL 20 OK 100 100 100 100 2.9-6.2 6146/6157=99...(8) HA ALA 29 - H VAL 20 far 3 57 5 - 6.4-19.3 HA ALA 34 - H VAL 20 far 0 68 0 - 7.8-26.3 HB THR 25 - H VAL 20 far 0 100 0 - 9.8-15.4 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 - 7.4-12.6 HB3 HIS 6 - HA HIS 3 far 0 97 0 - 8.3-12.2 HB2 HIS 8 - HA HIS 3 far 0 85 0 - 9.5-20.0 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 6 60 10 - 4.3-11.9 Violated in 0 structures by 0.00 A. Peak 19 from cnoeabs.peaks (3.02, 3.02, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 3 + HB2 HIS 3 OK 100 100 - 100 Peak 20 from cnoeabs.peaks (3.15, 3.02, 28.79 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 3 + HB2 HIS 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 6 - HB2 HIS 3 far 0 100 0 - 6.0-13.2 HB3 HIS 6 - HB2 HIS 3 far 0 97 0 - 7.1-13.6 HB3 HIS 7 - HB2 HIS 3 far 0 100 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 21 from cnoeabs.peaks (8.52, 3.02, 28.79 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 4 + HB2 HIS 3 OK 100 100 100 100 2.1-4.5 4.7=100 H HIS 5 - HB2 HIS 3 lone 6 99 95 6 2.7-8.1 26/1.8=4 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 6 - HB3 HIS 3 far 0 60 0 - 5.5-12.7 HA HIS 3 - HB2 HIS 6 far 0 66 0 - 7.4-12.6 HA HIS 3 - HB3 HIS 6 far 0 54 0 - 8.3-12.2 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 - 6.0-13.2 HB2 HIS 3 - HB3 HIS 6 far 0 54 0 - 7.1-13.6 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 2.1-4.6 4.7=100 H HIS 4 - HB2 HIS 6 far 7 66 10 - 5.8-10.1 H HIS 5 - HB3 HIS 3 lone 4 99 60 6 2.5-8.1 21/1.8=3 H HIS 4 - HB3 HIS 6 far 3 54 5 - 6.2-10.8 H HIS 5 - HB2 HIS 6 lone 1 64 70 2 4.2-7.5 H HIS 5 - HB3 HIS 6 lone 0 52 45 2 4.9-7.3 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 - 4.9-8.7 HA HIS 7 - HB2 HIS 4 far 0 99 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. Peak 34 from cnoeabs.peaks (3.11, 3.11, 28.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 4 + HB2 HIS 4 OK 100 100 - 100 Peak 35 from cnoeabs.peaks (3.23, 3.11, 28.89 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 4 + HB2 HIS 4 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 5 - HB2 HIS 4 far 15 100 15 - 3.8-7.1 HB3 HIS 8 - HB2 HIS 4 far 0 78 0 - 7.6-17.0 Violated in 0 structures by 0.00 A. Peak 38 from cnoeabs.peaks (4.64, 3.23, 28.89 ppm; 6.26 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 4 + HB3 HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB3 HIS 4 lone 5 100 65 8 4.1-8.5 11936=4, 11935/1.8=2 HA HIS 7 - HB3 HIS 4 far 5 99 5 - 5.9-12.0 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 - 4.4-13.9 HB2 HIS 8 - HB3 HIS 4 far 0 63 0 - 8.5-16.0 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 3 assignments used, quality = 1.00: * HB2 HIS 5 + HB3 HIS 5 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 8 - HB3 HIS 5 poor 16 78 20 - 3.5-12.6 HB3 HIS 4 - HB3 HIS 5 lone 6 100 100 6 5.0-7.6 ~11936=3 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 16 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 HB3 HIS 6 - HA HIS 7 far 4 89 5 - 3.9-6.4 HB3 HIS 3 - HA HIS 4 far 0 99 0 - 4.0-6.0 HB2 HIS 8 - HA HIS 7 far 0 69 0 - 4.0-6.2 HB2 HIS 6 - HA HIS 7 far 0 93 0 - 4.2-6.0 HB3 HIS 7 - HA HIS 6 far 0 100 0 - 4.2-6.2 HB2 HIS 8 - HA HIS 6 far 0 81 0 - 4.6-9.6 HB2 HIS 6 - HA HIS 4 far 0 100 0 - 5.5-9.6 HB3 HIS 3 - HA HIS 6 far 0 100 0 - 5.5-12.7 HB3 HIS 6 - HA HIS 4 far 0 97 0 - 6.1-9.2 HB2 HIS 10 - HA HIS 7 far 0 76 0 - 7.5-11.5 HB3 HIS 7 - HA HIS 4 far 0 99 0 - 7.7-12.4 HB2 HIS 8 - HA HIS 4 far 0 79 0 - 8.5-16.2 HB3 HIS 3 - HA HIS 7 far 0 92 0 - 9.5-15.9 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 13 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 6 - HA HIS 7 far 0 93 0 - 3.9-6.4 HB3 HIS 3 - HA HIS 4 far 0 95 0 - 4.0-6.0 HB2 HIS 6 - HA HIS 7 far 0 89 0 - 4.2-6.0 HB3 HIS 7 - HA HIS 6 far 0 97 0 - 4.2-6.2 HB2 HIS 6 - HA HIS 4 far 0 97 0 - 5.5-9.6 HB3 HIS 3 - HA HIS 6 far 0 97 0 - 5.5-12.7 HB3 HIS 6 - HA HIS 4 far 0 100 0 - 6.1-9.2 HB2 HIS 10 - HA HIS 7 far 0 89 0 - 7.5-11.5 HB3 HIS 7 - HA HIS 4 far 0 95 0 - 7.7-12.4 HB3 HIS 3 - HA HIS 7 far 0 87 0 - 9.5-15.9 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 4 assignments used, quality = 0.98: H HIS 7 + HA HIS 7 OK 93 93 100 100 2.3-2.9 2.9=100 * H HIS 7 + HA HIS 6 OK 79 100 100 79 2.1-3.6 3.6=70, 4.4/58=16...(6) H HIS 7 - HA HIS 4 far 0 100 0 - 6.7-9.8 H HIS 10 - HA HIS 7 far 0 78 0 - 7.6-10.0 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 7 - HB2 HIS 6 poor 20 99 20 - 4.2-6.0 HA HIS 7 - HB3 HIS 6 poor 19 91 60 35 3.9-6.4 ~6030=12, ~57=12, 68=5...(7) HA HIS 6 - HB3 HIS 7 poor 7 94 25 31 4.2-6.2 57/3.9=24, 11935/1.8=5...(5) HA HIS 4 - HB3 HIS 3 lone 0 66 40 1 4.0-6.0 HA HIS 4 - HB2 HIS 6 far 0 100 0 - 5.5-9.6 HA HIS 6 - HB3 HIS 3 far 0 66 0 - 5.5-12.7 HA HIS 4 - HB3 HIS 6 far 0 94 0 - 6.1-9.2 HA ASN 13 - HB2 HIS 10 far 0 24 0 - 6.5-11.7 HA HIS 3 - HB2 HIS 6 far 0 60 0 - 7.4-12.6 HA HIS 7 - HB2 HIS 10 far 0 31 0 - 7.5-11.5 HA HIS 4 - HB3 HIS 7 far 0 94 0 - 7.7-12.4 HA HIS 3 - HB3 HIS 6 far 0 52 0 - 8.3-12.2 HA HIS 7 - HB3 HIS 3 far 0 63 0 - 9.5-15.9 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 9 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 6 OK 100 100 100 100 1.9-4.5 4.4=100 H HIS 7 + HB3 HIS 7 OK 94 94 100 100 2.7-4.1 3.9=100 H HIS 7 + HB3 HIS 6 OK 94 94 100 100 2.0-4.4 4.4=100 H HIS 10 + HB2 HIS 10 OK 26 26 100 100 3.0-3.5 4.0=100 H HIS 10 - HB3 HIS 7 far 0 80 0 - 7.2-10.6 H HIS 10 - HB3 HIS 6 far 0 79 0 - 8.7-13.2 H HIS 7 - HB3 HIS 3 far 0 66 0 - 8.9-15.1 H HIS 7 - HB2 HIS 10 far 0 33 0 - 9.5-12.5 H HIS 10 - HB2 HIS 6 far 0 89 0 - 9.6-14.4 Violated in 0 structures by 0.00 A. Peak 62 from cnoeabs.peaks (4.64, 3.17, 29.14 ppm; 3.75 A): 5 out of 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 7 + HB3 HIS 6 OK 21 99 60 36 3.9-6.4 ~6030=12, ~57=11, 68=5...(8) HA HIS 7 - HB2 HIS 6 poor 18 91 20 - 4.2-6.0 HA HIS 6 - HB3 HIS 7 poor 6 81 25 31 4.2-6.2 57/3.9=24, 11935/1.8=5...(5) HA HIS 4 - HB3 HIS 3 lone 0 54 40 1 4.0-6.0 HA HIS 4 - HB2 HIS 6 far 0 94 0 - 5.5-9.6 HA HIS 6 - HB3 HIS 3 far 0 54 0 - 5.5-12.7 HA HIS 4 - HB3 HIS 6 far 0 100 0 - 6.1-9.2 HA ASN 13 - HB2 HIS 10 far 0 39 0 - 6.5-11.7 HA HIS 3 - HB2 HIS 6 far 0 52 0 - 7.4-12.6 HA HIS 7 - HB2 HIS 10 far 0 50 0 - 7.5-11.5 HA HIS 4 - HB3 HIS 7 far 0 81 0 - 7.7-12.4 HA HIS 3 - HB3 HIS 6 far 0 60 0 - 8.3-12.2 HA HIS 7 - HB3 HIS 3 far 0 51 0 - 9.5-15.9 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 9 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 6 OK 100 100 100 100 2.0-4.4 4.4=100 H HIS 7 + HB2 HIS 6 OK 94 94 100 100 1.9-4.5 4.4=100 H HIS 7 + HB3 HIS 7 OK 81 81 100 100 2.7-4.1 3.9=100 H HIS 10 + HB2 HIS 10 OK 42 42 100 100 3.0-3.5 4.0=100 H HIS 10 - HB3 HIS 7 far 0 66 0 - 7.2-10.6 H HIS 10 - HB3 HIS 6 far 0 89 0 - 8.7-13.2 H HIS 7 - HB3 HIS 3 far 0 54 0 - 8.9-15.1 H HIS 7 - HB2 HIS 10 far 0 53 0 - 9.5-12.5 H HIS 10 - HB2 HIS 6 far 0 79 0 - 9.6-14.4 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 8 - HA HIS 7 poor 20 78 25 - 4.0-6.2 HB2 HIS 7 - HA HIS 6 poor 19 93 20 - 4.0-5.9 HB2 HIS 8 - HA HIS 6 far 0 67 0 - 4.6-9.6 HB2 HIS 4 - HA HIS 6 far 0 91 0 - 4.9-8.7 HB2 HIS 7 - HA HIS 4 far 0 91 0 - 6.5-12.7 HB2 HIS 4 - HA HIS 7 far 0 99 0 - 7.5-12.5 HB2 HIS 8 - HA HIS 4 far 0 65 0 - 8.5-16.2 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 16 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, ~58=3 HB2 HIS 6 + HA HIS 6 OK 85 92 100 92 2.5-3.0 3.0=90, 4.4/6030=11, ~58=6 HB3 HIS 6 + HA HIS 6 OK 82 87 100 95 2.4-3.0 3.0=90, 1.8/58=35...(4) HB3 HIS 6 - HA HIS 7 far 0 97 0 - 3.9-6.4 HB3 HIS 3 - HA HIS 4 far 0 91 0 - 4.0-6.0 HB2 HIS 8 - HA HIS 7 far 0 85 0 - 4.0-6.2 HB2 HIS 6 - HA HIS 7 far 0 100 0 - 4.2-6.0 HB3 HIS 7 - HA HIS 6 far 0 93 0 - 4.2-6.2 HB2 HIS 8 - HA HIS 6 far 0 74 0 - 4.6-9.6 HB2 HIS 6 - HA HIS 4 far 0 91 0 - 5.5-9.6 HB3 HIS 3 - HA HIS 6 far 0 93 0 - 5.5-12.7 HB3 HIS 6 - HA HIS 4 far 0 84 0 - 6.1-9.2 HB2 HIS 10 - HA HIS 7 far 0 83 0 - 7.5-11.5 HB3 HIS 7 - HA HIS 4 far 0 91 0 - 7.7-12.4 HB2 HIS 8 - HA HIS 4 far 0 72 0 - 8.5-16.2 HB3 HIS 3 - HA HIS 7 far 0 100 0 - 9.5-15.9 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 2 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 7 OK 100 100 100 100 2.2-4.0 3.9=100 H HIS 10 - HB2 HIS 7 far 0 89 0 - 6.8-10.5 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 9 99 35 27 4.0-5.9 6030/3.9=21, 56=4...(4) HA HIS 4 - HB2 HIS 7 far 0 99 0 - 6.5-12.7 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 5 assignments used, quality = 1.00: * HB3 HIS 7 + HB2 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 6 - HB2 HIS 7 far 0 97 0 - 3.6-7.1 HB2 HIS 6 - HB2 HIS 7 far 0 100 0 - 3.7-7.4 HB2 HIS 8 - HB2 HIS 7 far 0 85 0 - 4.4-7.5 HB2 HIS 10 - HB2 HIS 7 far 0 83 0 - 7.8-11.9 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 1 assignment used, quality = 1.00: * H HIS 8 + HB2 HIS 7 OK 100 100 100 100 2.0-4.5 4.6=100 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 8 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.7-4.1 3.9=100 H HIS 7 + HB2 HIS 6 OK 94 94 100 100 1.9-4.5 4.4=100 H HIS 7 + HB3 HIS 6 OK 81 81 100 100 2.0-4.4 4.4=100 H HIS 10 - HB2 HIS 8 poor 18 48 55 67 4.8-7.7 6051/4.6=66 H HIS 7 - HB2 HIS 8 poor 10 61 70 24 3.9-7.7 ~11936=17, 2.9/55=4, 6032=2 H HIS 10 - HB3 HIS 7 far 0 89 0 - 7.2-10.6 H HIS 10 - HB3 HIS 6 far 0 66 0 - 8.7-13.2 H HIS 10 - HB2 HIS 6 far 0 80 0 - 9.6-14.4 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 6 - HB3 HIS 7 far 15 99 15 - 4.2-6.2 HA HIS 7 - HB2 HIS 8 poor 10 61 35 47 4.0-6.2 6036/4.0=40, 11936/1.8=8, 55=4 HA HIS 7 - HB3 HIS 6 poor 7 81 30 28 3.9-6.4 ~6030=9, ~57=9, 68=5...(6) HA HIS 7 - HB2 HIS 6 far 5 94 5 - 4.2-6.0 HA HIS 6 - HB2 HIS 8 far 0 58 0 - 4.6-9.6 HA HIS 4 - HB2 HIS 6 far 0 93 0 - 5.5-9.6 HA HIS 4 - HB3 HIS 6 far 0 79 0 - 6.1-9.2 HA HIS 4 - HB3 HIS 7 far 0 99 0 - 7.7-12.4 HA HIS 4 - HB2 HIS 8 far 0 59 0 - 8.5-16.2 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 6 far 3 56 5 - 3.1-10.1 HB2 HIS 7 - HB3 HIS 6 far 0 81 0 - 3.6-7.1 HB2 HIS 4 - HB2 HIS 6 far 0 93 0 - 3.6-9.8 HB2 HIS 7 - HB2 HIS 6 far 0 94 0 - 3.7-7.4 HB2 HIS 8 - HB3 HIS 7 far 0 78 0 - 4.1-7.3 HB2 HIS 7 - HB2 HIS 8 far 0 61 0 - 4.4-7.5 HB2 HIS 4 - HB3 HIS 6 far 0 79 0 - 4.6-10.3 HB2 HIS 8 - HB2 HIS 6 far 0 69 0 - 4.7-10.2 HB2 HIS 4 - HB3 HIS 7 far 0 99 0 - 7.2-14.4 HB2 HIS 4 - HB2 HIS 8 far 0 59 0 - 9.0-16.7 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 4 assignments used, quality = 1.00: * H HIS 8 + HB3 HIS 7 OK 100 100 100 100 2.1-4.4 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 poor 16 81 80 24 2.6-7.6 6036/72=15, 6038=4...(4) H HIS 8 - HB2 HIS 6 lone 6 94 60 11 4.0-7.7 6038/1.8=4, 2.9/87=3, 6040=2 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 10 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 poor 6 85 25 30 4.1-5.9 ~6036=18, 87=7, ~11936=4...(5) HB2 HIS 7 - HA HIS 8 far 0 78 0 - 4.3-6.1 HB2 HIS 8 - HA HIS 10 far 0 86 0 - 5.4-8.7 HB2 HIS 6 - HA HIS 8 far 0 81 0 - 5.8-8.6 HB3 HIS 7 - HA HIS 10 far 0 67 0 - 7.3-12.1 HB2 HIS 7 - HA HIS 10 far 0 61 0 - 8.9-12.0 HB2 HIS 4 - HA HIS 8 far 0 63 0 - 9.2-15.3 HB3 HIS 3 - HA HIS 8 far 0 85 0 - 9.7-19.8 HB2 HIS 6 - HA HIS 10 far 0 63 0 - 10.0-15.2 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 4 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 - 5.5-8.6 HB2 HIS 5 - HA HIS 8 far 0 78 0 - 6.7-12.4 HB3 HIS 4 - HA HIS 8 far 0 78 0 - 8.9-15.0 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 4 assignments used, quality = 1.00: * H SER 9 + HA HIS 8 OK 100 100 100 100 2.3-2.9 6045=100, 6047/2.9=37...(5) H SER 9 - HA HIS 10 far 0 86 0 - 4.5-5.6 H GLU 97 - HA HIS 8 far 0 96 0 - 9.0-59.3 H LEU 100 - HA HIS 8 far 0 100 0 - 9.4-59.7 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 2 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 2.1-4.4 4.6=100 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 18 61 65 45 4.1-5.9 ~6036=34, ~11936=7, 83=6...(5) HA HIS 10 - HB2 HIS 8 far 0 99 0 - 5.4-8.7 HA HIS 10 - HB3 HIS 7 far 0 58 0 - 7.3-12.1 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 6 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 8 - HB3 HIS 7 far 0 61 0 - 5.2-7.1 HB3 HIS 4 - HB3 HIS 7 far 0 41 0 - 5.8-13.3 HB2 HIS 5 - HB3 HIS 7 far 0 41 0 - 6.1-10.3 HB2 HIS 5 - HB2 HIS 8 far 0 78 0 - 6.3-13.2 HB3 HIS 4 - HB2 HIS 8 far 0 78 0 - 8.5-16.0 Violated in 0 structures by 0.00 A. Peak 90 from cnoeabs.peaks (8.49, 3.13, 29.27 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HB2 HIS 8 OK 100 100 100 100 1.9-4.3 4.6=100 H SER 9 - HB3 HIS 7 far 9 61 15 - 4.7-7.8 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 2.4-3.8 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 - 5.5-8.6 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 HB2 HIS 7 - HB3 HIS 8 far 0 78 0 - 4.7-7.4 HB3 HIS 7 - HB3 HIS 8 far 0 85 0 - 5.2-7.1 HB2 HIS 6 - HB3 HIS 8 far 0 81 0 - 5.4-10.6 HB2 HIS 4 - HB3 HIS 8 far 0 63 0 - 7.6-17.0 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 2.0-4.2 4.6=100 H GLU 97 - HB3 HIS 8 far 0 96 0 - 9.8-58.7 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 1 assignment used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 97 from cnoeabs.peaks (4.39, 4.39, 58.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 33 + HA SER 33 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 94 94 - 100 Peak 98 from cnoeabs.peaks (3.80, 4.39, 58.30 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 88 0 - 8.5-13.0 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 3 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 89 0 - 8.5-13.0 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 2 assignments used, quality = 1.00: * H HIS 10 + HA SER 9 OK 100 100 100 100 2.1-2.7 6054=100, 6051/3.0=30...(6) H HIS 7 - HA SER 9 far 0 89 0 - 6.8-9.1 Violated in 0 structures by 0.00 A. Peak 101 from cnoeabs.peaks (8.49, 3.80, 63.71 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-4.1 4.0=100 H SER 9 + HB3 SER 9 OK 100 100 100 100 2.4-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 102 from cnoeabs.peaks (4.39, 3.80, 63.71 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA MET 11 - HB3 SER 9 far 0 60 0 - 5.2-7.8 HA MET 11 - HB2 SER 9 far 0 60 0 - 5.4-7.8 HA HIS 5 - HB2 SER 9 far 0 89 0 - 7.2-15.8 HA HIS 5 - HB3 SER 9 far 0 89 0 - 8.0-16.6 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 4 assignments used, quality = 1.00: * H HIS 10 + HB2 SER 9 OK 100 100 100 100 2.0-4.5 4.5=100 H HIS 10 + HB3 SER 9 OK 100 100 100 100 1.9-4.5 4.5=100 H HIS 7 - HB2 SER 9 far 9 89 10 - 5.7-10.8 H HIS 7 - HB3 SER 9 far 9 89 10 - 5.3-11.2 Violated in 0 structures by 0.00 A. Peak 106 from cnoeabs.peaks (8.49, 3.80, 63.71 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 100 100 100 100 2.4-3.9 4.0=100 H SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 107 from cnoeabs.peaks (4.39, 3.80, 63.71 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA MET 11 - HB3 SER 9 far 0 60 0 - 5.2-7.8 HA MET 11 - HB2 SER 9 far 0 60 0 - 5.4-7.8 HA HIS 5 - HB2 SER 9 far 0 89 0 - 7.2-15.8 HA HIS 5 - HB3 SER 9 far 0 89 0 - 8.0-16.6 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 4 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 2.0-4.5 4.5=100 H HIS 7 - HB3 SER 9 far 9 89 10 - 5.3-11.2 H HIS 7 - HB2 SER 9 far 9 89 10 - 5.7-10.8 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 9 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 7 65 35 32 4.1-5.9 ~6036=20, 87=5, ~11936=4...(5) HB3 HIS 6 - HA HIS 8 far 0 82 0 - 5.1-7.8 HB2 HIS 6 - HA HIS 8 far 0 69 0 - 5.8-8.6 HB2 HIS 10 - HA HIS 8 far 0 86 0 - 6.2-8.8 HB3 HIS 7 - HA HIS 10 far 0 83 0 - 7.3-12.1 HB3 HIS 6 - HA HIS 10 far 0 98 0 - 9.2-14.6 HB3 HIS 3 - HA HIS 8 far 0 65 0 - 9.7-19.8 HB2 HIS 6 - HA HIS 10 far 0 87 0 - 10.0-15.2 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 4 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 10 - HA HIS 8 far 0 86 0 - 6.7-9.2 HB2 HIS 5 - HA HIS 8 far 0 59 0 - 6.7-12.4 HB3 HIS 4 - HA HIS 8 far 0 59 0 - 8.9-15.0 Violated in 0 structures by 0.00 A. Peak 115 from cnoeabs.peaks (8.41, 4.69, 55.19 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 100 100 2.1-3.1 6063=100, 6065/3.0=43...(5) H ASN 13 - HA HIS 10 far 0 73 0 - 6.6-9.6 H MET 11 - HA HIS 8 far 0 86 0 - 7.4-9.7 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 6 assignments used, quality = 1.00: * H HIS 10 + HB2 HIS 10 OK 100 100 100 100 3.0-3.5 4.0=100 H HIS 7 + HB3 HIS 6 OK 37 42 100 88 2.0-4.4 4.4=83, 6030/3.0=29...(4) H HIS 7 + HB2 HIS 6 OK 23 26 100 90 1.9-4.5 4.4=83, 6030/3.0=29...(8) H HIS 10 - HB3 HIS 6 far 0 53 0 - 8.7-13.2 H HIS 7 - HB2 HIS 10 far 0 89 0 - 9.5-12.5 H HIS 10 - HB2 HIS 6 far 0 33 0 - 9.6-14.4 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 - 5.1-7.8 HA HIS 8 - HB2 HIS 6 far 0 31 0 - 5.8-8.6 HA HIS 8 - HB2 HIS 10 far 0 99 0 - 6.2-8.8 HA HIS 10 - HB3 HIS 6 far 0 53 0 - 9.2-14.6 HA HIS 10 - HB2 HIS 6 far 0 33 0 - 10.0-15.2 Violated in 0 structures by 0.00 A. Peak 118 from cnoeabs.peaks (3.17, 3.17, 28.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 HB3 HIS 6 + HB3 HIS 6 OK 50 50 - 100 HB2 HIS 6 + HB2 HIS 6 OK 25 25 - 100 Peak 119 from cnoeabs.peaks (3.25, 3.17, 28.77 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 - HB2 HIS 6 far 0 20 0 - 4.4-8.5 HB3 HIS 4 - HB3 HIS 6 far 0 34 0 - 4.6-9.7 HB2 HIS 5 - HB2 HIS 6 far 0 20 0 - 4.8-7.5 HB2 HIS 5 - HB3 HIS 6 far 0 34 0 - 4.9-7.4 HB3 HIS 10 - HB3 HIS 6 far 0 53 0 - 8.7-15.4 HB3 HIS 10 - HB2 HIS 6 far 0 33 0 - 9.1-15.9 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 2 assignments used, quality = 1.00: * H MET 11 + HB2 HIS 10 OK 100 100 100 100 4.1-4.1 4.7=100 H ASN 13 - HB2 HIS 10 far 0 73 0 - 7.3-10.0 Violated in 0 structures by 0.00 A. Peak 121 from cnoeabs.peaks (8.71, 3.25, 28.77 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.2-3.9 4.0=100 H HIS 7 - HB3 HIS 10 far 0 89 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 122 from cnoeabs.peaks (4.69, 3.25, 28.77 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 8 - HB3 HIS 10 far 0 99 0 - 6.7-9.2 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 4 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 7 - HB3 HIS 10 far 0 83 0 - 7.1-13.4 HB3 HIS 6 - HB3 HIS 10 far 0 98 0 - 8.7-15.4 HB2 HIS 6 - HB3 HIS 10 far 0 87 0 - 9.1-15.9 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 2 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 - 7.7-8.8 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 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 ASN 13 - HA MET 11 far 4 73 5 - 4.0-6.6 Violated in 0 structures by 0.00 A. Peak 127 from cnoeabs.peaks (4.42, 4.42, 55.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 HA HIS 5 + HA HIS 5 OK 61 61 - 100 Peak 128 from cnoeabs.peaks (1.92, 4.42, 55.13 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 95 - HA HIS 5 far 0 54 0 - 7.6-70.7 HB2 LYS 95 - HA HIS 5 far 0 59 0 - 9.2-70.9 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 6 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.3-2.8 3.0=100 QE MET 11 - HA MET 11 far 13 87 15 - 2.8-4.7 HB VAL 20 - HA MET 11 far 0 81 0 - 7.3-22.5 HB3 PRO 117 - HA HIS 5 far 0 59 0 - 7.9-72.8 HG3 PRO 117 - HA HIS 5 far 0 36 0 - 8.0-73.9 HB VAL 63 - HA MET 11 far 0 100 0 - 9.8-47.8 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 2 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.8 4.0=100 HG3 GLN 104 - HA MET 11 far 0 99 0 - 5.8-48.6 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 2.1-4.0 4.0=100 HG3 GLU 102 - HA HIS 5 far 0 68 0 - 7.3-64.8 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 2 assignments used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.2-2.6 6074=100, 6076/3.0=28...(6) H ASN 13 - HA MET 11 far 0 99 0 - 4.0-6.6 Violated in 0 structures by 0.00 A. Peak 133 from cnoeabs.peaks (8.41, 1.92, 32.84 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 100 100 2.1-2.7 4.0=100 H ASN 13 - HB2 MET 11 far 4 73 5 - 4.1-8.0 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 2.4-3.0 3.0=100 HA SER 9 - HB2 MET 11 far 3 60 5 - 4.9-8.7 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): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 11 + HB2 MET 11 OK 33 87 55 69 2.3-4.2 11791/2.9=26...(7) HB VAL 20 - HB2 MET 11 far 0 81 0 - 7.9-23.0 HB VAL 63 - HB2 MET 11 far 0 100 0 - 8.9-47.3 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 2.2-2.7 2.9=100 HG3 GLN 104 - HB2 MET 11 far 5 99 5 - 4.0-50.6 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 2.9-3.0 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 2 assignments used, quality = 1.00: * H ALA 12 + HB2 MET 11 OK 100 100 100 100 3.5-4.2 6075=100, 6074/3.0=92...(9) H ASN 13 - HB2 MET 11 far 5 99 5 - 4.1-8.0 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 3 assignments used, quality = 1.00: * H MET 11 + HB3 MET 11 OK 100 100 100 100 3.3-3.6 4.0=100 H ASN 13 - HB3 MET 11 far 4 73 5 - 2.7-7.5 H GLN 27 - HB3 MET 11 far 0 71 0 - 10.0-31.1 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 2.3-2.8 3.0=100 HA SER 9 - HB3 MET 11 far 0 60 0 - 6.3-9.6 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 1 assignment used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 143 from cnoeabs.peaks (2.02, 2.02, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 144 from cnoeabs.peaks (2.47, 2.02, 32.84 ppm; 6.76 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 GLN 104 - HB3 MET 11 far 5 99 5 - 4.4-50.1 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 2.2-2.7 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 2 assignments used, quality = 1.00: * H ALA 12 + HB3 MET 11 OK 100 100 100 100 2.1-3.6 6074/3.0=91, 4.4=88...(10) H ASN 13 - HB3 MET 11 far 5 99 5 - 2.7-7.5 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 2.4-3.8 4.0=100 HA SER 9 - HG2 MET 11 far 3 60 5 - 3.9-10.2 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 1 assignment used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 150 from cnoeabs.peaks (2.02, 2.47, 31.70 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 QE MET 11 + HG2 MET 11 OK 87 87 100 100 2.0-3.2 3.3=100 HB VAL 20 - HG2 MET 11 far 0 81 0 - 5.6-22.8 HB VAL 63 - HG2 MET 11 far 0 100 0 - 7.4-47.3 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 3 assignments used, quality = 1.00: * H MET 11 + HG3 MET 11 OK 100 100 100 100 2.6-4.4 6070=100, 6069/1.8=97...(10) H ASN 13 - HG3 MET 11 far 7 73 10 - 1.9-7.8 H GLN 27 - HG3 MET 11 far 0 71 0 - 9.1-33.2 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 3 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.1-4.0 4.0=100 HA SER 9 - HG3 MET 11 far 0 60 0 - 5.6-9.9 HA ASP 71 - HG3 MET 11 far 0 99 0 - 9.7-47.0 Violated in 0 structures by 0.00 A. Peak 156 from cnoeabs.peaks (1.92, 2.52, 31.70 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.9-3.0 2.9=100 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 4 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-2.7 2.9=100 QE MET 11 + HG3 MET 11 OK 87 87 100 100 2.0-3.4 3.3=100 HB VAL 20 - HG3 MET 11 far 0 81 0 - 5.2-21.8 HB VAL 63 - HG3 MET 11 far 0 100 0 - 7.5-46.4 Violated in 0 structures by 0.00 A. Peak 158 from cnoeabs.peaks (2.47, 2.52, 31.70 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 104 - HG3 MET 11 far 0 99 0 - 5.6-51.9 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 11 assignments used, quality = 1.00: * H ALA 12 + HA ALA 12 OK 100 100 100 100 2.8-2.9 3.0=100 H ASN 13 + HA ALA 12 OK 98 99 100 99 2.5-3.1 6084=98, 6085/2.1=54 H ASN 13 - HA ALA 15 far 0 96 0 - 6.1-9.1 H ALA 12 - HA ALA 15 far 0 99 0 - 6.2-11.2 H ASN 116 - HA ALA 109 far 0 95 0 - 7.0-11.9 H ASN 116 - HA ALA 110 far 0 75 0 - 7.3-12.3 H ALA 34 - HA ALA 16 far 0 76 0 - 7.7-30.2 H ASN 13 - HA ALA 16 far 0 82 0 - 7.9-12.4 H ALA 34 - HA ALA 15 far 0 91 0 - 8.7-30.6 H ASN 116 - HA ALA 108 far 0 59 0 - 8.7-13.3 H ALA 12 - HA ALA 16 far 0 85 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 162 from cnoeabs.peaks (4.28, 4.28, 52.39 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 12 + HA ALA 12 OK 100 100 - 100 HA ALA 15 + HA ALA 15 OK 99 99 - 100 HA ALA 21 + HA ALA 21 OK 98 98 - 100 HA ALA 109 + HA ALA 109 OK 92 92 - 100 HA ALA 16 + HA ALA 16 OK 81 81 - 100 HA ALA 110 + HA ALA 110 OK 75 75 - 100 HA ALA 108 + HA ALA 108 OK 56 56 - 100 Peak 163 from cnoeabs.peaks (1.36, 4.28, 52.39 ppm; 2.50 A): 6 out of 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 19 - HA ALA 16 far 8 84 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 63 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 68 0 - 3.7-5.0 QB ALA 15 - HA ALA 16 far 0 58 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 38 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 38 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 46 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 29 0 - 4.1-5.0 QB ALA 21 - HA ALA 16 far 0 68 0 - 4.7-8.5 QB ALA 12 - HA ALA 15 far 0 99 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 76 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 98 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 80 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 98 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 78 0 - 6.7-18.6 HG2 LYS 19 - HA ALA 12 far 0 100 0 - 6.7-20.0 QB ALA 21 - HA ALA 15 far 0 83 0 - 7.0-11.8 QB ALA 12 - HA ALA 16 far 0 85 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 73 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 70 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 62 0 - 7.7-23.1 HG3 LYS 26 - HA ALA 21 far 0 75 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 56 0 - 8.6-21.3 QB ALA 21 - HA ALA 12 far 0 87 0 - 8.8-17.6 QB ALA 12 - HA ALA 21 far 0 99 0 - 10.0-18.9 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 15 assignments used, quality = 1.00: * H ASN 13 + HA ALA 12 OK 100 100 100 100 2.5-3.1 6084=100, 6085/2.1=56 H ALA 12 + HA ALA 12 OK 99 99 100 100 2.8-2.9 3.0=100 H MET 11 - HA ALA 12 far 0 73 0 - 5.2-5.9 H ASN 13 - HA ALA 15 far 0 99 0 - 6.1-9.1 H ALA 12 - HA ALA 15 far 0 96 0 - 6.2-11.2 H ASN 116 - HA ALA 109 far 0 91 0 - 7.0-11.9 H ASN 116 - HA ALA 110 far 0 70 0 - 7.3-12.3 H SER 74 - HA ALA 16 far 0 42 0 - 7.6-36.8 H MET 11 - HA ALA 15 far 0 70 0 - 7.7-15.1 H ALA 34 - HA ALA 16 far 0 84 0 - 7.7-30.2 H ASN 13 - HA ALA 16 far 0 85 0 - 7.9-12.4 H MET 11 - HA ALA 16 far 0 56 0 - 8.3-16.9 H ALA 34 - HA ALA 15 far 0 98 0 - 8.7-30.6 H ASN 116 - HA ALA 108 far 0 55 0 - 8.7-13.3 H ALA 12 - HA ALA 16 far 0 82 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 165 from cnoeabs.peaks (8.44, 1.36, 18.84 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 12 + QB ALA 12 OK 100 100 100 100 2.0-2.9 2.9=100 H ASN 13 + QB ALA 12 OK 98 99 100 100 1.9-3.5 6085=98, 6084/2.1=77...(8) H ASN 13 - QB ALA 21 far 0 57 0 - 7.7-16.7 H ALA 34 - QB ALA 21 far 0 52 0 - 8.2-23.7 H ALA 12 - QB ALA 21 far 0 60 0 - 9.3-17.4 H ALA 34 - QB ALA 12 far 0 95 0 - 9.4-33.6 H LEU 70 - QB ALA 12 far 0 81 0 - 10.0-35.8 Violated in 0 structures by 0.00 A. Peak 166 from cnoeabs.peaks (4.28, 1.36, 18.84 ppm; 2.50 A): 2 out of 18 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 poor 18 58 85 36 1.8-5.6 10686=12, 3.0/10670=9...(5) HA LEU 22 - QB ALA 21 far 0 47 0 - 4.3-4.4 HA LYS 19 - QB ALA 21 far 0 46 0 - 4.5-6.0 HA ALA 16 - QB ALA 21 far 0 56 0 - 4.7-8.5 HA ALA 15 - QB ALA 12 far 0 100 0 - 4.9-9.6 HA ARG 23 - QB ALA 21 far 0 60 0 - 6.2-7.0 HA THR 18 - QB ALA 12 far 0 99 0 - 6.4-15.6 HA LYS 19 - QB ALA 12 far 0 87 0 - 6.7-17.3 HA ALA 15 - QB ALA 21 far 0 60 0 - 7.0-11.8 HA ALA 16 - QB ALA 12 far 0 98 0 - 7.0-12.2 HA LYS 31 - QB ALA 21 far 0 57 0 - 7.3-20.0 HA ALA 12 - QB ALA 21 far 0 60 0 - 8.8-17.6 HA THR 25 - QB ALA 21 far 0 58 0 - 8.9-11.5 HA LYS 26 - QB ALA 21 far 0 49 0 - 9.0-12.4 HA LYS 31 - QB ALA 12 far 0 99 0 - 9.8-28.1 HA ALA 21 - QB ALA 12 far 0 100 0 - 10.0-18.9 Violated in 0 structures by 0.00 A. Peak 167 from cnoeabs.peaks (1.36, 1.36, 18.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 12 + QB ALA 12 OK 100 100 - 100 QB ALA 21 + QB ALA 21 OK 46 46 - 100 Peak 168 from cnoeabs.peaks (8.44, 1.36, 18.84 ppm; 3.26 A): 2 out of 8 assignments used, quality = 1.00: * H ASN 13 + QB ALA 12 OK 100 100 100 100 1.9-3.5 6085=100, 6084/2.1=79...(8) H ALA 12 + QB ALA 12 OK 99 99 100 100 2.0-2.9 2.9=100 H MET 11 - QB ALA 12 far 0 73 0 - 4.9-5.9 H ASN 13 - QB ALA 21 far 0 60 0 - 7.7-16.7 H ALA 34 - QB ALA 21 far 0 59 0 - 8.2-23.7 H ALA 12 - QB ALA 21 far 0 57 0 - 9.3-17.4 H ALA 34 - QB ALA 12 far 0 100 0 - 9.4-33.6 H LEU 70 - QB ALA 12 far 0 60 0 - 10.0-35.8 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 3 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 23 99 25 94 4.7-5.9 6080/5.0=44, ~6084=32...(11) H MET 11 - HA ASN 13 far 0 73 0 - 6.9-9.2 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 1 assignment used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.6 3.0=100 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 2.3-3.0 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 2 assignments used, quality = 1.00: * H GLY 14 + HA ASN 13 OK 100 100 100 100 2.2-3.0 6106=100, 6107/3.0=36...(5) H LYS 19 - HA ASN 13 far 0 89 0 - 6.7-15.9 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 3 assignments used, quality = 1.00: * H ASN 13 + HB2 ASN 13 OK 100 100 100 100 3.6-3.9 6087=100, 6088/1.8=83...(4) H ALA 12 - HB2 ASN 13 far 0 99 0 - 5.8-7.7 H MET 11 - HB2 ASN 13 far 0 73 0 - 8.1-11.3 Violated in 1 structures by 0.01 A. Peak 177 from cnoeabs.peaks (4.66, 2.81, 38.79 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.3-2.6 3.0=100 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 1 assignment used, quality = 1.00: * HD21 ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 181 from cnoeabs.peaks (6.90, 2.81, 38.79 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB2 ASN 13 OK 100 100 100 100 3.4-4.1 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 2 assignments used, quality = 1.00: * H GLY 14 + HB2 ASN 13 OK 100 100 100 100 1.9-4.5 4.5=100 H LYS 19 - HB2 ASN 13 far 0 89 0 - 8.4-14.7 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 3 assignments used, quality = 1.00: * H ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.3-3.1 6088=100, 6087/1.8=85...(4) H ALA 12 - HB3 ASN 13 far 5 99 5 - 4.8-7.2 H MET 11 - HB3 ASN 13 far 0 73 0 - 6.7-10.6 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 1 assignment used, quality = 1.00: * HA ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.3-3.0 3.0=100 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 1 assignment used, quality = 1.00: * HB2 ASN 13 + HB3 ASN 13 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 186 from cnoeabs.peaks (2.77, 2.77, 38.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HB3 ASN 13 OK 100 100 - 100 Peak 187 from cnoeabs.peaks (7.60, 2.77, 38.79 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 188 from cnoeabs.peaks (6.90, 2.77, 38.79 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB3 ASN 13 OK 100 100 100 100 3.4-4.1 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 2 assignments used, quality = 1.00: * H GLY 14 + HB3 ASN 13 OK 100 100 100 100 2.7-4.6 4.5=100 H LYS 19 - HB3 ASN 13 far 0 89 0 - 9.0-15.8 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 2.3-3.0 3.0=100 H LYS 19 - HA3 GLY 14 far 0 89 0 - 7.1-13.8 H LYS 19 - HA2 GLY 14 far 0 89 0 - 7.5-12.9 H ASP 35 - HA2 GLY 14 far 0 83 0 - 8.9-35.8 H ASP 35 - HA3 GLY 14 far 0 83 0 - 9.0-36.0 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 5 assignments used, quality = 1.00: * H ALA 15 + HA2 GLY 14 OK 100 100 100 100 2.1-3.6 3.6=100 H ALA 15 + HA3 GLY 14 OK 100 100 100 100 2.4-3.6 3.6=100 H ASP 71 - HA2 GLY 14 far 0 100 0 - 8.5-37.2 H ILE 32 - HA2 GLY 14 far 0 100 0 - 9.4-27.9 H ASP 71 - HA3 GLY 14 far 0 100 0 - 9.9-38.6 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 2.3-3.0 3.0=100 H GLY 14 + HA2 GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 H LYS 19 - HA3 GLY 14 far 0 89 0 - 7.1-13.8 H LYS 19 - HA2 GLY 14 far 0 89 0 - 7.5-12.9 H ASP 35 - HA2 GLY 14 far 0 83 0 - 8.9-35.8 H ASP 35 - HA3 GLY 14 far 0 83 0 - 9.0-36.0 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 5 assignments used, quality = 1.00: * H ALA 15 + HA3 GLY 14 OK 100 100 100 100 2.4-3.6 3.6=100 H ALA 15 + HA2 GLY 14 OK 100 100 100 100 2.1-3.6 3.6=100 H ASP 71 - HA2 GLY 14 far 0 100 0 - 8.5-37.2 H ILE 32 - HA2 GLY 14 far 0 100 0 - 9.4-27.9 H ASP 71 - HA3 GLY 14 far 0 100 0 - 9.9-38.6 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 9 assignments used, quality = 1.00: * H ALA 15 + HA ALA 15 OK 100 100 100 100 2.3-2.9 3.0=100 H LEU 22 + HA ALA 21 OK 88 96 100 92 2.9-3.4 3.6=60, 6186/2.1=60...(5) H ALA 15 - HA ALA 16 far 0 93 0 - 4.2-5.9 H ALA 15 - HA ALA 12 far 0 99 0 - 5.5-9.8 H LEU 22 - HA ALA 16 far 0 91 0 - 7.1-12.0 H ALA 15 - HA ALA 21 far 0 97 0 - 8.7-15.1 H ASP 71 - HA ALA 16 far 0 91 0 - 9.7-34.3 H ILE 32 - HA ALA 16 far 0 93 0 - 9.8-26.0 H LEU 22 - HA ALA 15 far 0 99 0 - 9.8-14.8 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 QB ALA 108 - HA ALA 109 far 13 90 15 - 3.6-4.4 HG2 LYS 19 - HA ALA 16 far 8 76 10 - 2.8-8.6 QB ALA 110 - HA ALA 109 far 0 90 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 78 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 93 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 90 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 78 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 91 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 76 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 76 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 99 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 81 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 97 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 87 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 97 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 73 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 75 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 83 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 65 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 97 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 97 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 93 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 99 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 95 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 97 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 93 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 70 0 - 10.0-18.9 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 6 assignments used, quality = 1.00: * H ALA 16 + HA ALA 15 OK 100 100 100 100 2.1-3.5 3.6=100 H ALA 16 + HA ALA 16 OK 93 93 100 100 2.3-2.9 3.0=100 H VAL 57 - HA ALA 110 far 0 62 0 - 7.5-15.0 H ALA 16 - HA ALA 21 far 0 97 0 - 7.7-11.2 H ALA 16 - HA ALA 12 far 0 99 0 - 8.1-12.4 H TYR 76 - HA ALA 16 far 0 84 0 - 9.1-36.0 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 13 assignments used, quality = 1.00: * H ALA 15 + QB ALA 15 OK 100 100 100 100 2.0-2.8 2.9=100 H ILE 32 + QB ALA 29 OK 68 100 70 98 3.7-5.5 6344/10790=65...(13) H ILE 32 - QB ALA 28 far 0 100 0 - 4.7-7.1 H LEU 22 - QB ALA 28 far 0 99 0 - 6.2-15.0 H ASP 71 - QB ALA 29 far 0 99 0 - 6.5-18.7 H LEU 22 - QB ALA 29 far 0 99 0 - 6.8-16.5 H ASN 121 - QB ALA 108 far 0 80 0 - 7.6-15.0 H ILE 32 - QB ALA 15 far 0 100 0 - 7.7-23.0 H ASN 121 - QB ALA 109 far 0 57 0 - 8.3-13.2 H LEU 22 - QB ALA 15 far 0 99 0 - 8.5-13.3 H ASN 121 - QB ALA 110 far 0 80 0 - 9.2-16.5 H ASP 71 - QB ALA 15 far 0 100 0 - 9.3-31.6 H ALA 15 - QB ALA 28 far 0 100 0 - 9.9-23.5 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 48 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 5 100 5 - 3.6-12.8 HA THR 25 - QB ALA 29 far 5 99 5 - 3.0-10.9 HA ALA 109 - QB ALA 108 far 5 98 5 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 98 0 - 3.7-5.0 HA ALA 16 - QB ALA 15 far 0 98 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 80 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 98 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 99 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 100 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 73 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 76 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 86 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 90 0 - 4.5-7.6 HA THR 25 - QB ALA 28 far 0 99 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 87 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 97 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 100 0 - 5.1-10.2 HA LYS 26 - QB ALA 29 far 0 89 0 - 5.2-10.0 HA LYS 31 - QB ALA 28 far 0 98 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 88 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 98 0 - 5.8-7.6 HB THR 115 - QB ALA 108 far 0 96 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 100 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 99 0 - 6.7-18.6 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 99 0 - 7.0-26.2 HA ALA 21 - QB ALA 15 far 0 100 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 86 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 99 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 97 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 96 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 100 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 99 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 88 0 - 8.0-17.1 HA GLN 61 - QB ALA 28 far 0 100 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 99 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 90 0 - 8.2-21.5 HA GLN 61 - QB ALA 15 far 0 100 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 99 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 98 0 - 8.6-21.3 HA THR 18 - QB ALA 29 far 0 98 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 99 0 - 9.0-35.4 HA GLN 61 - QB ALA 109 far 0 79 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 97 0 - 9.6-14.8 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 6 assignments used, quality = 1.00: * H ALA 16 + QB ALA 15 OK 100 100 100 100 1.9-3.7 3.7=100 H VAL 57 - QB ALA 109 far 0 51 0 - 7.2-12.7 H VAL 57 - QB ALA 110 far 0 73 0 - 7.6-12.9 H VAL 57 - QB ALA 108 far 0 72 0 - 7.8-13.9 H ALA 16 - QB ALA 28 far 0 100 0 - 8.3-21.2 H LEU 48 - QB ALA 29 far 0 91 0 - 9.8-24.2 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 6 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 86 93 100 93 2.1-3.5 3.6=83, 6124/2.1=36, 6122/3.0=35 H VAL 57 - HA ALA 110 far 0 61 0 - 7.5-15.0 H ALA 16 - HA ALA 21 far 0 73 0 - 7.7-11.2 H ALA 16 - HA ALA 12 far 0 85 0 - 8.1-12.4 H TYR 76 - HA ALA 16 far 0 95 0 - 9.1-36.0 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 30 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 77 77 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 73 73 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 65 65 100 100 2.1-2.1 2.1=100 QB ALA 108 - HA ALA 109 far 0 69 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 65 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 93 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 78 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 77 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 69 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 70 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 81 0 - 4.1-5.0 QB ALA 15 - HA ALA 12 far 0 60 0 - 5.1-10.2 QB ALA 34 - HA ALA 16 far 0 93 0 - 5.1-27.1 QB ALA 34 - HA ALA 15 far 0 83 0 - 5.6-27.3 HG2 LYS 24 - HA ALA 21 far 0 44 0 - 6.1-9.3 QB ALA 29 - HA ALA 21 far 0 46 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 73 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 85 0 - 6.7-12.6 HG3 LYS 31 - HA ALA 16 far 0 93 0 - 6.9-24.0 QB ALA 15 - HA ALA 21 far 0 50 0 - 7.2-12.2 QB ALA 34 - HA ALA 21 far 0 63 0 - 7.6-26.0 QB ALA 28 - HA ALA 21 far 0 52 0 - 7.6-17.3 HG2 LYS 26 - HA ALA 21 far 0 38 0 - 7.6-16.6 QB ALA 29 - HA ALA 16 far 0 73 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 83 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 63 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 48 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 81 0 - 8.6-21.3 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 17 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 2.2-3.6 3.6=100 H ALA 110 + HA ALA 110 OK 72 72 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 71 71 100 100 2.1-3.6 3.6=100 H ALA 21 + HA ALA 21 OK 65 65 100 100 2.3-2.9 3.0=100 H GLY 111 + HA ALA 109 OK 41 75 80 69 3.2-5.1 7578/2.1=20, 4.5/7570=17...(11) H GLY 17 - HA ALA 15 far 14 93 15 - 4.1-6.3 H LYS 19 - HA ALA 16 far 6 60 10 - 4.3-7.1 H GLY 111 - HA ALA 108 far 4 79 5 - 3.6-7.8 H ALA 110 - HA ALA 108 lone 1 75 40 4 3.3-6.5 11478/11966=2, 3529/2.1=1 H LYS 19 - HA ALA 15 far 0 51 0 - 4.7-10.4 H LYS 19 - HA ALA 21 far 0 37 0 - 5.5-7.3 H GLY 17 - HA ALA 21 far 0 73 0 - 5.8-9.5 H ALA 21 - HA ALA 16 far 0 96 0 - 6.2-9.9 H GLY 17 - HA ALA 12 far 0 85 0 - 6.5-15.7 H ALA 21 - HA ALA 15 far 0 85 0 - 8.0-12.6 H LYS 19 - HA ALA 12 far 0 45 0 - 8.3-19.0 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 7 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 100 100 2.3-2.9 2.9=100 H TYR 76 - QB ALA 34 far 0 47 0 - 5.3-9.5 H CYS 79 - QB ALA 34 far 0 47 0 - 5.8-10.9 H ALA 16 - QB ALA 34 far 0 54 0 - 6.0-26.2 H VAL 57 - QB ALA 109 far 0 27 0 - 7.2-12.7 H CYS 79 - QB ALA 16 far 0 95 0 - 8.3-32.7 H TYR 76 - QB ALA 16 far 0 95 0 - 8.7-30.8 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 30 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 LYS 19 - QB ALA 34 far 3 50 5 - 3.0-20.7 HA ALA 15 - QB ALA 16 far 0 98 0 - 3.7-4.3 HA ALA 110 - QB ALA 109 far 0 43 0 - 3.8-4.9 HB THR 115 - QB ALA 109 far 0 46 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 46 0 - 4.1-5.0 HA THR 18 - QB ALA 16 far 0 90 0 - 4.6-7.3 HA ARG 23 - QB ALA 34 far 0 50 0 - 4.9-22.7 HA ALA 16 - QB ALA 34 far 0 54 0 - 5.1-27.1 HA ARG 23 - QB ALA 16 far 0 97 0 - 5.2-13.6 HA THR 25 - QB ALA 34 far 0 45 0 - 5.3-20.8 HA LYS 19 - QB ALA 16 far 0 98 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 100 0 - 5.6-21.8 HA ALA 15 - QB ALA 34 far 0 50 0 - 5.6-27.3 HA SER 74 - QB ALA 16 far 0 92 0 - 5.9-32.2 HA LYS 36 - QB ALA 34 far 0 54 0 - 6.5-6.6 HA LYS 26 - QB ALA 34 far 0 52 0 - 6.5-18.5 HA ALA 21 - QB ALA 16 far 0 93 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 98 0 - 6.7-12.6 HA THR 18 - QB ALA 34 far 0 43 0 - 7.1-24.1 HA LEU 22 - QB ALA 16 far 0 99 0 - 7.1-12.8 HA LEU 22 - QB ALA 34 far 0 51 0 - 7.2-25.8 HA SER 74 - QB ALA 34 far 0 45 0 - 7.4-12.2 HA ALA 21 - QB ALA 34 far 0 46 0 - 7.6-26.0 HA LYS 26 - QB ALA 16 far 0 99 0 - 8.1-18.7 HA LYS 36 - QB ALA 16 far 0 100 0 - 8.3-29.6 HA LYS 31 - QB ALA 34 far 0 54 0 - 8.5-9.9 HA GLN 61 - QB ALA 109 far 0 45 0 - 9.4-13.4 HA THR 25 - QB ALA 16 far 0 92 0 - 9.9-18.5 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 12 assignments used, quality = 1.00: * H GLY 17 + QB ALA 16 OK 100 100 100 100 2.4-3.7 3.7=100 H ALA 110 + QB ALA 109 OK 33 33 100 100 2.0-3.7 3.7=100 H GLY 111 + QB ALA 109 OK 31 36 100 88 2.4-4.6 3.0/10677=29...(9) H LYS 19 - QB ALA 16 poor 10 60 55 30 3.3-6.9 10699/4.7=13...(5) H ALA 21 - QB ALA 16 far 5 96 5 - 5.1-8.9 H ALA 21 - QB ALA 34 far 2 48 5 - 5.4-23.7 H LYS 19 - QB ALA 34 far 1 26 5 - 4.8-22.1 H GLY 17 - QB ALA 34 far 0 54 0 - 6.9-26.4 H TYR 72 - QB ALA 34 far 0 54 0 - 7.3-10.5 H ALA 28 - QB ALA 34 far 0 52 0 - 8.0-15.3 H ALA 28 - QB ALA 16 far 0 99 0 - 9.2-20.0 H TYR 72 - QB ALA 16 far 0 100 0 - 9.9-29.2 Violated in 0 structures by 0.00 A. Peak 214 from cnoeabs.peaks (8.32, 3.96, 45.21 ppm; 3.22 A): 3 out of 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 2.3-2.9 3.0=100 H LYS 19 - HA2 GLY 17 poor 17 60 65 42 3.1-5.0 6144/3.6=20, 10699=9...(6) H LYS 19 - HA3 GLY 17 poor 12 60 20 - 3.3-5.4 H ALA 21 - HA2 GLY 17 far 0 96 0 - 4.5-7.2 H ALA 21 - HA3 GLY 17 far 0 96 0 - 4.7-8.5 H ALA 110 - HA3 GLY 111 far 0 53 0 - 4.9-5.9 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 3 assignments used, quality = 0.99: * H THR 18 + HA2 GLY 17 OK 92 100 100 92 2.1-3.6 3.6=71, 6134/3.0=45...(6) H THR 18 + HA3 GLY 17 OK 92 100 100 92 2.1-3.6 3.6=71, 6134/3.0=45...(6) H ASP 64 - HA3 GLY 111 far 0 60 0 - 9.3-15.7 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 2.3-2.9 3.0=100 H LYS 19 - HA2 GLY 17 poor 17 60 65 42 3.1-5.0 6144/3.6=20, 10699=9...(6) H LYS 19 - HA3 GLY 17 poor 12 60 20 - 3.3-5.4 H ALA 21 - HA2 GLY 17 far 0 96 0 - 4.5-7.2 H ALA 21 - HA3 GLY 17 far 0 96 0 - 4.7-8.5 H ALA 110 - HA3 GLY 111 far 0 53 0 - 4.9-5.9 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 3 assignments used, quality = 0.99: H THR 18 + HA2 GLY 17 OK 92 100 100 92 2.1-3.6 3.6=71, 6134/3.0=45...(6) * H THR 18 + HA3 GLY 17 OK 92 100 100 92 2.1-3.6 3.6=71, 6134/3.0=45...(6) H ASP 64 - HA3 GLY 111 far 0 60 0 - 9.3-15.7 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 2.8-2.9 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 1 assignment used, quality = 1.00: * HB THR 18 + HA THR 18 OK 100 100 100 100 2.7-3.0 3.0=100 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 2.1-3.1 3.2=100 QG2 THR 25 - HA THR 18 far 0 90 0 - 9.7-14.6 HG12 ILE 32 - HA THR 18 far 0 98 0 - 9.8-22.5 Violated in 0 structures by 0.00 A. Peak 226 from cnoeabs.peaks (8.35, 4.29, 61.95 ppm; 2.89 A): 1 out of 4 assignments used, quality = 0.93: * H LYS 19 + HA THR 18 OK 93 100 100 93 3.4-3.6 6145=59, 6144/6139=43...(13) H GLY 17 - HA THR 18 far 0 60 0 - 4.2-5.4 H GLY 14 - HA THR 18 far 0 89 0 - 5.1-14.3 H LYS 24 - HA THR 18 far 0 83 0 - 7.0-11.5 Violated in 20 structures by 0.59 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 2.1-3.4 6140=100, 6141/2.1=72...(8) H ASP 64 - HB THR 25 far 0 78 0 - 6.4-35.9 H LYS 36 - HB THR 25 far 0 60 0 - 7.1-20.6 H ILE 37 - HB THR 25 far 0 86 0 - 9.3-21.9 Violated in 0 structures by 0.00 A. Peak 228 from cnoeabs.peaks (4.29, 4.19, 69.66 ppm; 4.35 A): 4 out of 18 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 2.3-2.7 3.0=100 HA LYS 19 + HB THR 18 OK 46 71 65 99 3.7-5.4 3.0/6146=80, ~226=37...(17) HA LYS 26 + HB THR 25 OK 30 60 50 99 4.3-5.9 2.9/6247=82, ~6248=47...(15) HA ALA 15 - HB THR 18 far 15 99 15 - 3.5-11.7 HA ALA 21 - HB THR 18 far 5 100 5 - 5.0-9.0 HA ARG 23 - HB THR 25 far 4 86 5 - 4.2-7.7 HA GLN 61 - HB THR 25 far 4 82 5 - 5.0-37.6 HA ALA 16 - HB THR 18 lone 1 90 45 2 4.6-8.2 2.1/10691=1 HA LEU 22 - HB THR 25 far 0 58 0 - 6.2-10.5 HA LEU 22 - HB THR 18 far 0 73 0 - 7.1-11.3 HA LYS 31 - HB THR 18 far 0 92 0 - 7.5-24.9 HA ALA 12 - HB THR 18 far 0 99 0 - 7.6-19.0 HA LYS 19 - HB THR 25 far 0 56 0 - 8.1-17.5 HA LYS 36 - HB THR 25 far 0 73 0 - 8.5-20.2 HA ARG 23 - HB THR 18 far 0 99 0 - 8.5-13.4 HA2 GLY 75 - HB THR 18 far 0 68 0 - 8.9-34.1 HA ALA 21 - HB THR 25 far 0 88 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 229 from cnoeabs.peaks (4.19, 4.19, 69.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 18 + HB THR 18 OK 100 100 - 100 HB THR 25 + HB THR 25 OK 85 85 - 100 Peak 230 from cnoeabs.peaks (1.17, 4.19, 69.66 ppm; 2.59 A): 2 out of 6 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 - 5.1-13.6 QG2 THR 18 - HB THR 25 far 0 88 0 - 8.0-16.0 QB ALA 41 - HB THR 25 far 0 88 0 - 9.4-22.5 QG2 THR 25 - HB THR 18 far 0 90 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 231 from cnoeabs.peaks (8.35, 4.19, 69.66 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 19 + HB THR 18 OK 100 100 100 100 2.6-3.7 6146=100, 226/3.0=62...(16) H LYS 26 + HB THR 25 OK 59 65 95 96 1.8-4.6 6247=70, 6248/2.1=47...(12) H GLY 17 - HB THR 18 far 0 60 0 - 4.3-6.6 H LYS 24 - HB THR 25 far 0 67 0 - 4.9-6.8 H ALA 28 - HB THR 25 far 0 63 0 - 4.9-10.0 H GLY 14 - HB THR 18 far 0 89 0 - 5.9-14.5 H LYS 24 - HB THR 18 far 0 83 0 - 8.5-14.1 H ALA 28 - HB THR 18 far 0 78 0 - 9.8-19.8 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 7 assignments used, quality = 1.00: * H THR 18 + QG2 THR 18 OK 100 100 100 100 2.8-3.8 6141=100, 6140/2.1=86...(6) H ASP 64 - QG2 THR 25 far 0 60 0 - 4.8-31.0 H LYS 36 - QG2 THR 25 far 0 46 0 - 6.6-18.6 H ILE 37 - QG2 THR 25 far 0 68 0 - 8.4-18.5 H LYS 36 - QG2 THR 18 far 0 76 0 - 9.0-23.5 H SER 51 - QG2 THR 25 far 0 64 0 - 9.1-35.4 H ILE 37 - QG2 THR 18 far 0 99 0 - 9.5-23.4 Violated in 0 structures by 0.00 A. Peak 233 from cnoeabs.peaks (4.29, 1.17, 21.38 ppm; 3.27 A): 3 out of 26 assignments used, quality = 1.00: * HA THR 18 + QG2 THR 18 OK 100 100 100 100 2.1-3.1 3.2=100 HA THR 25 + QG2 THR 25 OK 70 70 100 100 2.2-3.2 3.2=100 HA LYS 19 + QG2 THR 18 OK 53 71 85 89 2.8-5.2 3.0/6147=33, ~6146=24...(14) HA LYS 26 - QG2 THR 25 poor 18 46 45 87 3.0-5.6 2.9/6248=42, ~6247=25...(16) HA ALA 21 - QG2 THR 18 far 5 100 5 - 3.7-7.8 HA ALA 15 - QG2 THR 18 far 5 99 5 - 3.2-10.4 HA ARG 23 - QG2 THR 25 far 3 68 5 - 4.0-6.9 HA GLN 61 - QG2 THR 25 far 3 64 5 - 2.6-32.1 HA LYS 31 - QG2 THR 18 far 0 92 0 - 4.4-19.8 HA LEU 22 - QG2 THR 25 far 0 44 0 - 4.8-9.6 HA ALA 16 - QG2 THR 18 far 0 90 0 - 4.8-7.8 HA LEU 22 - QG2 THR 18 far 0 73 0 - 5.4-9.2 HA ARG 23 - QG2 THR 18 far 0 99 0 - 5.5-10.5 HA ALA 12 - QG2 THR 18 far 0 99 0 - 6.2-17.2 HA LYS 19 - QG2 THR 25 far 0 42 0 - 6.2-14.4 HA LYS 36 - QG2 THR 25 far 0 56 0 - 7.2-17.8 HA LYS 26 - QG2 THR 18 far 0 76 0 - 7.4-15.1 HA LYS 31 - QG2 THR 25 far 0 59 0 - 7.5-15.1 HA2 GLY 75 - QG2 THR 18 far 0 68 0 - 7.5-27.0 HA2 GLY 75 - QG2 THR 25 far 0 40 0 - 7.9-23.7 HA SER 74 - QG2 THR 25 far 0 70 0 - 8.5-26.3 HA ALA 21 - QG2 THR 25 far 0 70 0 - 8.6-11.8 HA THR 25 - QG2 THR 18 far 0 100 0 - 8.8-15.4 HA SER 74 - QG2 THR 18 far 0 100 0 - 9.4-30.3 HA ALA 12 - QG2 THR 25 far 0 68 0 - 9.5-27.5 HA THR 18 - QG2 THR 25 far 0 70 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 234 from cnoeabs.peaks (4.19, 1.17, 21.38 ppm; 2.77 A): 2 out of 6 assignments used, quality = 1.00: * HB THR 18 + QG2 THR 18 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 25 + QG2 THR 25 OK 67 67 100 100 2.1-2.1 2.1=100 HB THR 25 - QG2 THR 18 far 0 99 0 - 8.0-16.0 HA LEU 53 - QG2 THR 25 far 0 59 0 - 9.5-39.0 HA HIS 67 - QG2 THR 25 far 0 44 0 - 9.7-28.3 HB THR 18 - QG2 THR 25 far 0 70 0 - 9.8-16.2 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): 3 out of 13 assignments used, quality = 1.00: * H LYS 19 + QG2 THR 18 OK 100 100 100 100 2.2-4.4 6146/2.1=86, 4.3=84...(11) H LYS 26 + QG2 THR 25 OK 49 50 100 100 2.2-4.0 4.3=90, 6247/2.1=65...(11) H LYS 24 + QG2 THR 25 OK 20 51 45 88 4.2-5.5 6230/6242=57...(5) H GLY 17 - QG2 THR 18 poor 15 60 25 - 4.3-6.3 H ALA 28 - QG2 THR 25 far 7 48 15 - 2.3-8.7 H LYS 24 - QG2 THR 18 far 0 83 0 - 5.4-11.3 H GLY 14 - QG2 THR 18 far 0 89 0 - 5.5-13.0 H ALA 28 - QG2 THR 18 far 0 78 0 - 6.9-17.2 H GLU 44 - QG2 THR 25 far 0 58 0 - 7.8-27.7 H LYS 19 - QG2 THR 25 far 0 70 0 - 8.6-14.7 H TYR 72 - QG2 THR 25 far 0 39 0 - 8.8-24.2 H LYS 26 - QG2 THR 18 far 0 81 0 - 8.9-16.1 H TYR 72 - QG2 THR 18 far 0 65 0 - 9.8-27.4 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 16 assignments used, quality = 1.00: * H LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.8 3.0=100 H LYS 26 + HA LYS 26 OK 79 79 100 100 2.7-2.9 2.9=100 H LYS 24 - HA LYS 19 far 0 83 0 - 4.7-12.0 H ALA 28 - HA LYS 26 far 0 77 0 - 4.8-6.9 H ALA 28 - HA LYS 31 far 0 64 0 - 5.3-9.9 H GLY 17 - HA LYS 19 far 0 60 0 - 5.3-8.5 H LYS 24 - HA LYS 26 far 0 81 0 - 5.9-7.5 H LYS 24 - HA LYS 31 far 0 68 0 - 6.9-19.0 H ALA 28 - HA LYS 19 far 0 78 0 - 7.1-17.0 H LYS 26 - HA LYS 31 far 0 66 0 - 7.5-15.4 H GLU 44 - HA LYS 36 far 0 58 0 - 7.9-13.3 H LYS 19 - HA LYS 31 far 0 89 0 - 8.1-21.5 H LYS 26 - HA LYS 19 far 0 81 0 - 8.3-17.1 H LYS 19 - HA LYS 26 far 0 100 0 - 8.7-17.0 H TYR 72 - HA LYS 36 far 0 39 0 - 9.1-12.8 H GLY 14 - HA LYS 19 far 0 89 0 - 9.8-17.1 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 2.3-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 87 87 100 100 2.5-3.0 3.0=100 HB2 LYS 31 - HA LYS 26 far 5 98 5 - 4.0-13.4 HB2 ARG 23 - HA LYS 19 far 0 100 0 - 4.8-11.1 HB2 LYS 24 - HA LYS 19 far 0 100 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 89 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 99 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 99 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 99 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 88 0 - 6.8-19.6 HB2 LYS 24 - HA LYS 31 far 0 89 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 89 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 8.4-17.8 HB2 LYS 31 - HA LYS 36 far 0 68 0 - 8.7-13.3 HB2 LYS 39 - HA LYS 36 far 0 64 0 - 8.8-11.5 HB2 LEU 43 - HA LYS 36 far 0 46 0 - 9.7-14.9 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 23 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 2.3-2.6 3.0=100 HB3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.3-2.7 3.0=100 HB2 LYS 36 + HA LYS 36 OK 69 69 100 100 2.7-3.0 3.0=100 HB3 ARG 23 - HA LYS 26 far 5 95 5 - 4.3-10.0 HB3 LYS 26 - HA LYS 31 far 0 87 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 87 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 100 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 100 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 100 0 - 5.7-18.7 HB3 ARG 23 - HA LYS 19 far 0 97 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 100 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 69 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 88 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 99 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 99 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 83 0 - 7.8-20.0 HB3 LYS 19 - HA LYS 31 far 0 89 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 99 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 39 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 100 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 89 0 - 9.3-20.9 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 34 assignments used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 98 100 100 98 3.5-3.7 4.2=59, 6151/3.0=37...(39) HG3 LYS 26 + HA LYS 26 OK 86 87 100 99 2.5-3.8 4.0=64, 6253/2.9=47...(30) HG2 LYS 36 + HA LYS 36 OK 57 58 100 99 2.9-3.8 4.1=60, 6394/3.0=47...(29) HG3 LYS 31 + HA LYS 31 OK 53 55 100 97 2.1-3.7 3.8=77, 1.8/822=27...(22) HG2 LYS 24 - HA LYS 19 far 5 92 5 - 4.2-13.3 QB ALA 28 - HA LYS 19 far 4 85 5 - 4.2-16.4 HG3 LYS 31 - HA LYS 19 far 3 68 5 - 3.8-19.8 QB ALA 28 - HA LYS 26 far 0 84 0 - 4.5-7.6 QB ALA 21 - HA LYS 19 far 0 76 0 - 4.5-6.0 HG3 LYS 31 - HA LYS 26 far 0 67 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 87 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 58 0 - 4.9-11.6 QB ALA 29 - HA LYS 26 far 0 89 0 - 5.2-10.0 QB ALA 28 - HA LYS 31 far 0 70 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 75 0 - 5.8-7.6 HG3 LYS 26 - HA LYS 31 far 0 74 0 - 6.6-15.0 QB ALA 12 - HA LYS 19 far 0 100 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 77 0 - 6.9-20.8 HG2 LYS 24 - HA LYS 26 far 0 91 0 - 7.2-9.6 QB ALA 21 - HA LYS 31 far 0 61 0 - 7.3-20.0 QB ALA 29 - HA LYS 19 far 0 90 0 - 7.3-18.3 QB ALA 15 - HA LYS 31 far 0 72 0 - 7.8-21.9 HB2 LEU 42 - HA LYS 36 far 0 61 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 85 0 - 8.2-21.5 HG3 LYS 26 - HA LYS 19 far 0 89 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 75 0 - 8.4-12.7 HG2 LYS 19 - HA LYS 26 far 0 100 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 56 0 - 8.8-20.2 QB ALA 21 - HA LYS 26 far 0 75 0 - 9.0-12.4 HG2 LYS 19 - HA LYS 31 far 0 89 0 - 9.1-20.6 QB ALA 46 - HA LYS 36 far 0 46 0 - 9.4-14.3 QB ALA 28 - HA LYS 36 far 0 53 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 41 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 88 0 - 9.8-28.1 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 24 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 3.8-4.2 4.2=80, 6152/3.0=44...(40) HG2 LYS 26 + HA LYS 26 OK 95 95 100 100 3.4-4.2 4.0=87, 6252/2.9=61...(30) HG2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.2-4.2 3.8=100 HG3 LYS 36 + HA LYS 36 OK 46 46 100 100 3.5-3.8 4.1=82, ~6394=39...(27) HG13 ILE 32 - HA LYS 31 far 13 88 15 - 4.5-6.4 HG2 LYS 31 - HA LYS 19 far 5 100 5 - 3.6-20.1 QB ALA 34 - HA LYS 19 far 4 71 5 - 3.0-20.7 HG2 LYS 31 - HA LYS 26 far 0 100 0 - 5.2-13.1 HG13 ILE 32 - HA LYS 26 far 0 99 0 - 5.4-12.6 HG2 LYS 26 - HA LYS 31 far 0 83 0 - 5.5-15.2 HG3 LYS 24 - HA LYS 19 far 0 100 0 - 5.7-13.9 QB ALA 34 - HA LYS 36 far 0 43 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 69 0 - 6.5-18.5 HG3 LYS 24 - HA LYS 26 far 0 100 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 100 0 - 7.5-22.0 HG3 LYS 36 - HA LYS 31 far 0 61 0 - 7.6-11.7 HG3 LYS 24 - HA LYS 31 far 0 89 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 100 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 64 0 - 8.0-20.6 HG2 LYS 31 - HA LYS 36 far 0 70 0 - 8.1-14.6 HG13 ILE 32 - HA LYS 36 far 0 69 0 - 8.4-11.2 QB ALA 34 - HA LYS 31 far 0 57 0 - 8.5-9.9 HG2 LYS 26 - HA LYS 19 far 0 97 0 - 8.6-19.4 HG3 LYS 19 - HA LYS 31 far 0 89 0 - 9.3-20.3 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 39 assignments used, quality = 1.00: HD3 LYS 26 + HA LYS 26 OK 97 97 100 100 2.5-5.2 5.0=76, ~6253=40...(33) * HD2 LYS 19 + HA LYS 19 OK 90 100 90 100 3.6-5.5 5.2=68, 10696/11871=40...(42) HD3 LYS 19 + HA LYS 19 OK 90 100 90 100 3.9-5.5 5.2=68, 3.0/627=30...(41) HD2 LYS 26 + HA LYS 26 OK 86 95 90 100 3.8-5.5 5.0=76, ~6253=40...(33) HD3 LYS 31 + HA LYS 31 OK 83 83 100 100 2.0-4.8 5.2=66, ~6331=34...(34) HD2 LYS 31 + HA LYS 31 OK 81 81 100 100 2.0-4.9 5.2=66, ~6331=34...(34) HD3 LYS 36 + HA LYS 36 OK 50 50 100 100 4.1-5.2 5.3=64, ~6394=38...(30) HD2 LYS 36 + HA LYS 36 OK 50 50 100 100 4.2-5.0 5.3=64, ~6394=38...(30) HD3 LYS 26 - HA LYS 31 far 13 85 15 - 5.0-16.1 HD3 LYS 31 - HA LYS 19 far 5 97 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 96 5 - 3.8-21.0 HD2 LYS 26 - HA LYS 31 far 4 83 5 - 3.8-16.5 HG3 ARG 23 - HA LYS 19 far 4 76 5 - 4.6-13.3 HG3 ARG 23 - HA LYS 26 far 0 75 0 - 5.9-10.2 HD2 LYS 24 - HA LYS 19 far 0 96 0 - 6.1-16.0 HG3 ARG 23 - HA LYS 31 far 0 61 0 - 6.3-22.1 HD3 LYS 24 - HA LYS 19 far 0 97 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 89 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 95 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 66 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 94 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 95 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 63 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 89 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 66 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 64 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 64 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 97 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 81 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 66 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 94 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 81 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 98 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 35 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 83 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 81 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 69 0 - 9.8-13.7 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 39 assignments used, quality = 1.00: HD3 LYS 26 + HA LYS 26 OK 97 97 100 100 2.5-5.2 5.0=76, ~6253=40...(33) HD2 LYS 19 + HA LYS 19 OK 90 100 90 100 3.6-5.5 5.2=68, 10696/11871=40...(42) * HD3 LYS 19 + HA LYS 19 OK 90 100 90 100 3.9-5.5 5.2=68, 3.0/627=30...(41) HD2 LYS 26 + HA LYS 26 OK 86 95 90 100 3.8-5.5 5.0=76, ~6253=40...(33) HD3 LYS 31 + HA LYS 31 OK 83 83 100 100 2.0-4.8 5.2=66, ~6331=34...(34) HD2 LYS 31 + HA LYS 31 OK 81 81 100 100 2.0-4.9 5.2=66, ~6331=34...(34) HD3 LYS 36 + HA LYS 36 OK 50 50 100 100 4.1-5.2 5.3=64, ~6394=38...(30) HD2 LYS 36 + HA LYS 36 OK 50 50 100 100 4.2-5.0 5.3=64, ~6394=38...(30) HD3 LYS 26 - HA LYS 31 far 13 85 15 - 5.0-16.1 HD3 LYS 31 - HA LYS 19 far 5 97 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 96 5 - 3.8-21.0 HD2 LYS 26 - HA LYS 31 far 4 83 5 - 3.8-16.5 HG3 ARG 23 - HA LYS 19 far 4 76 5 - 4.6-13.3 HG3 ARG 23 - HA LYS 26 far 0 75 0 - 5.9-10.2 HD2 LYS 24 - HA LYS 19 far 0 96 0 - 6.1-16.0 HG3 ARG 23 - HA LYS 31 far 0 61 0 - 6.3-22.1 HD3 LYS 24 - HA LYS 19 far 0 97 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 89 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 95 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 66 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 94 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 95 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 63 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 89 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 66 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 64 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 64 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 97 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 81 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 66 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 94 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 81 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 98 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 35 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 83 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 81 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 69 0 - 9.8-13.7 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 20 assignments used, quality = 1.00: * H LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.7-3.1 6149=100, 6150/1.8=45...(36) H LYS 24 + HB2 LYS 24 OK 81 81 100 100 2.6-3.5 6220=74, 3.0/491=60...(23) H LYS 26 + HB2 LYS 26 OK 79 80 100 99 2.5-3.3 6250=72, 6251/1.8=58...(32) H LYS 26 - HB2 LYS 24 far 8 79 10 - 2.9-8.0 H ALA 28 - HB2 LYS 31 far 7 72 10 - 3.2-10.2 H GLY 17 - HB2 LYS 19 far 0 60 0 - 4.5-8.5 H ALA 28 - HB2 LYS 26 far 0 77 0 - 4.7-7.9 H LYS 26 - HB2 LYS 31 far 0 75 0 - 5.2-12.7 H LYS 24 - HB2 LYS 26 far 0 82 0 - 5.4-9.4 H LYS 24 - HB2 LYS 31 far 0 77 0 - 5.6-16.9 H ALA 28 - HB2 LYS 24 far 0 77 0 - 6.1-13.2 H LYS 24 - HB2 LYS 19 far 0 83 0 - 6.8-13.0 H GLU 44 - HB2 LYS 39 far 0 44 0 - 6.8-8.3 H ALA 28 - HB2 LYS 19 far 0 78 0 - 7.1-17.5 H LYS 19 - HB2 LYS 31 far 0 97 0 - 7.8-18.7 H LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-14.8 H GLY 14 - HB2 LYS 19 far 0 89 0 - 8.2-16.0 H GLY 17 - HB2 LYS 31 far 0 55 0 - 8.4-21.3 H TYR 72 - HB2 LYS 19 far 0 65 0 - 8.9-29.4 H LYS 26 - HB2 LYS 19 far 0 81 0 - 9.3-18.0 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 49 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 2.3-3.0 3.0=100 HA LYS 31 + HB2 LYS 31 OK 93 93 100 100 2.5-3.0 3.0=100 HA THR 25 - HB2 LYS 24 poor 18 72 25 - 4.0-5.6 HA LEU 22 - HB2 LYS 24 far 10 99 10 - 4.2-8.1 HA GLN 27 - HB2 LYS 26 far 8 75 10 - 3.9-5.9 HA LYS 26 - HB2 LYS 31 far 5 97 5 - 4.0-13.4 HA GLN 27 - HB2 LYS 31 far 4 70 5 - 4.2-11.7 HA THR 25 - HB2 LYS 26 far 0 73 0 - 4.5-6.1 HA ARG 23 - HB2 LYS 31 far 0 79 0 - 4.6-15.9 HA ARG 23 - HB2 LYS 26 far 0 84 0 - 4.7-9.7 HA ARG 23 - HB2 LYS 24 far 0 83 0 - 4.9-6.1 HA ALA 16 - HB2 LYS 19 far 0 98 0 - 5.1-9.5 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 5.2-14.4 HA THR 18 - HB2 LYS 19 far 0 71 0 - 5.3-6.2 HA LYS 31 - HB2 LYS 26 far 0 97 0 - 5.4-14.5 HA LYS 19 - HB2 LYS 31 far 0 97 0 - 5.5-17.5 HA LYS 26 - HB2 LYS 24 far 0 99 0 - 5.5-8.7 HA ALA 28 - HB2 LYS 24 far 0 58 0 - 5.6-13.0 HA GLN 27 - HB2 LYS 19 far 0 76 0 - 5.7-17.7 HA GLN 61 - HB2 LYS 24 far 0 92 0 - 5.8-38.1 HA ALA 28 - HB2 LYS 19 far 0 60 0 - 5.9-18.5 HA ALA 15 - HB2 LYS 19 far 0 87 0 - 5.9-12.4 HA ALA 28 - HB2 LYS 26 far 0 59 0 - 5.9-8.7 HA ALA 28 - HB2 LYS 31 far 0 55 0 - 6.0-11.1 HA THR 25 - HB2 LYS 31 far 0 68 0 - 6.5-14.5 HA LEU 22 - HB2 LYS 31 far 0 97 0 - 6.5-20.9 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 6.8-16.3 HA ARG 23 - HB2 LYS 19 far 0 85 0 - 6.9-11.3 HA ALA 16 - HB2 LYS 31 far 0 93 0 - 7.1-22.6 HA ALA 21 - HB2 LYS 19 far 0 76 0 - 7.4-8.7 HA ALA 12 - HB2 LYS 19 far 0 87 0 - 7.5-21.5 HA LYS 31 - HB2 LYS 24 far 0 96 0 - 7.7-19.5 HA GLN 27 - HB2 LYS 24 far 0 74 0 - 7.9-11.1 HA LYS 31 - HB2 LYS 19 far 0 97 0 - 8.0-20.2 HA THR 18 - HB2 LYS 31 far 0 65 0 - 8.0-21.4 HA THR 18 - HB2 LYS 24 far 0 69 0 - 8.2-14.2 HA ALA 21 - HB2 LYS 24 far 0 74 0 - 8.2-10.8 HA SER 74 - HB2 LYS 19 far 0 73 0 - 8.2-31.6 HA GLN 61 - HB2 LYS 26 far 0 92 0 - 8.3-37.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 8.4-17.8 HA ALA 15 - HB2 LYS 31 far 0 81 0 - 8.5-24.7 HA LYS 36 - HB2 LYS 31 far 0 94 0 - 8.7-13.3 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 8.7-14.1 HA LYS 36 - HB2 LYS 39 far 0 52 0 - 8.8-11.5 HA ALA 21 - HB2 LYS 31 far 0 70 0 - 9.1-21.0 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 9.3-11.5 HA ALA 21 - HB2 LYS 26 far 0 75 0 - 9.7-15.5 HA THR 25 - HB2 LYS 19 far 0 73 0 - 9.8-17.2 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 96 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 95 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 92 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 98 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 29 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 99 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 95 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 96 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 99 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 99 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.0-24.5 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 41 assignments used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.4-2.9 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 90 90 100 100 2.3-2.9 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 2.4-3.0 3.0=100 HG3 LYS 26 - HB2 LYS 24 far 4 87 5 - 3.5-10.3 QB ALA 15 - HB2 LYS 19 far 4 87 5 - 3.6-11.3 QB ALA 28 - HB2 LYS 19 far 4 85 5 - 3.2-16.4 QB ALA 28 - HB2 LYS 24 far 4 83 5 - 3.9-12.5 QB ALA 28 - HB2 LYS 31 far 4 79 5 - 4.2-8.2 HG3 LYS 31 - HB2 LYS 26 far 0 67 0 - 4.2-14.0 HB2 LEU 42 - HB2 LYS 39 far 0 46 0 - 4.9-6.2 QB ALA 12 - HB2 LYS 19 far 0 100 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 83 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 84 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 68 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 81 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 91 0 - 6.0-10.8 QB ALA 21 - HB2 LYS 19 far 0 76 0 - 6.1-6.7 QB ALA 29 - HB2 LYS 26 far 0 90 0 - 6.3-10.0 QB ALA 29 - HB2 LYS 31 far 0 85 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 86 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 92 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 89 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 90 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 67 0 - 6.9-19.1 QB ALA 21 - HB2 LYS 24 far 0 74 0 - 7.4-9.5 QB ALA 21 - HB2 LYS 31 far 0 70 0 - 7.6-18.2 HG2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.3-18.2 QB ALA 46 - HB2 LYS 39 far 0 35 0 - 8.6-9.4 HG2 LYS 36 - HB2 LYS 31 far 0 85 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 44 0 - 9.1-13.2 QB ALA 12 - HB2 LYS 31 far 0 96 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 89 0 - 9.4-18.8 QB ALA 21 - HB2 LYS 26 far 0 75 0 - 9.4-14.3 QB ALA 12 - HB2 LYS 26 far 0 99 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 86 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 85 0 - 9.6-19.3 QB ALA 110 - HB2 LYS 24 far 0 85 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 90 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 253 from cnoeabs.peaks (1.44, 1.75, 32.77 ppm; 3.47 A): 5 out of 27 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 26 96 35 78 3.8-6.2 6345/809=41...(11) HG2 LYS 31 - HB2 LYS 26 far 10 100 10 - 3.3-13.1 HG13 ILE 32 - HB2 LYS 26 far 5 99 5 - 4.2-12.5 HG2 LYS 26 - HB2 LYS 31 far 5 92 5 - 4.2-12.5 QB ALA 34 - HB2 LYS 19 far 4 71 5 - 2.9-20.2 QB ALA 34 - HB2 LYS 26 far 0 70 0 - 5.0-17.9 HG2 LYS 26 - HB2 LYS 24 far 0 95 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 100 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.8-19.4 QB ALA 34 - HB2 LYS 24 far 0 69 0 - 6.3-23.8 HG13 ILE 32 - HB2 LYS 19 far 0 100 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 70 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 97 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 75 0 - 8.4-20.7 QB ALA 34 - HB2 LYS 31 far 0 65 0 - 8.5-10.8 HG3 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.6-17.4 QB ALA 34 - HB2 LYS 39 far 0 32 0 - 8.7-13.1 HG3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 97 0 - 9.3-19.5 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 42 assignments used, quality = 1.00: * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 1.9-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 1.9-4.1 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 3.0-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.0-4.0 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 37 53 70 99 4.0-5.7 ~11901=44...(20) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 18 92 20 - 2.4-13.9 HD3 LYS 26 - HB2 LYS 31 far 14 93 15 - 2.6-13.4 HD3 LYS 26 - HB2 LYS 24 far 5 97 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 24 far 5 95 5 - 3.8-12.9 HG3 ARG 23 - HB2 LYS 31 far 4 70 5 - 3.9-19.2 HG3 ARG 23 - HB2 LYS 19 far 0 76 0 - 5.3-13.9 HD2 LYS 31 - HB2 LYS 26 far 0 95 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 96 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.6-14.8 HG3 ARG 23 - HB2 LYS 24 far 0 74 0 - 5.7-8.3 HG3 ARG 23 - HB2 LYS 26 far 0 75 0 - 5.8-11.9 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 94 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 95 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 75 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 95 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 80 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 90 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 96 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 81 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 80 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 81 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 75 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 92 0 - 9.1-20.0 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 42 assignments used, quality = 1.00: HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 1.9-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 1.9-4.1 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 3.0-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.0-4.0 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 37 53 70 99 4.0-5.7 ~11901=44...(20) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 18 92 20 - 2.4-13.9 HD3 LYS 26 - HB2 LYS 31 far 14 93 15 - 2.6-13.4 HD3 LYS 26 - HB2 LYS 24 far 5 97 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 24 far 5 95 5 - 3.8-12.9 HG3 ARG 23 - HB2 LYS 31 far 4 70 5 - 3.9-19.2 HG3 ARG 23 - HB2 LYS 19 far 0 76 0 - 5.3-13.9 HD2 LYS 31 - HB2 LYS 26 far 0 95 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 96 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.6-14.8 HG3 ARG 23 - HB2 LYS 24 far 0 74 0 - 5.7-8.3 HG3 ARG 23 - HB2 LYS 26 far 0 75 0 - 5.8-11.9 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 94 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 95 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 75 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 95 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 80 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 90 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 96 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 81 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 80 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 81 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 75 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 92 0 - 9.1-20.0 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 38 assignments used, quality = 1.00: * HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.0-4.4 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.8-5.4 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 95 95 100 100 1.9-4.8 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 93 93 100 100 3.1-5.4 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.4-4.8 4.9=100 HE3 LYS 26 - HB2 LYS 31 poor 19 93 20 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 19 far 15 99 15 - 6.6-21.4 HE2 LYS 31 - HB2 LYS 26 far 15 99 15 - 6.3-15.1 HE3 LYS 31 - HB2 LYS 26 far 15 97 15 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 19 far 10 100 10 - 5.7-16.4 HE3 LYS 24 - HB2 LYS 19 far 10 100 10 - 6.2-16.4 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 19 far 10 98 10 - 5.1-22.2 HE3 LYS 31 - HB2 LYS 24 far 10 97 10 - 5.0-19.9 HE3 LYS 26 - HB2 LYS 24 poor 8 97 25 31 3.2-10.9 9587/11151=26 HE3 LYS 24 - HB2 LYS 26 far 5 100 5 - 6.0-13.1 HE2 LYS 24 - HB2 LYS 26 far 5 100 5 - 7.5-13.7 HE2 LYS 26 - HB2 LYS 24 lone 5 97 30 17 3.9-12.6 9587/11151=12 HE2 LYS 19 - HB2 LYS 31 far 5 97 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 97 5 - 7.6-13.8 HE3 LYS 19 - HB2 LYS 31 far 5 95 5 - 5.1-19.0 HE2 LYS 26 - HB2 LYS 31 lone 3 93 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 44 0 - 9.8-11.7 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 37 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.1-4.6 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 97 97 100 100 1.9-4.8 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 97 97 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 3.1-5.4 4.8=100 HE3 LYS 26 - HB2 LYS 31 poor 19 97 20 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 19 far 15 100 15 - 6.6-21.4 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE3 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.8-14.2 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.1-22.2 HE3 LYS 24 - HB2 LYS 19 far 10 100 10 - 6.2-16.4 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-19.9 HE2 LYS 24 - HB2 LYS 19 far 10 98 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 poor 8 99 25 31 3.2-10.9 9587/11151=26 HE2 LYS 26 - HB2 LYS 24 lone 5 99 30 17 3.9-12.6 9587/11151=12 HE3 LYS 24 - HB2 LYS 26 far 5 100 5 - 6.0-13.1 HE2 LYS 24 - HB2 LYS 26 far 5 97 5 - 7.5-13.7 HE3 LYS 19 - HB2 LYS 31 far 5 97 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 95 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 95 5 - 7.6-13.8 HE2 LYS 26 - HB2 LYS 31 lone 3 97 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 99 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 93 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 99 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 36 0 - 9.8-11.7 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 8 assignments used, quality = 1.00: * H VAL 20 + HB2 LYS 19 OK 100 100 100 100 3.7-4.6 6161=100, 6162/1.8=90...(17) H VAL 20 - HB2 LYS 26 far 0 100 0 - 7.6-16.4 H TYR 76 - HB2 LYS 19 far 0 83 0 - 7.6-29.2 H VAL 20 - HB2 LYS 31 far 0 97 0 - 7.7-17.4 H VAL 20 - HB2 LYS 24 far 0 100 0 - 7.9-12.1 H CYS 79 - HB2 LYS 39 far 0 39 0 - 8.4-11.6 HD22 ASN 85 - HB2 LYS 39 far 0 40 0 - 8.7-12.3 H TYR 76 - HB2 LYS 39 far 0 39 0 - 9.3-11.8 Violated in 1 structures by 0.02 A. Peak 259 from cnoeabs.peaks (8.35, 1.81, 32.77 ppm; 3.43 A): 4 out of 24 assignments used, quality = 1.00: * H LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-4.0 6149/1.8=85, 3.9=66...(35) H LYS 24 + HB3 LYS 24 OK 82 82 100 100 2.1-3.7 3.0/482=65, 6220/1.8=60...(21) H LYS 26 + HB3 LYS 26 OK 73 74 100 99 3.6-3.7 6251=71, 6250/1.8=64...(31) H LYS 86 + HB2 LYS 86 OK 63 64 100 98 2.1-3.6 4.0=64, 7140/1.8=58...(15) H ALA 28 - HB3 LYS 26 poor 18 72 25 - 3.0-7.1 H LYS 26 - HB3 LYS 24 far 8 79 10 - 2.9-7.3 H ALA 28 - HB3 LYS 31 far 0 78 0 - 4.4-9.4 H GLY 17 - HB3 LYS 19 far 0 60 0 - 4.7-9.0 H LYS 24 - HB3 LYS 31 far 0 83 0 - 4.9-18.1 H LYS 24 - HB3 LYS 19 far 0 83 0 - 5.9-11.7 H LYS 24 - HB3 LYS 26 far 0 76 0 - 6.0-9.6 H LYS 26 - HB3 LYS 31 far 0 81 0 - 6.5-13.6 H ALA 28 - HB3 LYS 19 far 0 78 0 - 6.6-16.3 H ALA 28 - HB3 LYS 24 far 0 77 0 - 7.5-13.7 H LYS 19 - HB3 LYS 31 far 0 100 0 - 7.6-19.8 H GLY 17 - HB3 LYS 31 far 0 60 0 - 8.1-21.9 H LYS 19 - HB3 LYS 24 far 0 100 0 - 8.1-15.8 H LYS 26 - HB3 LYS 19 far 0 81 0 - 8.6-16.8 H TYR 72 - HB2 LYS 36 far 0 61 0 - 8.6-11.3 H GLY 14 - HB3 LYS 19 far 0 89 0 - 8.7-17.2 H TYR 72 - HB3 LYS 19 far 0 65 0 - 9.5-27.9 H TYR 72 - HB3 LYS 24 far 0 64 0 - 9.7-31.9 H GLU 44 - HB2 LYS 36 far 0 85 0 - 9.8-13.8 H LYS 26 - HB2 LYS 36 far 0 75 0 - 10.0-18.3 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 54 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 2.3-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.3-2.6 3.0=100 HA LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.7-3.0 3.0=100 HA PHE 87 + HB2 LYS 86 OK 46 68 70 95 3.8-5.5 2.9/7156=36, 2724/1.8=35...(17) HA GLN 27 - HB3 LYS 26 far 10 69 15 - 3.9-4.8 HA LEU 22 - HB3 LYS 24 far 5 100 5 - 3.4-7.5 HA ARG 23 - HB3 LYS 31 far 4 85 5 - 3.9-17.1 HA THR 25 - HB3 LYS 24 far 0 72 0 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 0 84 0 - 4.4-6.5 HA ARG 23 - HB3 LYS 26 far 0 78 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 92 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 98 0 - 4.9-10.4 HA ALA 28 - HB3 LYS 26 far 0 54 0 - 5.2-8.2 HA ARG 84 - HB2 LYS 86 far 0 52 0 - 5.2-6.7 HA ALA 28 - HB3 LYS 19 far 0 60 0 - 5.4-17.2 HA LYS 19 - HB3 LYS 24 far 0 100 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 100 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 100 0 - 5.5-22.2 HA ALA 28 - HB3 LYS 24 far 0 59 0 - 5.6-13.9 HA THR 25 - HB3 LYS 26 far 0 67 0 - 5.6-6.3 HA GLN 27 - HB3 LYS 31 far 0 76 0 - 5.7-10.9 HA LYS 19 - HB3 LYS 31 far 0 100 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 85 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 71 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 100 0 - 5.9-14.9 HA GLN 27 - HB3 LYS 19 far 0 76 0 - 6.0-16.8 HA GLN 61 - HB3 LYS 24 far 0 92 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 6.8-22.8 HA ALA 28 - HB3 LYS 31 far 0 60 0 - 6.8-10.4 HA ALA 21 - HB3 LYS 19 far 0 76 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 71 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 87 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 75 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 93 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 87 0 - 7.5-13.6 HA GLN 27 - HB3 LYS 24 far 0 75 0 - 7.7-11.4 HA ALA 21 - HB3 LYS 31 far 0 76 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 97 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 96 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 73 0 - 8.1-15.3 HA SER 74 - HB2 LYS 86 far 0 43 0 - 8.2-11.8 HA SER 74 - HB3 LYS 19 far 0 73 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 100 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 87 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 70 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 73 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 97 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 97 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 68 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 96 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 69 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 87 0 - 9.9-37.8 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 26 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 HB2 LYS 31 - HB3 LYS 26 far 5 94 5 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 3.4-9.6 HB ILE 80 - HB2 LYS 86 far 0 60 0 - 3.4-5.1 HG3 ARG 90 - HB2 LYS 86 far 0 53 0 - 4.3-7.2 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 100 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 100 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 95 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 96 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 100 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 99 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 95 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 98 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 97 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 97 0 - 9.0-24.5 HG13 ILE 129 - HB2 LYS 86 far 0 67 0 - 9.7-13.6 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 42 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 91 91 100 100 2.7-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.9-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 82 82 100 100 2.7-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.2-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 24 far 9 88 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 19 far 4 85 5 - 2.9-15.3 HG3 LYS 31 - HB3 LYS 26 far 3 62 5 - 3.9-13.1 QB ALA 28 - HB3 LYS 26 far 0 78 0 - 4.3-7.7 QB ALA 29 - HB2 LYS 36 far 0 85 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 85 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 84 0 - 4.8-13.1 QB ALA 15 - HB3 LYS 19 far 0 87 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 100 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 92 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 84 0 - 5.5-10.5 QB ALA 21 - HB3 LYS 19 far 0 76 0 - 5.8-6.7 HG3 LYS 26 - HB3 LYS 31 far 0 89 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 92 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 90 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 68 0 - 6.4-17.5 QB ALA 21 - HB3 LYS 31 far 0 76 0 - 6.7-19.0 QB ALA 15 - HB3 LYS 31 far 0 87 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 90 0 - 6.7-8.0 QB ALA 21 - HB3 LYS 24 far 0 75 0 - 7.1-9.7 QB ALA 29 - HB3 LYS 24 far 0 89 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 67 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 85 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 89 0 - 8.0-18.1 HG2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 63 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 83 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 80 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 100 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 79 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 86 0 - 9.4-43.9 QB ALA 21 - HB3 LYS 26 far 0 69 0 - 9.6-14.2 HB2 LEU 42 - HB2 LYS 36 far 0 88 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 99 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 90 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 264 from cnoeabs.peaks (1.44, 1.81, 32.77 ppm; 3.62 A): 6 out of 33 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-2.8 2.9=100 HG2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.2-2.6 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 71 71 100 100 2.6-2.8 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 45 45 100 100 2.5-2.9 3.0=100 HG13 ILE 32 - HB3 LYS 26 far 14 95 15 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 10 96 10 - 3.1-12.9 QB ALA 34 - HB3 LYS 19 far 4 71 5 - 2.0-20.6 HG2 LYS 26 - HB3 LYS 24 far 0 96 0 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 100 0 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 31 far 0 97 0 - 5.2-13.4 QB ALA 34 - HB3 LYS 26 far 0 64 0 - 5.4-16.7 HG13 ILE 32 - HB3 LYS 19 far 0 100 0 - 5.4-19.7 QB ALA 34 - HB2 LYS 36 far 0 66 0 - 5.5-6.5 HG2 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 96 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 97 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 96 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 92 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 100 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 70 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 100 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 76 0 - 8.7-13.8 QB ALA 34 - HB3 LYS 31 far 0 71 0 - 8.8-11.6 QB ALA 92 - HB2 LYS 86 far 0 59 0 - 8.9-9.9 HG3 LYS 36 - HB3 LYS 26 far 0 69 0 - 9.1-20.8 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 52 assignments used, quality = 1.00: HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.2 3.9=98, 6.2/6150=16...(79) * HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.9-3.9 3.9=98, 6.2/6150=16...(77) HD3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.0-4.2 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 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.3-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.2-3.5 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.6-3.7 3.5=100 HD3 LYS 26 - HB3 LYS 24 far 10 97 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 24 far 10 96 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 31 far 5 98 5 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 31 far 5 97 5 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 4.3-19.1 HG3 ARG 23 - HB3 LYS 19 far 4 76 5 - 3.6-12.6 HG3 ARG 23 - HB3 LYS 24 far 4 75 5 - 4.8-9.0 HD3 LYS 31 - HB3 LYS 26 far 0 91 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 90 0 - 5.2-13.2 HG3 ARG 23 - HB3 LYS 31 far 0 76 0 - 5.2-19.8 HG3 ARG 23 - HB3 LYS 26 far 0 69 0 - 5.4-12.7 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 61 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 91 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 92 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 94 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 92 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 61 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 96 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 95 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 97 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 74 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 97 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 91 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 81 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 81 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 81 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 90 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 74 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.8-19.8 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 52 assignments used, quality = 1.00: * HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.2 3.9=98, 6.2/6150=16...(79) HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.9-3.9 3.9=98, 6.2/6150=16...(77) HD3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.0-4.2 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 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.3-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.2-3.5 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.6-3.7 3.5=100 HD3 LYS 26 - HB3 LYS 24 far 10 97 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 24 far 10 96 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 31 far 5 98 5 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 31 far 5 97 5 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 4.3-19.1 HG3 ARG 23 - HB3 LYS 19 far 4 76 5 - 3.6-12.6 HG3 ARG 23 - HB3 LYS 24 far 4 75 5 - 4.8-9.0 HD3 LYS 31 - HB3 LYS 26 far 0 91 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 90 0 - 5.2-13.2 HG3 ARG 23 - HB3 LYS 31 far 0 76 0 - 5.2-19.8 HG3 ARG 23 - HB3 LYS 26 far 0 69 0 - 5.4-12.7 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 61 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 91 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 92 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 94 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 92 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 61 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 96 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 95 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 97 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 74 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 97 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 91 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 81 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 81 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 81 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 90 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 74 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.8-19.8 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 46 assignments used, quality = 1.00: * HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 99 99 100 100 2.4-4.7 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 97 97 100 100 3.2-4.6 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.0-4.4 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.5-5.4 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 69 69 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 20 98 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 15 99 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 15 97 15 - 2.2-9.7 HE3 LYS 24 - HB3 LYS 19 far 10 100 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 100 10 - 6.3-15.6 HE3 LYS 26 - HB3 LYS 31 far 10 98 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 98 10 - 6.0-15.4 HE3 LYS 31 - HB2 LYS 36 far 9 94 10 - 6.7-12.2 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.4-20.0 HE3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.4-20.0 HE3 LYS 24 - HB3 LYS 31 far 5 100 5 - 7.5-21.6 HE2 LYS 19 - HB3 LYS 24 far 5 100 5 - 7.3-17.6 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.0-21.5 HE2 LYS 26 - HB3 LYS 19 far 5 98 5 - 6.7-19.5 HE3 LYS 31 - HB3 LYS 24 far 5 97 5 - 5.6-21.1 HE3 LYS 24 - HB3 LYS 26 far 5 96 5 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 5 96 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 5 94 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 94 5 - 6.2-21.1 HE2 LYS 26 - HB3 LYS 24 lone 3 97 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 95 35 8 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 93 30 8 6.8-13.2 9008/10751=3, 10840/10898=2 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 98 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 85 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 50 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 95 0 - 10.0-19.9 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 46 assignments used, quality = 1.00: * HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 2.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.4 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.0-4.4 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.5-5.4 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 95 95 100 100 3.2-4.6 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 67 67 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 20 100 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 15 100 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 15 100 15 - 2.2-9.7 HE3 LYS 26 - HB3 LYS 31 far 10 100 10 - 4.8-15.1 HE3 LYS 24 - HB3 LYS 19 far 10 100 10 - 5.9-15.4 HE2 LYS 26 - HB3 LYS 31 far 10 100 10 - 6.0-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 98 10 - 6.3-15.6 HE3 LYS 31 - HB2 LYS 36 far 10 97 10 - 6.7-12.2 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.4-20.0 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.0-21.5 HE2 LYS 26 - HB3 LYS 19 far 5 100 5 - 6.7-19.5 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.6-21.1 HE3 LYS 24 - HB3 LYS 31 far 5 100 5 - 7.5-21.6 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.4-20.0 HE2 LYS 19 - HB3 LYS 24 far 5 99 5 - 7.3-17.6 HE2 LYS 31 - HB2 LYS 36 far 5 97 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 5 97 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 97 5 - 6.2-21.1 HE3 LYS 24 - HB3 LYS 26 far 5 96 5 - 7.0-14.0 HE2 LYS 26 - HB3 LYS 24 lone 3 100 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 96 35 8 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 96 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 73 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 93 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 97 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 95 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 39 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 94 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 10 assignments used, quality = 1.00: * H VAL 20 + HB3 LYS 19 OK 100 100 100 100 2.6-4.4 4.6=100 H VAL 20 - HB3 LYS 31 far 0 100 0 - 6.7-18.4 H CYS 79 - HB2 LYS 86 far 0 50 0 - 6.9-7.9 H TYR 76 - HB3 LYS 19 far 0 83 0 - 7.2-28.4 H VAL 20 - HB3 LYS 24 far 0 100 0 - 7.2-13.1 HD22 ASN 85 - HB2 LYS 86 far 0 52 0 - 7.6-9.7 H VAL 20 - HB3 LYS 26 far 0 96 0 - 8.3-16.4 H TYR 76 - HB2 LYS 86 far 0 50 0 - 9.1-10.5 H CYS 79 - HB3 LYS 19 far 0 83 0 - 9.4-32.8 H TYR 76 - HB2 LYS 36 far 0 77 0 - 9.5-12.0 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 17 assignments used, quality = 1.00: * H LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.9-3.0 6149/3.0=89, 4.9=77...(52) H LYS 24 + HG2 LYS 24 OK 57 57 100 100 1.8-3.5 3.0/483=77, 6223/1.8=71...(28) H LYS 26 + HG3 LYS 26 OK 48 48 100 100 1.8-2.5 4.9=75, 6252/1.8=68...(48) H GLY 17 - HG2 LYS 19 poor 15 60 45 57 2.1-6.5 4.4/10683=34...(5) H ALA 28 - HG3 LYS 26 poor 14 46 30 - 4.0-8.5 H LYS 26 - HG2 LYS 24 far 3 55 5 - 5.3-8.4 H LYS 24 - HG3 LYS 26 far 2 49 5 - 3.4-9.3 H LYS 19 - HG2 LYS 24 far 0 77 0 - 6.3-13.6 H TYR 72 - HG2 LYS 36 far 0 25 0 - 6.7-10.8 H LYS 24 - HG2 LYS 19 far 0 83 0 - 7.5-11.4 H GLU 44 - HG2 LYS 36 far 0 38 0 - 7.5-12.8 H GLY 14 - HG2 LYS 19 far 0 89 0 - 8.0-14.7 H ALA 28 - HG2 LYS 24 far 0 53 0 - 8.1-15.1 H ALA 28 - HG2 LYS 19 far 0 78 0 - 8.9-18.4 H LYS 26 - HG2 LYS 36 far 0 32 0 - 9.6-21.0 H GLY 17 - HG2 LYS 24 far 0 39 0 - 9.7-16.1 H LYS 26 - HG2 LYS 19 far 0 81 0 - 9.8-17.2 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 38 assignments used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 99 100 100 99 3.5-3.7 4.2=70, 3.0/6151=41...(39) HA LYS 26 + HG3 LYS 26 OK 67 68 100 100 2.5-3.8 4.0=76, 2.9/6253=49...(30) HA LYS 36 + HG2 LYS 36 OK 45 45 100 99 2.9-3.8 4.1=71, 3.0/6394=49...(29) HA THR 25 + HG3 LYS 26 OK 27 42 70 91 3.5-5.3 11150=50, 3.6/6253=42...(17) HA LEU 22 + HG2 LYS 24 OK 24 77 65 48 2.6-6.1 2.9/1309=15...(10) HA ALA 16 - HG2 LYS 19 poor 20 98 20 - 2.8-8.6 HA THR 18 - HG2 LYS 19 poor 18 71 25 - 3.3-5.3 HA ARG 23 - HG2 LYS 24 poor 14 59 40 60 3.7-6.5 3.6/6222=48, ~821=8...(7) HA ARG 23 - HG3 LYS 26 far 5 51 10 - 2.5-9.1 HA GLN 27 - HG3 LYS 26 far 4 44 10 - 4.5-6.6 HA LYS 19 - HG2 LYS 24 far 4 77 5 - 4.2-13.3 HA ALA 28 - HG3 LYS 26 far 2 34 5 - 4.2-8.9 HA THR 25 - HG2 LYS 24 far 0 49 0 - 4.6-6.6 HA ALA 21 - HG2 LYS 19 far 0 76 0 - 6.0-8.5 HA THR 18 - HG2 LYS 24 far 0 47 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 51 0 - 6.1-9.3 HA ALA 15 - HG2 LYS 19 far 0 87 0 - 6.3-11.0 HA LYS 31 - HG3 LYS 26 far 0 63 0 - 6.6-15.0 HA ALA 12 - HG2 LYS 19 far 0 87 0 - 6.7-20.0 HA LYS 31 - HG2 LYS 24 far 0 72 0 - 6.9-20.8 HA ALA 28 - HG2 LYS 24 far 0 39 0 - 7.0-14.6 HA ARG 23 - HG2 LYS 19 far 0 85 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 77 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 68 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 73 0 - 7.6-32.7 HA ALA 28 - HG2 LYS 19 far 0 60 0 - 7.7-18.4 HA GLN 61 - HG2 LYS 24 far 0 67 0 - 8.0-39.9 HA LYS 19 - HG3 LYS 26 far 0 68 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 100 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 44 0 - 8.4-12.7 HA GLN 27 - HG2 LYS 19 far 0 76 0 - 8.4-18.4 HA ALA 21 - HG3 LYS 26 far 0 44 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 100 0 - 8.6-16.3 HA GLN 27 - HG2 LYS 24 far 0 51 0 - 8.6-13.1 HA LYS 36 - HG3 LYS 26 far 0 65 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 58 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 97 0 - 9.1-20.6 HA THR 25 - HG2 LYS 36 far 0 29 0 - 9.9-21.7 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 19 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.3-2.9 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 68 68 100 100 2.5-3.0 3.0=100 HB2 ARG 23 - HG3 LYS 26 far 7 67 10 - 4.1-11.6 HB2 LYS 24 - HG3 LYS 26 far 3 67 5 - 3.5-10.3 HB2 ARG 23 - HG2 LYS 24 far 0 76 0 - 4.5-7.5 HB2 LYS 31 - HG3 LYS 26 far 0 65 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 100 0 - 5.5-9.9 HB2 LYS 26 - HG2 LYS 24 far 0 77 0 - 6.0-10.8 HB2 LYS 31 - HG2 LYS 24 far 0 74 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 77 0 - 6.4-14.1 HB2 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 46 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 99 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 43 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.4-18.8 HB2 LEU 43 - HG2 LYS 36 far 0 30 0 - 9.5-14.5 HB2 LYS 26 - HG2 LYS 36 far 0 48 0 - 9.9-20.9 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 2.7-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.7-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 65 65 100 100 2.7-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.9-3.0 3.0=100 HB3 LYS 24 - HG3 LYS 26 far 7 68 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 6 62 10 - 2.4-11.0 HB ILE 32 - HG3 LYS 26 far 0 66 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 77 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 71 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 68 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 77 0 - 6.3-12.8 HB3 ARG 23 - HG2 LYS 19 far 0 97 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 46 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 99 0 - 7.2-22.7 HB3 LYS 26 - HG2 LYS 24 far 0 74 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 100 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 68 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 67 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 75 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 25 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 48 0 - 9.9-14.8 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 24 assignments used, quality = 1.00: * HG3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 30 30 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 7 67 10 - 2.2-12.4 QB ALA 34 - HG3 LYS 26 far 0 41 0 - 4.1-17.6 QB ALA 34 - HG2 LYS 19 far 0 71 0 - 4.4-22.3 HG2 LYS 31 - HG3 LYS 26 far 0 68 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 68 0 - 5.2-11.1 QB ALA 34 - HG2 LYS 36 far 0 27 0 - 5.8-7.4 HG2 LYS 31 - HG2 LYS 24 far 0 77 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.4-19.9 QB ALA 34 - HG2 LYS 24 far 0 47 0 - 6.7-25.2 HG13 ILE 32 - HG2 LYS 19 far 0 100 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 71 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 47 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 44 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 47 0 - 7.6-15.4 HG3 LYS 19 - HG2 LYS 24 far 0 77 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.1-18.8 HG13 ILE 32 - HG2 LYS 24 far 0 76 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 68 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 43 0 - 9.0-22.2 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 36 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 2.4-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 2.4-2.9 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.4-3.0 3.0=100 HG3 ARG 23 - HG2 LYS 24 far 3 51 5 - 3.2-7.8 HG3 ARG 23 - HG3 LYS 26 far 2 44 5 - 3.5-12.6 HD2 LYS 26 - HG2 LYS 24 far 0 71 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 73 0 - 5.1-12.5 HG3 ARG 23 - HG2 LYS 19 far 0 76 0 - 5.1-11.6 HD3 LYS 31 - HG2 LYS 19 far 0 97 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 62 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 69 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 98 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 61 0 - 6.7-11.9 HD3 LYS 31 - HG3 LYS 26 far 0 62 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 43 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 96 0 - 7.3-20.7 HD2 LYS 31 - HG3 LYS 26 far 0 61 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 77 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 48 0 - 8.1-20.8 HD2 LYS 31 - HG2 LYS 36 far 0 42 0 - 8.3-15.6 HD3 LYS 31 - HG2 LYS 36 far 0 43 0 - 8.5-15.7 HD3 LYS 36 - HG3 LYS 26 far 0 48 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 96 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 46 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 22 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 97 0 - 9.9-15.7 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 36 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 2.4-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 2.4-2.9 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.4-3.0 3.0=100 HG3 ARG 23 - HG2 LYS 24 far 3 51 5 - 3.2-7.8 HG3 ARG 23 - HG3 LYS 26 far 2 44 5 - 3.5-12.6 HD2 LYS 26 - HG2 LYS 24 far 0 71 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 73 0 - 5.1-12.5 HG3 ARG 23 - HG2 LYS 19 far 0 76 0 - 5.1-11.6 HD3 LYS 31 - HG2 LYS 19 far 0 97 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 62 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 69 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 98 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 61 0 - 6.7-11.9 HD3 LYS 31 - HG3 LYS 26 far 0 62 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 43 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 96 0 - 7.3-20.7 HD2 LYS 31 - HG3 LYS 26 far 0 61 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 77 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 48 0 - 8.1-20.8 HD2 LYS 31 - HG2 LYS 36 far 0 42 0 - 8.3-15.6 HD3 LYS 31 - HG2 LYS 36 far 0 43 0 - 8.5-15.7 HD3 LYS 36 - HG3 LYS 26 far 0 48 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 96 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 46 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 22 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 97 0 - 9.9-15.7 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 32 assignments used, quality = 1.00: * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.7-4.1 3.8=100 HE3 LYS 19 + HG2 LYS 19 OK 99 99 100 100 2.2-4.2 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 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.0-4.1 3.6=100 HE2 LYS 36 + HG2 LYS 36 OK 48 48 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.2-4.0 4.0=100 HE2 LYS 31 - HG2 LYS 24 far 4 75 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 73 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 4 73 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 4 73 5 - 4.8-12.5 HE3 LYS 24 - HG3 LYS 26 far 3 67 5 - 4.3-13.1 HE2 LYS 31 - HG3 LYS 26 far 0 66 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 67 0 - 5.9-12.5 HE3 LYS 31 - HG3 LYS 26 far 0 64 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 38 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 98 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 98 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 44 0 - 7.1-23.8 HE2 LYS 26 - HG2 LYS 36 far 0 44 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 99 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 98 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 75 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 44 0 - 8.7-14.1 HE2 LYS 31 - HG2 LYS 36 far 0 46 0 - 8.8-13.8 HG CYS 73 - HG2 LYS 36 far 0 31 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 67 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 68 0 - 9.8-21.9 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 32 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 99 99 100 100 2.7-4.1 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 73 73 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 67 67 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 67 67 100 100 2.0-4.1 3.6=100 HE3 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.2-4.0 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 46 46 100 100 2.0-4.2 4.0=100 HE2 LYS 31 - HG2 LYS 24 far 4 77 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 77 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 4 77 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 4 77 5 - 4.8-12.5 HE3 LYS 24 - HG3 LYS 26 far 3 67 5 - 4.3-13.1 HE2 LYS 31 - HG3 LYS 26 far 0 68 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 64 0 - 5.9-12.5 HE3 LYS 31 - HG3 LYS 26 far 0 67 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 31 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 98 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 47 0 - 7.1-23.8 HE2 LYS 26 - HG2 LYS 36 far 0 47 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 77 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 47 0 - 8.7-14.1 HE2 LYS 31 - HG2 LYS 36 far 0 48 0 - 8.8-13.8 HG CYS 73 - HG2 LYS 36 far 0 24 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 67 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 75 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 65 0 - 9.8-21.9 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 21 assignments used, quality = 1.00: * H LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.7-4.0 6149/3.0=88, 4.9=72...(51) H LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.6-3.7 3.0/484=80, 6223=75...(30) H LYS 26 + HG2 LYS 26 OK 65 65 100 100 3.2-3.8 4.9=70, 6253/1.8=67...(52) H ALA 28 - HG2 LYS 26 poor 16 63 25 - 2.5-8.5 H GLY 17 - HG3 LYS 19 poor 12 60 20 - 2.9-8.0 H LYS 26 - HG3 LYS 24 far 4 80 5 - 5.0-8.8 H ALA 28 - HG2 LYS 31 far 4 74 5 - 5.2-10.6 H LYS 24 - HG2 LYS 26 far 3 67 5 - 4.2-10.5 H LYS 19 - HG2 LYS 31 far 0 98 0 - 5.4-21.3 H LYS 24 - HG2 LYS 31 far 0 78 0 - 5.7-19.5 H LYS 26 - HG2 LYS 31 far 0 76 0 - 6.1-14.5 H GLY 14 - HG3 LYS 19 far 0 89 0 - 7.0-15.8 H GLY 17 - HG2 LYS 31 far 0 56 0 - 7.0-23.1 H LYS 24 - HG3 LYS 19 far 0 83 0 - 7.2-11.9 H LYS 19 - HG3 LYS 24 far 0 100 0 - 7.8-14.3 H ALA 28 - HG3 LYS 19 far 0 78 0 - 8.0-18.4 H ALA 28 - HG3 LYS 24 far 0 78 0 - 8.1-15.7 H LYS 26 - HG3 LYS 19 far 0 81 0 - 9.3-17.2 H TYR 72 - HG3 LYS 19 far 0 65 0 - 9.3-29.0 H LYS 19 - HG2 LYS 26 far 0 88 0 - 9.7-19.7 H GLY 17 - HG2 LYS 26 far 0 47 0 - 9.7-23.3 Violated in 0 structures by 0.00 A. Peak 282 from cnoeabs.peaks (4.27, 1.44, 24.61 ppm; 3.96 A): 5 out of 49 assignments used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 100 100 100 100 3.8-4.2 4.2=86, 3.0/6152=46...(40) HA LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.2-4.2 3.8=100 HA LYS 26 + HG2 LYS 26 OK 88 88 100 100 3.4-4.2 4.0=93, 2.9/6252=62...(30) HA LEU 22 + HG3 LYS 24 OK 37 100 60 61 3.8-7.1 409/10712=14, ~1309=14...(13) HA GLN 27 + HG2 LYS 26 OK 20 60 35 96 3.9-6.9 ~6265=41, 3.0/6264=39...(24) HA ALA 16 - HG3 LYS 19 poor 20 98 20 - 2.8-10.1 HA ALA 28 - HG2 LYS 26 poor 9 47 20 - 3.5-9.6 HA LYS 19 - HG2 LYS 31 far 5 98 5 - 3.6-20.1 HA ARG 23 - HG2 LYS 31 far 4 80 5 - 4.5-18.5 HA THR 18 - HG3 LYS 19 far 4 71 5 - 4.2-6.9 HA ARG 23 - HG2 LYS 26 far 3 69 5 - 2.4-10.5 HA LEU 22 - HG2 LYS 31 far 0 98 0 - 5.0-23.5 HA ARG 23 - HG3 LYS 24 far 0 84 0 - 5.0-7.0 HA THR 25 - HG2 LYS 26 far 0 58 0 - 5.1-6.7 HA LYS 26 - HG2 LYS 31 far 0 98 0 - 5.2-13.1 HA ALA 16 - HG2 LYS 31 far 0 94 0 - 5.3-24.4 HA THR 18 - HG2 LYS 31 far 0 66 0 - 5.4-24.2 HA LYS 31 - HG2 LYS 26 far 0 83 0 - 5.5-15.2 HA LYS 19 - HG3 LYS 24 far 0 100 0 - 5.7-13.9 HA THR 25 - HG3 LYS 24 far 0 73 0 - 5.9-7.1 HA ALA 15 - HG3 LYS 19 far 0 87 0 - 6.2-12.6 HA GLN 27 - HG2 LYS 31 far 0 71 0 - 6.4-11.7 HA ALA 28 - HG3 LYS 24 far 0 60 0 - 6.5-15.3 HA THR 25 - HG2 LYS 31 far 0 69 0 - 6.5-16.4 HA SER 74 - HG3 LYS 19 far 0 73 0 - 6.7-32.9 HA ALA 15 - HG2 LYS 31 far 0 82 0 - 6.7-26.2 HA ALA 12 - HG3 LYS 19 far 0 87 0 - 6.8-21.3 HA ALA 21 - HG3 LYS 19 far 0 76 0 - 6.8-8.2 HA ALA 21 - HG2 LYS 31 far 0 71 0 - 6.8-23.7 HA THR 18 - HG3 LYS 24 far 0 70 0 - 6.9-13.6 HA ARG 23 - HG3 LYS 19 far 0 85 0 - 7.0-10.2 HA GLN 61 - HG3 LYS 24 far 0 93 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 100 0 - 7.1-9.9 HA LEU 22 - HG2 LYS 26 far 0 88 0 - 7.3-15.0 HA ALA 21 - HG3 LYS 24 far 0 75 0 - 7.4-9.5 HA ALA 28 - HG3 LYS 19 far 0 60 0 - 7.5-18.7 HA ALA 21 - HG2 LYS 26 far 0 60 0 - 7.6-16.6 HA LYS 31 - HG3 LYS 24 far 0 97 0 - 7.8-22.0 HA GLN 27 - HG3 LYS 19 far 0 76 0 - 7.8-18.4 HA LYS 26 - HG3 LYS 19 far 0 100 0 - 8.0-16.1 HA LYS 36 - HG2 LYS 26 far 0 85 0 - 8.0-20.6 HA ALA 28 - HG2 LYS 31 far 0 56 0 - 8.1-11.6 HA LYS 36 - HG2 LYS 31 far 0 95 0 - 8.1-14.6 HA LYS 19 - HG2 LYS 26 far 0 88 0 - 8.6-19.4 HA ALA 110 - HG3 LYS 24 far 0 88 0 - 9.0-50.5 HA LEU 22 - HG3 LYS 19 far 0 100 0 - 9.1-10.3 HA LYS 31 - HG3 LYS 19 far 0 97 0 - 9.3-20.3 HA GLN 27 - HG3 LYS 24 far 0 75 0 - 9.7-13.5 HA GLN 61 - HG2 LYS 26 far 0 77 0 - 9.8-39.3 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 20 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.3-3.0 3.0=100 HB2 LYS 26 - HG2 LYS 31 far 10 98 10 - 3.3-13.1 HB2 ARG 23 - HG2 LYS 26 far 9 87 10 - 3.3-12.5 HB2 LYS 31 - HG2 LYS 26 far 9 85 10 - 4.2-12.5 HB2 ARG 23 - HG2 LYS 31 far 0 97 0 - 5.0-19.9 HB2 LYS 24 - HG2 LYS 26 far 0 87 0 - 5.1-11.3 HB2 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 100 0 - 5.6-9.7 HB2 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.8-19.4 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 6.2-8.2 HB2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 100 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 99 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.7-18.0 HB2 LYS 31 - HG3 LYS 19 far 0 99 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 88 0 - 9.3-19.5 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 25 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-2.8 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 85 85 100 100 2.2-2.6 3.0=100 HB3 LYS 26 - HG2 LYS 31 far 10 96 10 - 3.1-12.9 HB ILE 32 - HG2 LYS 26 far 9 86 10 - 4.2-14.8 HB3 ARG 23 - HG2 LYS 26 far 8 82 10 - 2.9-12.1 HB3 ARG 23 - HG2 LYS 31 far 5 93 5 - 4.3-19.5 HB3 LYS 24 - HG2 LYS 26 far 0 88 0 - 4.7-10.8 HB3 LYS 31 - HG2 LYS 26 far 0 88 0 - 5.2-13.4 HB3 ARG 23 - HG3 LYS 24 far 0 96 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 99 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 96 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 97 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 100 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 99 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 87 0 - 7.1-19.6 HB3 LYS 24 - HG2 LYS 31 far 0 98 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 88 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.6-17.8 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 36 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 28 - HG2 LYS 26 far 7 69 10 - 3.2-8.8 QB ALA 29 - HG2 LYS 26 far 0 74 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 85 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 54 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 87 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 84 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 82 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 88 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 100 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 84 0 - 5.3-14.6 QB ALA 21 - HG3 LYS 19 far 0 76 0 - 5.3-6.8 QB ALA 21 - HG2 LYS 31 far 0 71 0 - 5.4-20.5 QB ALA 21 - HG3 LYS 24 far 0 75 0 - 6.0-8.5 HG2 LYS 24 - HG2 LYS 31 far 0 87 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 80 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 98 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 86 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 90 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 90 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 76 0 - 7.3-11.8 HG2 LYS 36 - HG2 LYS 31 far 0 86 0 - 7.6-15.4 HG3 LYS 31 - HG3 LYS 19 far 0 68 0 - 8.0-19.1 QB ALA 21 - HG2 LYS 26 far 0 60 0 - 8.0-14.9 HG2 LYS 24 - HG3 LYS 19 far 0 92 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 68 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 86 0 - 8.1-44.1 HG3 LYS 26 - HG3 LYS 19 far 0 89 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 74 0 - 9.0-22.2 QB ALA 12 - HG3 LYS 24 far 0 99 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 86 0 - 9.9-18.6 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 37 assignments used, quality = 1.00: * HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.3-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 26 - HG3 LYS 24 far 5 98 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 5 96 5 - 3.9-13.0 HD3 LYS 26 - HG2 LYS 31 far 5 94 5 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 5 93 5 - 4.4-16.1 HG3 ARG 23 - HG2 LYS 31 far 4 71 5 - 2.9-20.5 HG3 ARG 23 - HG2 LYS 26 far 3 60 5 - 3.3-13.9 HG3 ARG 23 - HG3 LYS 19 far 0 76 0 - 4.7-12.1 HG3 ARG 23 - HG3 LYS 24 far 0 75 0 - 4.9-9.1 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 80 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 65 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 98 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 96 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 92 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 65 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 95 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 80 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 76 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 96 0 - 9.9-15.8 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 37 assignments used, quality = 1.00: HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.3-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 26 - HG3 LYS 24 far 5 98 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 5 96 5 - 3.9-13.0 HD3 LYS 26 - HG2 LYS 31 far 5 94 5 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 5 93 5 - 4.4-16.1 HG3 ARG 23 - HG2 LYS 31 far 4 71 5 - 2.9-20.5 HG3 ARG 23 - HG2 LYS 26 far 3 60 5 - 3.3-13.9 HG3 ARG 23 - HG3 LYS 19 far 0 76 0 - 4.7-12.1 HG3 ARG 23 - HG3 LYS 24 far 0 75 0 - 4.9-9.1 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 80 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 65 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 98 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 96 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 92 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 65 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 95 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 80 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 76 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 96 0 - 9.9-15.8 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 34 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.1-4.0 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 2.3-4.2 3.6=100 HE2 LYS 31 - HG3 LYS 24 far 5 99 5 - 5.6-22.4 HE2 LYS 26 - HG3 LYS 24 far 5 98 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 5 98 5 - 4.4-11.8 HE3 LYS 26 - HG2 LYS 31 far 5 94 5 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 26 far 0 87 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 98 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 94 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 86 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 96 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 99 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 87 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 84 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 98 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 98 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 87 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 88 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 88 0 - 9.8-20.6 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 34 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 2.0-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 99 99 100 100 2.2-4.2 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 2.1-4.0 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 2.3-4.2 3.6=100 HE2 LYS 26 - HG3 LYS 24 far 5 100 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 5 100 5 - 4.4-11.8 HE2 LYS 31 - HG3 LYS 24 far 5 100 5 - 5.6-22.4 HE3 LYS 26 - HG2 LYS 31 far 5 97 5 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 26 far 0 87 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 100 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 97 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 88 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 94 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 98 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 84 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 87 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 96 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 96 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 98 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 87 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 99 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 85 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 86 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 292 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 6.80 A): 10 out of 42 assignments used, quality = 1.00: * H LYS 19 + HD2 LYS 19 OK 100 100 100 100 1.9-4.9 6.2=100 H LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-5.4 6.2=100 H LYS 26 + HD3 LYS 26 OK 71 71 100 100 2.6-4.6 5.7=100 H LYS 24 + HD3 LYS 24 OK 68 68 100 100 1.9-5.0 5.9=100 H LYS 26 + HD2 LYS 26 OK 66 66 100 100 1.8-4.9 5.7=100 H LYS 24 + HD2 LYS 24 OK 66 66 100 100 2.5-5.5 5.9=100 H ALA 28 + HD2 LYS 26 OK 32 64 55 92 3.6-10.0 10769/3.5=66...(8) H ALA 28 + HD3 LYS 26 OK 25 69 40 92 4.3-9.0 10769/3.5=66...(11) H GLY 17 + HD3 LYS 19 OK 22 60 90 40 1.9-8.4 ~10679=25, ~10667=11, 270/3.0=7 H GLY 17 + HD2 LYS 19 OK 22 60 90 40 2.7-8.2 ~10679=25, ~10667=11, 270/3.0=7 H ALA 28 - HD2 LYS 31 poor 15 62 25 - 6.1-10.9 H LYS 24 - HD2 LYS 26 poor 14 68 20 - 3.0-11.9 H LYS 26 - HD3 LYS 24 poor 13 66 35 58 5.4-9.8 4.6/544=40, 3.6/11832=28 H GLY 14 - HD3 LYS 19 far 13 89 15 - 5.9-15.0 H ALA 28 - HD3 LYS 31 poor 13 64 20 - 6.0-10.4 H LYS 24 - HD3 LYS 26 far 11 73 15 - 4.3-11.4 H LYS 26 - HD2 LYS 24 far 10 64 15 - 6.4-10.1 H GLY 14 - HD2 LYS 19 far 9 89 10 - 7.1-14.6 H LYS 19 - HD3 LYS 31 far 4 90 5 - 4.6-21.9 H LYS 19 - HD2 LYS 31 far 4 87 5 - 6.2-22.2 H ALA 28 - HD2 LYS 19 far 4 78 5 - 7.3-19.3 H LYS 24 - HD3 LYS 31 far 3 68 5 - 6.3-19.9 H LYS 24 - HD2 LYS 31 far 3 66 5 - 6.9-19.7 H GLY 17 - HD2 LYS 31 far 2 46 5 - 7.4-24.1 H LYS 19 - HD2 LYS 24 far 0 87 0 - 7.7-16.5 H LYS 19 - HD2 LYS 26 far 0 90 0 - 8.0-21.5 H ALA 28 - HD3 LYS 19 far 0 78 0 - 8.0-20.1 H LYS 19 - HD3 LYS 26 far 0 94 0 - 8.2-21.4 H LYS 26 - HD3 LYS 31 far 0 66 0 - 8.3-16.4 H LYS 26 - HD2 LYS 31 far 0 64 0 - 8.3-16.6 H TYR 72 - HD3 LYS 19 far 0 65 0 - 8.5-31.0 H TYR 72 - HD2 LYS 19 far 0 65 0 - 8.5-31.2 H LYS 24 - HD2 LYS 19 far 0 83 0 - 8.5-13.9 H LYS 19 - HD3 LYS 24 far 0 90 0 - 8.6-16.1 H ALA 28 - HD3 LYS 24 far 0 64 0 - 8.7-14.8 H GLY 17 - HD3 LYS 31 far 0 48 0 - 9.0-23.7 H GLY 14 - HD3 LYS 31 far 0 74 0 - 9.1-29.9 H GLY 17 - HD2 LYS 26 far 0 48 0 - 9.2-24.8 H GLY 17 - HD3 LYS 26 far 0 52 0 - 9.2-24.9 H LYS 24 - HD3 LYS 19 far 0 83 0 - 9.5-13.6 H ALA 28 - HD2 LYS 24 far 0 62 0 - 9.6-16.1 H GLY 14 - HD2 LYS 31 far 0 71 0 - 9.7-29.0 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 100 assignments used, quality = 1.00: HA LYS 26 + HD3 LYS 26 OK 93 94 100 100 2.5-5.2 5.0=69, ~6253=37...(33) HA LYS 19 + HD3 LYS 19 OK 89 100 90 99 3.9-5.5 5.2=62, 627/3.0=28...(41) * HA LYS 19 + HD2 LYS 19 OK 85 100 85 99 3.6-5.5 5.2=62, 11871/10696=38...(42) HA LYS 31 + HD3 LYS 31 OK 84 84 100 100 2.0-4.8 5.2=60, ~6331=31...(34) HA LYS 31 + HD2 LYS 31 OK 81 82 100 100 2.0-4.9 5.2=60, ~6331=31...(34) HA LYS 26 + HD2 LYS 26 OK 58 89 65 100 3.8-5.5 5.0=69, ~6253=37...(32) HA LEU 22 + HD2 LYS 24 OK 29 87 55 60 2.0-8.9 401/10812=18, ~1309=13...(13) HA LEU 22 + HD3 LYS 24 OK 22 89 45 54 1.9-8.8 ~1309=13, 11967/3.0=10...(12) HA THR 25 - HD3 LYS 26 poor 19 64 30 - 4.3-7.0 HA THR 25 - HD2 LYS 26 poor 15 60 25 - 3.0-7.4 HA ALA 15 - HD3 LYS 19 far 13 87 15 - 4.8-12.5 HA ARG 23 - HD3 LYS 24 far 11 70 15 - 3.7-7.9 HA LYS 31 - HD3 LYS 26 far 9 89 10 - 5.0-16.1 HA ALA 15 - HD2 LYS 19 far 9 87 10 - 4.4-12.5 HA THR 18 - HD3 LYS 19 far 7 71 10 - 5.1-7.8 HA THR 18 - HD2 LYS 19 far 7 71 10 - 5.2-7.4 HA ARG 23 - HD2 LYS 24 far 7 68 10 - 4.8-8.7 HA THR 25 - HD3 LYS 24 far 6 60 10 - 3.4-7.5 HA ALA 28 - HD2 LYS 26 far 5 48 10 - 3.8-10.7 HA LYS 19 - HD3 LYS 31 far 4 90 5 - 2.1-21.0 HA LEU 22 - HD3 LYS 31 far 4 89 5 - 5.1-21.9 HA LYS 19 - HD2 LYS 31 far 4 87 5 - 3.8-21.0 HA LYS 31 - HD2 LYS 26 far 4 84 5 - 3.8-16.5 HA ARG 23 - HD3 LYS 26 far 4 75 5 - 3.6-11.3 HA ARG 23 - HD2 LYS 26 far 4 70 5 - 2.1-11.5 HA GLN 27 - HD2 LYS 26 far 3 62 5 - 3.8-7.8 HA GLN 27 - HD3 LYS 31 far 3 62 5 - 4.6-13.2 HA ALA 21 - HD2 LYS 24 far 3 59 5 - 5.0-11.7 HA THR 25 - HD2 LYS 24 far 3 57 5 - 5.2-8.2 HA ALA 28 - HD3 LYS 26 far 3 52 5 - 4.4-10.1 HA ALA 16 - HD3 LYS 19 lone 2 98 35 5 2.1-10.6 7131/6.2=1, 3.6/303=1 HA ALA 16 - HD2 LYS 19 lone 2 98 30 5 3.4-10.2 7131/6.2=1 HA GLN 27 - HD2 LYS 31 far 0 59 0 - 5.4-13.0 HA GLN 27 - HD3 LYS 26 far 0 66 0 - 5.5-7.8 HA SER 74 - HD3 LYS 19 far 0 73 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 83 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 70 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 62 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 87 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 70 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 57 0 - 6.1-23.4 HA ALA 28 - HD3 LYS 24 far 0 48 0 - 6.2-15.8 HA ALA 21 - HD2 LYS 26 far 0 62 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 90 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 68 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 87 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 55 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 97 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 87 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 57 0 - 6.8-18.4 HA ALA 28 - HD2 LYS 19 far 0 60 0 - 6.9-20.2 HA LYS 26 - HD3 LYS 31 far 0 89 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 73 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 94 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 79 0 - 7.0-40.9 HA LYS 26 - HD2 LYS 31 far 0 87 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 89 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 85 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 55 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 87 0 - 7.5-20.7 HA GLN 27 - HD2 LYS 19 far 0 76 0 - 7.5-19.3 HA LYS 36 - HD2 LYS 31 far 0 83 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 76 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 97 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 60 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 7.7-10.6 HA GLN 27 - HD3 LYS 19 far 0 76 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 48 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 91 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 66 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 46 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 60 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 57 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 86 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 46 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 62 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 86 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 79 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 84 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 90 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 82 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 57 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 62 0 - 8.8-12.8 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 8.9-11.0 HA LYS 19 - HD3 LYS 26 far 0 94 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 76 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 71 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 59 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 77 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 84 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 77 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 62 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 59 0 - 9.6-22.3 HA LEU 22 - HD2 LYS 19 far 0 100 0 - 9.9-12.2 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 38 assignments used, quality = 1.00: * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HB2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 1.9-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.0-4.0 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 1.9-4.1 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.0-4.0 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 3.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.1-4.2 3.5=100 HB2 ARG 23 + HD3 LYS 24 OK 34 88 50 78 4.6-9.3 ~1018=12, ~833=10...(33) HB2 ARG 23 + HD2 LYS 24 OK 34 86 50 79 5.4-10.0 ~1018=12, ~833=10...(36) HB2 LYS 26 - HD3 LYS 31 poor 18 90 20 - 5.6-14.8 HB2 LYS 26 - HD2 LYS 31 poor 17 87 20 - 5.5-14.9 HB2 ARG 23 - HD3 LYS 19 far 15 100 15 - 7.0-11.4 HB2 ARG 23 - HD3 LYS 31 far 13 88 15 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 13 86 15 - 6.6-19.6 HB2 LYS 24 - HD2 LYS 26 poor 11 89 30 39 3.8-12.9 10693/10692=17...(3) HB2 ARG 23 - HD2 LYS 19 far 10 100 10 - 7.7-11.6 HB2 LYS 24 - HD3 LYS 26 far 9 94 10 - 3.3-12.3 HB2 ARG 23 - HD3 LYS 26 far 9 93 10 - 5.5-13.8 HB2 ARG 23 - HD2 LYS 26 far 9 88 10 - 4.1-14.0 HB2 LYS 31 - HD3 LYS 26 lone 5 92 35 16 2.6-13.4 809/6348=8 HB2 LYS 31 - HD2 LYS 19 far 5 99 5 - 6.6-17.8 HB2 LYS 31 - HD3 LYS 19 far 5 99 5 - 7.3-19.0 HB2 LYS 31 - HD2 LYS 26 lone 5 87 30 18 2.4-13.9 809/6348=10, 6331/6336=3 HB2 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 24 far 4 90 5 - 7.0-11.8 HB2 LYS 24 - HD3 LYS 31 far 4 89 5 - 7.4-20.6 HB2 LYS 19 - HD2 LYS 31 far 4 87 5 - 5.5-20.9 HB2 LYS 26 - HD2 LYS 24 far 4 87 5 - 7.5-12.4 HB2 LYS 24 - HD2 LYS 31 far 4 86 5 - 7.3-20.7 HB2 LYS 31 - HD2 LYS 24 far 0 84 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.2-17.0 HB2 LYS 19 - HD3 LYS 26 far 0 94 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 90 0 - 8.6-16.5 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.0-16.3 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 295 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 4.08 A): 8 out of 51 assignments used, quality = 1.00: HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-4.2 3.9=100 * HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-3.9 3.9=100 HB3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.0-4.2 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 2.3-4.0 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.3-4.2 3.5=100 HB ILE 32 - HD2 LYS 26 far 13 88 15 - 4.4-15.8 HB3 LYS 24 - HD3 LYS 26 far 9 94 10 - 2.8-11.2 HB3 LYS 24 - HD2 LYS 26 far 9 89 10 - 2.5-11.6 HB ILE 32 - HD3 LYS 31 far 9 88 10 - 4.6-9.2 HB ILE 32 - HD2 LYS 31 far 8 85 10 - 4.9-9.0 HB3 ARG 23 - HD2 LYS 26 far 8 83 10 - 4.3-13.4 HB3 LYS 31 - HD3 LYS 26 far 5 94 5 - 3.8-14.8 HB ILE 32 - HD3 LYS 26 far 5 92 5 - 4.8-14.9 HB3 LYS 31 - HD2 LYS 26 far 4 90 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.3-19.1 HB3 ARG 23 - HD3 LYS 26 far 4 88 5 - 4.9-13.2 HB3 LYS 26 - HD3 LYS 31 far 0 87 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 84 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 83 0 - 5.3-8.7 HB3 LYS 31 - HD2 LYS 19 far 0 100 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 80 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 86 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 80 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 88 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 93 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 88 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 87 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 90 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.1-12.3 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 90 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 88 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 87 0 - 8.4-12.6 HB ILE 32 - HD3 LYS 19 far 0 99 0 - 8.6-24.3 HB3 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.8-17.3 HB3 LYS 26 - HD2 LYS 24 far 0 84 0 - 8.9-13.1 HB ILE 32 - HD2 LYS 19 far 0 99 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.5-17.0 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.8-19.8 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 74 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 2.4-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.4-2.9 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 15 - HD2 LYS 19 poor 17 87 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 13 87 15 - 3.1-10.4 QB ALA 28 - HD2 LYS 19 far 4 85 5 - 3.8-16.2 QB ALA 29 - HD3 LYS 26 far 4 81 5 - 4.6-11.8 QB ALA 29 - HD2 LYS 26 far 4 76 5 - 4.1-12.5 QB ALA 15 - HD2 LYS 31 far 3 70 5 - 3.7-21.3 HG3 LYS 31 - HD3 LYS 26 far 3 59 5 - 4.1-16.0 QB ALA 28 - HD2 LYS 26 far 0 70 0 - 4.6-9.5 QB ALA 28 - HD3 LYS 19 far 0 85 0 - 4.7-17.0 HG3 LYS 31 - HD2 LYS 26 far 0 55 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 78 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 72 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 75 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 82 0 - 5.1-12.5 QB ALA 28 - HD3 LYS 31 far 0 70 0 - 5.4-10.1 QB ALA 21 - HD2 LYS 24 far 0 59 0 - 5.4-10.5 QB ALA 21 - HD3 LYS 19 far 0 76 0 - 5.5-8.6 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.6-20.4 QB ALA 21 - HD2 LYS 19 far 0 76 0 - 5.6-8.3 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 73 0 - 5.8-10.1 QB ALA 21 - HD3 LYS 24 far 0 62 0 - 5.9-10.6 QB ALA 12 - HD3 LYS 19 far 0 100 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 68 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 100 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 74 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 75 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 70 0 - 6.3-14.0 QB ALA 21 - HD3 LYS 31 far 0 62 0 - 6.4-19.1 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 76 0 - 6.5-9.7 QB ALA 28 - HD2 LYS 24 far 0 68 0 - 6.6-15.0 QB ALA 21 - HD2 LYS 26 far 0 62 0 - 6.6-15.8 HG3 LYS 26 - HD2 LYS 24 far 0 71 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 76 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 68 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 74 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 76 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 55 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 71 0 - 7.5-14.9 QB ALA 21 - HD2 LYS 31 far 0 59 0 - 7.5-19.4 QB ALA 29 - HD2 LYS 19 far 0 90 0 - 7.6-18.2 QB ALA 21 - HD3 LYS 26 far 0 66 0 - 7.8-16.0 QB ALA 110 - HD2 LYS 24 far 0 70 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 92 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 73 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 81 0 - 8.0-23.3 HG3 LYS 31 - HD3 LYS 19 far 0 68 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 73 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 88 0 - 8.3-29.9 HG2 LYS 36 - HD3 LYS 31 far 0 76 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 90 0 - 8.5-19.2 QB ALA 12 - HD3 LYS 26 far 0 93 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 53 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 72 0 - 8.8-42.3 QB ALA 15 - HD2 LYS 24 far 0 70 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 86 0 - 9.1-29.1 HG2 LYS 19 - HD2 LYS 24 far 0 87 0 - 9.2-16.0 HG2 LYS 24 - HD3 LYS 19 far 0 92 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 88 0 - 9.4-31.2 HG3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.5-20.4 QB ALA 15 - HD3 LYS 26 far 0 77 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.9-15.7 QB ALA 15 - HD3 LYS 24 far 0 72 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 297 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 3.33 A): 8 out of 49 assignments used, quality = 1.00: * HG3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.6-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 88 88 100 100 2.3-2.9 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HG13 ILE 32 - HD3 LYS 31 far 13 88 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 31 far 13 86 15 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 far 9 88 10 - 3.0-13.6 QB ALA 34 - HD3 LYS 26 far 6 62 10 - 2.0-17.7 QB ALA 34 - HD2 LYS 26 far 6 57 10 - 3.3-18.8 HG3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-12.6 HG2 LYS 31 - HD3 LYS 26 far 5 94 5 - 3.8-15.2 HG13 ILE 32 - HD3 LYS 26 far 5 93 5 - 3.5-12.7 HG3 LYS 24 - HD2 LYS 26 far 4 89 5 - 3.9-13.0 HG2 LYS 31 - HD2 LYS 26 far 0 89 0 - 4.4-16.1 QB ALA 34 - HD2 LYS 19 far 0 71 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 57 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 71 0 - 5.2-22.3 HG2 LYS 26 - HD3 LYS 31 far 0 83 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 5.5-23.5 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 66 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 6.9-11.8 HG2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.9-20.3 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 7.0-14.5 HG3 LYS 36 - HD3 LYS 31 far 0 62 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 83 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.5-22.6 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 87 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 80 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 89 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 88 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.3-20.6 HG13 ILE 32 - HD2 LYS 19 far 0 100 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 100 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 97 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 86 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 87 0 - 9.9-15.8 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 68 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 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 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.3-3.0 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 24 - HD3 LYS 26 far 5 94 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 94 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 85 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 85 0 - 5.1-11.5 HE2 LYS 31 - HD3 LYS 24 far 0 88 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 86 0 - 5.5-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 85 0 - 5.6-12.9 HE2 LYS 26 - HD2 LYS 24 far 0 83 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 83 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 89 0 - 5.9-24.7 HE3 LYS 26 - HD2 LYS 31 far 0 83 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 89 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 92 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 83 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 85 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 88 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 85 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 85 0 - 6.5-22.5 HE3 LYS 31 - HD3 LYS 26 far 0 90 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 6.9-18.7 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.5-22.4 HE3 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 83 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 85 0 - 7.8-17.1 HE2 LYS 19 - HD3 LYS 26 far 0 94 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 87 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 99 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 92 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 98 0 - 8.5-22.4 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 94 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.7-22.4 HE3 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 99 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 89 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.1-23.7 HE2 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.6-17.8 HE3 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.9-20.9 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 68 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 83 83 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 90 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 89 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.1-11.5 HE2 LYS 31 - HD3 LYS 24 far 0 90 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 83 0 - 5.5-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.6-12.9 HE2 LYS 26 - HD2 LYS 24 far 0 86 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 85 0 - 5.9-24.7 HE3 LYS 26 - HD2 LYS 31 far 0 86 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 85 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 89 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 86 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 89 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 90 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 89 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.5-22.5 HE3 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 98 0 - 6.9-18.7 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.5-22.4 HE3 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 86 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 89 0 - 7.8-17.1 HE2 LYS 19 - HD3 LYS 26 far 0 92 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 84 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 94 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 8.5-22.4 HE2 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 87 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 92 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.7-22.4 HE3 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 87 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.1-23.7 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 88 0 - 9.6-17.8 HE3 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 303 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 5.91 A): 6 out of 42 assignments used, quality = 1.00: H LYS 19 + HD2 LYS 19 OK 100 100 100 100 1.9-4.9 6149/3.9=98...(73) * H LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-5.4 6149/3.9=98, 6.2=86...(75) H LYS 26 + HD3 LYS 26 OK 71 71 100 100 2.6-4.6 5.7=100 H LYS 24 + HD3 LYS 24 OK 68 68 100 100 1.9-5.0 5.9=100 H LYS 26 + HD2 LYS 26 OK 66 66 100 100 1.8-4.9 5.7=100 H LYS 24 + HD2 LYS 24 OK 65 66 100 100 2.5-5.5 5.9=100 H ALA 28 - HD2 LYS 26 poor 19 64 30 - 3.6-10.0 H ALA 28 - HD3 LYS 26 poor 18 69 30 88 4.3-9.0 10769/3.5=59...(6) H GLY 17 - HD3 LYS 19 poor 15 60 75 34 1.9-8.4 ~10679=20, ~10667=9, 270/3.0=7 H GLY 17 - HD2 LYS 19 poor 14 60 70 34 2.7-8.2 ~10679=20, ~10667=9, 270/3.0=7 H LYS 26 - HD3 LYS 24 poor 13 66 20 - 5.4-9.8 H ALA 28 - HD3 LYS 31 far 10 64 15 - 6.0-10.4 H GLY 14 - HD3 LYS 19 far 9 89 10 - 5.9-15.0 H LYS 24 - HD3 LYS 26 far 7 73 10 - 4.3-11.4 H LYS 24 - HD2 LYS 26 far 7 68 10 - 3.0-11.9 H LYS 19 - HD3 LYS 31 far 4 90 5 - 4.6-21.9 H LYS 19 - HD2 LYS 31 far 4 87 5 - 6.2-22.2 H LYS 24 - HD3 LYS 31 far 3 68 5 - 6.3-19.9 H LYS 26 - HD2 LYS 24 far 3 64 5 - 6.4-10.1 H ALA 28 - HD2 LYS 31 far 3 62 5 - 6.1-10.9 H LYS 24 - HD2 LYS 31 far 0 66 0 - 6.9-19.7 H GLY 14 - HD2 LYS 19 far 0 89 0 - 7.1-14.6 H ALA 28 - HD2 LYS 19 far 0 78 0 - 7.3-19.3 H GLY 17 - HD2 LYS 31 far 0 46 0 - 7.4-24.1 H LYS 19 - HD2 LYS 24 far 0 87 0 - 7.7-16.5 H LYS 19 - HD2 LYS 26 far 0 90 0 - 8.0-21.5 H ALA 28 - HD3 LYS 19 far 0 78 0 - 8.0-20.1 H LYS 19 - HD3 LYS 26 far 0 94 0 - 8.2-21.4 H LYS 26 - HD3 LYS 31 far 0 66 0 - 8.3-16.4 H LYS 26 - HD2 LYS 31 far 0 64 0 - 8.3-16.6 H TYR 72 - HD3 LYS 19 far 0 65 0 - 8.5-31.0 H TYR 72 - HD2 LYS 19 far 0 65 0 - 8.5-31.2 H LYS 24 - HD2 LYS 19 far 0 83 0 - 8.5-13.9 H LYS 19 - HD3 LYS 24 far 0 90 0 - 8.6-16.1 H ALA 28 - HD3 LYS 24 far 0 64 0 - 8.7-14.8 H GLY 17 - HD3 LYS 31 far 0 48 0 - 9.0-23.7 H GLY 14 - HD3 LYS 31 far 0 74 0 - 9.1-29.9 H GLY 17 - HD2 LYS 26 far 0 48 0 - 9.2-24.8 H GLY 17 - HD3 LYS 26 far 0 52 0 - 9.2-24.9 H LYS 24 - HD3 LYS 19 far 0 83 0 - 9.5-13.6 H ALA 28 - HD2 LYS 24 far 0 62 0 - 9.6-16.1 H GLY 14 - HD2 LYS 31 far 0 71 0 - 9.7-29.0 Violated in 0 structures by 0.00 A. Peak 304 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 4.19 A): 7 out of 100 assignments used, quality = 1.00: HA LYS 19 + HD2 LYS 19 OK 84 100 85 99 3.6-5.5 5.2=54, 11871/10696=35...(42) HA LYS 31 + HD3 LYS 31 OK 84 84 100 99 2.0-4.8 5.2=52, 822/2.9=29...(34) HA LYS 31 + HD2 LYS 31 OK 81 82 100 99 2.0-4.9 5.2=52, 822/2.9=29...(34) HA LYS 26 + HD3 LYS 26 OK 79 94 85 99 2.5-5.2 5.0=60, ~6253=33...(32) * HA LYS 19 + HD3 LYS 19 OK 59 100 60 98 3.9-5.5 5.2=54, 627/3.0=26...(41) HA LYS 26 + HD2 LYS 26 OK 40 89 45 99 3.8-5.5 5.0=60, ~6253=33...(32) HA LEU 22 + HD2 LYS 24 OK 24 87 50 56 2.0-8.9 401/10812=17, ~1309=11...(12) HA LEU 22 - HD3 LYS 24 poor 20 89 45 50 1.9-8.8 ~1309=11, 11967/3.0=9...(12) HA THR 25 - HD3 LYS 26 poor 16 64 25 - 4.3-7.0 HA THR 25 - HD2 LYS 26 poor 15 60 25 - 3.0-7.4 HA ARG 23 - HD3 LYS 24 far 11 70 15 - 3.7-7.9 HA ALA 15 - HD2 LYS 19 far 9 87 10 - 4.4-12.5 HA ALA 15 - HD3 LYS 19 far 9 87 10 - 4.8-12.5 HA ALA 28 - HD2 LYS 26 far 5 48 10 - 3.8-10.7 HA LYS 19 - HD3 LYS 31 far 4 90 5 - 2.1-21.0 HA LEU 22 - HD3 LYS 31 far 4 89 5 - 5.1-21.9 HA LYS 31 - HD3 LYS 26 far 4 89 5 - 5.0-16.1 HA LYS 19 - HD2 LYS 31 far 4 87 5 - 3.8-21.0 HA LYS 31 - HD2 LYS 26 far 4 84 5 - 3.8-16.5 HA ARG 23 - HD3 LYS 26 far 4 75 5 - 3.6-11.3 HA ARG 23 - HD2 LYS 26 far 4 70 5 - 2.1-11.5 HA ARG 23 - HD2 LYS 24 far 3 68 5 - 4.8-8.7 HA GLN 27 - HD2 LYS 26 far 3 62 5 - 3.8-7.8 HA GLN 27 - HD3 LYS 31 far 3 62 5 - 4.6-13.2 HA THR 25 - HD3 LYS 24 far 3 60 5 - 3.4-7.5 HA ALA 21 - HD2 LYS 24 far 3 59 5 - 5.0-11.7 HA ALA 28 - HD3 LYS 26 far 3 52 5 - 4.4-10.1 HA ALA 16 - HD3 LYS 19 lone 2 98 35 4 2.1-10.6 7131/6.2=1 HA ALA 16 - HD2 LYS 19 lone 1 98 25 5 3.4-10.2 7131/6.2=1 HA THR 18 - HD3 LYS 19 far 0 71 0 - 5.1-7.8 HA THR 25 - HD2 LYS 24 far 0 57 0 - 5.2-8.2 HA THR 18 - HD2 LYS 19 far 0 71 0 - 5.2-7.4 HA GLN 27 - HD2 LYS 31 far 0 59 0 - 5.4-13.0 HA GLN 27 - HD3 LYS 26 far 0 66 0 - 5.5-7.8 HA SER 74 - HD3 LYS 19 far 0 73 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 83 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 70 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 62 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 87 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 70 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 57 0 - 6.1-23.4 HA ALA 28 - HD3 LYS 24 far 0 48 0 - 6.2-15.8 HA ALA 21 - HD2 LYS 26 far 0 62 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 90 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 68 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 87 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 55 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 97 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 87 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 57 0 - 6.8-18.4 HA ALA 28 - HD2 LYS 19 far 0 60 0 - 6.9-20.2 HA LYS 26 - HD3 LYS 31 far 0 89 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 73 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 94 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 79 0 - 7.0-40.9 HA LYS 26 - HD2 LYS 31 far 0 87 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 89 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 85 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 55 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 87 0 - 7.5-20.7 HA GLN 27 - HD2 LYS 19 far 0 76 0 - 7.5-19.3 HA LYS 36 - HD2 LYS 31 far 0 83 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 76 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 97 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 60 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 7.7-10.6 HA GLN 27 - HD3 LYS 19 far 0 76 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 48 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 91 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 66 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 46 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 60 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 57 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 86 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 46 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 62 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 86 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 79 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 84 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 90 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 82 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 57 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 62 0 - 8.8-12.8 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 8.9-11.0 HA LYS 19 - HD3 LYS 26 far 0 94 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 76 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 71 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 59 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 77 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 84 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 77 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 62 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 59 0 - 9.6-22.3 HA LEU 22 - HD2 LYS 19 far 0 100 0 - 9.9-12.2 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 38 assignments used, quality = 1.00: HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HB2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 1.9-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.0-4.0 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 1.9-4.1 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.0-4.0 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 3.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.1-4.2 3.5=100 HB2 LYS 24 - HD2 LYS 26 far 9 89 10 - 3.8-12.9 HB2 ARG 23 - HD3 LYS 24 far 9 88 10 - 4.6-9.3 HB2 ARG 23 - HD2 LYS 24 far 9 86 10 - 5.4-10.0 HB2 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.3-12.3 HB2 ARG 23 - HD3 LYS 26 far 5 93 5 - 5.5-13.8 HB2 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 4 90 5 - 5.6-14.8 HB2 ARG 23 - HD2 LYS 26 far 4 88 5 - 4.1-14.0 HB2 LYS 26 - HD2 LYS 31 far 4 87 5 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 4 87 5 - 5.5-20.9 HB2 LYS 31 - HD2 LYS 26 lone 3 87 30 10 2.4-13.9 809/6348=5, 6331/6336=2 HB2 LYS 31 - HD3 LYS 26 lone 2 92 30 8 2.6-13.4 809/6348=4 HB2 ARG 23 - HD3 LYS 31 far 0 88 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 86 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 99 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 90 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 100 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 86 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 99 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.4-20.6 HB2 LYS 26 - HD2 LYS 24 far 0 87 0 - 7.5-12.4 HB2 ARG 23 - HD2 LYS 19 far 0 100 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 84 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.2-17.0 HB2 LYS 19 - HD3 LYS 26 far 0 94 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 90 0 - 8.6-16.5 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.0-16.3 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 306 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 4.05 A): 8 out of 51 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-3.9 3.9=100 HB3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.0-4.2 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 2.3-4.0 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.3-4.2 3.5=100 HB ILE 32 - HD2 LYS 26 far 13 88 15 - 4.4-15.8 HB3 LYS 24 - HD3 LYS 26 far 9 94 10 - 2.8-11.2 HB3 LYS 24 - HD2 LYS 26 far 9 89 10 - 2.5-11.6 HB ILE 32 - HD3 LYS 31 far 9 88 10 - 4.6-9.2 HB3 ARG 23 - HD2 LYS 26 far 8 83 10 - 4.3-13.4 HB3 LYS 31 - HD3 LYS 26 far 5 94 5 - 3.8-14.8 HB ILE 32 - HD3 LYS 26 far 5 92 5 - 4.8-14.9 HB3 LYS 31 - HD2 LYS 26 far 4 90 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.3-19.1 HB3 ARG 23 - HD3 LYS 26 far 4 88 5 - 4.9-13.2 HB ILE 32 - HD2 LYS 31 far 4 85 5 - 4.9-9.0 HB3 LYS 26 - HD3 LYS 31 far 0 87 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 84 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 83 0 - 5.3-8.7 HB3 LYS 31 - HD2 LYS 19 far 0 100 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 80 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 86 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 80 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 88 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 93 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 88 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 87 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 90 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.1-12.3 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 90 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 88 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 87 0 - 8.4-12.6 HB ILE 32 - HD3 LYS 19 far 0 99 0 - 8.6-24.3 HB3 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.8-17.3 HB3 LYS 26 - HD2 LYS 24 far 0 84 0 - 8.9-13.1 HB ILE 32 - HD2 LYS 19 far 0 99 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.5-17.0 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.8-19.8 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 74 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 2.4-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.4-2.9 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 15 - HD2 LYS 19 poor 17 87 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 13 87 15 - 3.1-10.4 QB ALA 28 - HD2 LYS 26 far 11 70 15 - 4.6-9.5 QB ALA 29 - HD2 LYS 26 far 8 76 10 - 4.1-12.5 HG3 LYS 31 - HD3 LYS 26 far 6 59 10 - 4.1-16.0 QB ALA 28 - HD2 LYS 19 far 4 85 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 85 5 - 4.7-17.0 QB ALA 29 - HD3 LYS 26 far 4 81 5 - 4.6-11.8 QB ALA 15 - HD2 LYS 31 far 3 70 5 - 3.7-21.3 HG3 LYS 31 - HD2 LYS 26 far 0 55 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 78 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 72 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 75 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 82 0 - 5.1-12.5 QB ALA 28 - HD3 LYS 31 far 0 70 0 - 5.4-10.1 QB ALA 21 - HD2 LYS 24 far 0 59 0 - 5.4-10.5 QB ALA 21 - HD3 LYS 19 far 0 76 0 - 5.5-8.6 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.6-20.4 QB ALA 21 - HD2 LYS 19 far 0 76 0 - 5.6-8.3 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 73 0 - 5.8-10.1 QB ALA 21 - HD3 LYS 24 far 0 62 0 - 5.9-10.6 QB ALA 12 - HD3 LYS 19 far 0 100 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 68 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 100 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 74 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 75 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 70 0 - 6.3-14.0 QB ALA 21 - HD3 LYS 31 far 0 62 0 - 6.4-19.1 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 76 0 - 6.5-9.7 QB ALA 28 - HD2 LYS 24 far 0 68 0 - 6.6-15.0 QB ALA 21 - HD2 LYS 26 far 0 62 0 - 6.6-15.8 HG3 LYS 26 - HD2 LYS 24 far 0 71 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 76 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 68 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 74 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 76 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 55 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 71 0 - 7.5-14.9 QB ALA 21 - HD2 LYS 31 far 0 59 0 - 7.5-19.4 QB ALA 29 - HD2 LYS 19 far 0 90 0 - 7.6-18.2 QB ALA 21 - HD3 LYS 26 far 0 66 0 - 7.8-16.0 QB ALA 110 - HD2 LYS 24 far 0 70 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 92 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 73 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 81 0 - 8.0-23.3 HG3 LYS 31 - HD3 LYS 19 far 0 68 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 73 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 88 0 - 8.3-29.9 HG2 LYS 36 - HD3 LYS 31 far 0 76 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 90 0 - 8.5-19.2 QB ALA 12 - HD3 LYS 26 far 0 93 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 53 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 72 0 - 8.8-42.3 QB ALA 15 - HD2 LYS 24 far 0 70 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 86 0 - 9.1-29.1 HG2 LYS 19 - HD2 LYS 24 far 0 87 0 - 9.2-16.0 HG2 LYS 24 - HD3 LYS 19 far 0 92 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 88 0 - 9.4-31.2 HG3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.5-20.4 QB ALA 15 - HD3 LYS 26 far 0 77 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.9-15.7 QB ALA 15 - HD3 LYS 24 far 0 72 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 3.21 A): 8 out of 49 assignments used, quality = 1.00: HG3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.6-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 88 88 100 100 2.3-2.9 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HG13 ILE 32 - HD3 LYS 31 far 13 88 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 31 far 13 86 15 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 far 9 88 10 - 3.0-13.6 QB ALA 34 - HD3 LYS 26 far 6 62 10 - 2.0-17.7 QB ALA 34 - HD2 LYS 26 far 6 57 10 - 3.3-18.8 HG3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-12.6 HG2 LYS 31 - HD3 LYS 26 far 5 94 5 - 3.8-15.2 HG13 ILE 32 - HD3 LYS 26 far 5 93 5 - 3.5-12.7 HG3 LYS 24 - HD2 LYS 26 far 4 89 5 - 3.9-13.0 HG2 LYS 31 - HD2 LYS 26 far 0 89 0 - 4.4-16.1 QB ALA 34 - HD2 LYS 19 far 0 71 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 57 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 71 0 - 5.2-22.3 HG2 LYS 26 - HD3 LYS 31 far 0 83 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 5.5-23.5 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 66 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 6.9-11.8 HG2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.9-20.3 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 7.0-14.5 HG3 LYS 36 - HD3 LYS 31 far 0 62 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 83 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.5-22.6 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 87 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 80 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 89 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 88 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.3-20.6 HG13 ILE 32 - HD2 LYS 19 far 0 100 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 100 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 97 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 86 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 87 0 - 9.9-15.8 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 68 assignments used, quality = 1.00: * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 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 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.3-3.0 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 24 - HD3 LYS 26 far 5 94 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 94 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 85 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 85 0 - 5.1-11.5 HE2 LYS 31 - HD3 LYS 24 far 0 88 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 86 0 - 5.5-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 85 0 - 5.6-12.9 HE2 LYS 26 - HD2 LYS 24 far 0 83 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 83 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 89 0 - 5.9-24.7 HE3 LYS 26 - HD2 LYS 31 far 0 83 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 89 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 92 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 83 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 85 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 88 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 85 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 85 0 - 6.5-22.5 HE3 LYS 31 - HD3 LYS 26 far 0 90 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 6.9-18.7 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.5-22.4 HE3 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 83 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 85 0 - 7.8-17.1 HE2 LYS 19 - HD3 LYS 26 far 0 94 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 87 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 99 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 92 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 98 0 - 8.5-22.4 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 94 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.7-22.4 HE3 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 99 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 89 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.1-23.7 HE2 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.6-17.8 HE3 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.9-20.9 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 68 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 83 83 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 90 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 89 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.1-11.5 HE2 LYS 31 - HD3 LYS 24 far 0 90 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 83 0 - 5.5-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.6-12.9 HE2 LYS 26 - HD2 LYS 24 far 0 86 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 85 0 - 5.9-24.7 HE3 LYS 26 - HD2 LYS 31 far 0 86 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 85 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 89 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 86 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 89 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 90 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 89 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.5-22.5 HE3 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 98 0 - 6.9-18.7 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.5-22.4 HE3 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 86 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 89 0 - 7.8-17.1 HE2 LYS 19 - HD3 LYS 26 far 0 92 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 84 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 94 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 8.5-22.4 HE2 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 87 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 92 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.7-22.4 HE3 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 87 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.1-23.7 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 88 0 - 9.6-17.8 HE3 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 315 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 21 out of 106 assignments used, quality = 1.00: * HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 4.1-6.6 6.4=100 HA LYS 36 + HE2 LYS 36 OK 99 99 100 100 5.6-6.5 6.0=100 HA LYS 19 + HE3 LYS 19 OK 98 98 100 100 4.2-6.1 6.4=100 HA LYS 36 + HE3 LYS 36 OK 98 98 100 100 4.7-6.5 6.0=100 HA PHE 87 + HE3 LYS 86 OK 95 100 95 100 4.4-7.9 4.9/2704=92...(10) HA LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.0-6.1 6.5=100 HA LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.8-6.5 6.6=100 HA LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.2-6.0 6.6=100 HA LYS 31 + HE3 LYS 31 OK 89 89 100 100 2.6-6.0 6.5=100 HA THR 25 + HE3 LYS 26 OK 63 64 100 98 3.2-7.5 11150/3.6=62, 9587=46...(12) HA THR 25 + HE2 LYS 26 OK 59 64 95 98 2.8-7.9 11150/3.6=62...(13) HA LEU 22 + HE3 LYS 24 OK 54 100 85 64 2.1-8.7 11967/4.0=25...(9) HA THR 25 + HE2 LYS 24 OK 48 72 70 94 6.1-9.0 ~544=46, ~555=41...(11) HA ARG 23 + HE2 LYS 24 OK 43 84 65 79 4.5-9.3 424/7.4=53, 833/4.0=12...(15) HA ARG 23 + HE3 LYS 24 OK 43 84 65 78 4.1-9.5 424/7.4=53, 833/4.0=12...(15) HA THR 25 + HE3 LYS 24 OK 41 72 60 94 4.8-9.1 ~544=46, ~555=41...(10) HA LEU 22 + HE2 LYS 24 OK 38 100 70 55 3.1-8.8 11967/4.0=25, 282/4.0=11...(8) HA THR 18 + HE3 LYS 19 OK 35 67 55 96 4.8-9.2 ~10696=82, 226/7.3=40...(8) HA GLN 27 + HE3 LYS 26 OK 34 66 65 78 5.4-8.7 ~6267=33, ~6266=33...(11) HA THR 18 + HE2 LYS 19 OK 27 71 40 96 6.1-8.5 ~10696=82, 226/7.3=40...(8) HA GLN 27 + HE2 LYS 26 OK 21 66 40 79 6.3-9.1 ~6267=33, ~6266=33...(12) HA GLN 27 - HE3 LYS 31 poor 17 66 25 - 5.5-14.7 HA ALA 28 - HE2 LYS 26 poor 16 52 30 - 4.7-11.0 HA ARG 23 - HE2 LYS 26 poor 15 75 20 - 3.6-11.8 HA LYS 19 - HE3 LYS 24 far 15 100 15 - 4.4-14.4 HA ALA 21 - HE3 LYS 24 poor 15 75 20 - 4.9-11.8 HA LYS 26 - HE2 LYS 31 far 15 98 15 - 6.5-14.4 HA LYS 19 - HE3 LYS 31 far 14 94 15 - 3.8-22.2 HA ARG 84 - HE3 LYS 86 poor 14 85 25 66 6.5-8.3 4.9/9767=59, 7131/6.9=15 HA LYS 31 - HE2 LYS 26 far 13 89 15 - 6.2-16.8 HA ALA 28 - HE3 LYS 26 poor 13 52 25 - 4.8-10.2 HA ARG 23 - HE3 LYS 26 far 11 75 15 - 3.1-11.4 HA SER 74 - HE3 LYS 86 far 11 73 15 - 7.4-12.0 HA LYS 19 - HE2 LYS 24 far 10 100 10 - 3.8-14.9 HA LYS 26 - HE3 LYS 24 far 10 100 10 - 7.1-11.8 HA LYS 19 - HE2 LYS 31 far 10 98 10 - 4.9-21.3 HA LEU 22 - HE2 LYS 31 far 10 98 10 - 4.9-22.6 HA LEU 22 - HE3 LYS 31 far 9 94 10 - 6.3-24.0 HA LEU 22 - HE2 LYS 26 far 9 94 10 - 7.2-15.6 HA LYS 31 - HE3 LYS 26 far 9 89 10 - 4.7-17.0 HA ARG 23 - HE2 LYS 31 far 8 81 10 - 4.9-18.7 HA ARG 23 - HE3 LYS 31 far 8 75 10 - 5.5-19.0 HA THR 18 - HE3 LYS 24 far 7 70 10 - 7.2-14.7 HA THR 25 - HE2 LYS 31 far 7 69 10 - 5.1-18.0 HA THR 25 - HE3 LYS 31 far 6 64 10 - 4.9-17.1 HA ALA 16 - HE2 LYS 19 lone 6 98 55 10 3.7-12.6 7131/7.3=3 HA ALA 28 - HE2 LYS 31 far 6 56 10 - 6.2-13.8 HA ALA 16 - HE3 LYS 19 lone 5 95 50 10 4.0-12.0 7131/7.3=3 HA LYS 31 - HE2 LYS 19 far 5 97 5 - 6.8-21.9 HA LYS 31 - HE3 LYS 19 far 5 94 5 - 6.1-21.9 HA LEU 22 - HE3 LYS 26 far 5 94 5 - 7.3-13.9 HA LYS 26 - HE3 LYS 31 far 5 94 5 - 7.5-13.4 HA ALA 16 - HE3 LYS 31 far 4 90 5 - 7.5-25.7 HA ALA 12 - HE2 LYS 19 far 4 87 5 - 5.8-19.1 HA GLN 61 - HE3 LYS 26 far 4 84 5 - 7.5-41.0 HA ALA 12 - HE3 LYS 19 far 4 83 5 - 6.0-19.5 HA ALA 15 - HE2 LYS 31 far 4 83 5 - 6.8-24.8 HA ARG 23 - HE3 LYS 19 far 4 81 5 - 7.3-13.1 HA ALA 15 - HE3 LYS 31 far 4 77 5 - 6.9-26.0 HA GLN 27 - HE2 LYS 19 far 4 76 5 - 5.9-19.7 HA SER 74 - HE2 LYS 19 far 4 73 5 - 5.0-34.2 HA GLN 27 - HE3 LYS 19 far 4 72 5 - 6.3-18.5 HA ALA 21 - HE3 LYS 19 far 4 72 5 - 7.6-11.0 HA THR 18 - HE2 LYS 24 far 3 70 5 - 5.8-15.2 HA SER 74 - HE3 LYS 19 far 3 69 5 - 6.5-33.5 HA ALA 21 - HE2 LYS 26 far 3 66 5 - 7.7-18.0 HA ALA 28 - HE2 LYS 19 far 3 60 5 - 5.0-20.5 HA ALA 28 - HE2 LYS 24 far 3 59 5 - 7.7-15.7 HA ALA 28 - HE3 LYS 19 far 3 56 5 - 6.3-20.7 HA ALA 28 - HE3 LYS 31 far 3 52 5 - 7.6-13.7 HA ALA 15 - HE3 LYS 19 lone 1 83 35 3 5.6-14.5 HA ALA 15 - HE2 LYS 19 lone 1 87 30 3 4.2-14.7 HA GLN 27 - HE2 LYS 31 lone 1 72 30 3 4.4-14.3 HA ALA 21 - HE2 LYS 24 lone 1 75 30 3 6.3-12.4 HA ALA 28 - HE3 LYS 24 far 0 59 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 95 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 97 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 62 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 91 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 75 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 85 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 91 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 84 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 66 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 67 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 94 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 76 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 97 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 97 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 98 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 91 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 97 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 66 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 72 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 96 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 72 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 77 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 92 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 62 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 77 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 92 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 75 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 1.9-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.0-4.4 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 1.9-4.8 4.8=100 HB ILE 80 + HE3 LYS 86 OK 94 94 100 100 1.9-5.1 ~11877=69, ~11243=67...(20) HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.0-4.7 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.0-5.1 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 92 92 100 100 3.1-5.4 4.8=100 HG3 ARG 90 + HE3 LYS 86 OK 64 87 80 93 2.9-9.3 9651/9655=75...(5) HB2 ARG 23 - HE2 LYS 24 far 15 99 15 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 far 15 99 15 - 4.4-10.1 HB2 ARG 23 - HE2 LYS 31 far 10 97 10 - 5.5-19.9 HB2 LYS 24 - HE3 LYS 26 far 9 94 10 - 3.2-10.9 HB2 LYS 24 - HE2 LYS 26 far 9 94 10 - 3.9-12.6 HB2 ARG 23 - HE2 LYS 26 far 9 93 10 - 4.6-13.6 HB2 LYS 19 - HE2 LYS 24 far 5 100 5 - 5.7-16.4 HB2 LYS 26 - HE3 LYS 24 far 5 100 5 - 6.0-13.1 HB2 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.6-19.1 HB2 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-20.1 HB2 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.8-12.3 HB2 LYS 31 - HE3 LYS 19 far 5 96 5 - 5.1-19.0 HB2 LYS 19 - HE3 LYS 31 far 5 94 5 - 5.1-22.2 HB2 LYS 24 - HE3 LYS 31 far 5 94 5 - 5.0-19.9 HB2 ARG 23 - HE3 LYS 26 far 5 93 5 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 31 far 5 93 5 - 5.6-20.3 HB2 LYS 31 - HE3 LYS 26 far 5 92 5 - 3.2-14.2 HB2 LYS 31 - HE2 LYS 26 far 5 92 5 - 4.5-15.1 HB2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.2-16.4 HB2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 100 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 96 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 98 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 87 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 99 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 75 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 317 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 6.24 A): 15 out of 71 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.4 4.9=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.2-5.5 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 3.5-5.4 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 45 92 50 97 5.1-9.8 10825=38, 10825/1.8=28...(41) HB ILE 32 + HE2 LYS 31 OK 37 97 40 96 5.0-10.0 10825/1.8=36, 10825=29...(35) HB ILE 32 + HE2 LYS 26 OK 37 92 40 100 4.9-16.7 10833/3.0=93, ~10767=62...(30) HB ILE 32 + HE3 LYS 26 OK 28 92 30 100 4.6-16.1 10833/3.0=93, ~10767=62...(30) HB ILE 32 - HE2 LYS 36 poor 20 99 20 - 4.4-10.1 HB3 LYS 26 - HE2 LYS 31 poor 19 96 20 - 5.9-13.4 HB3 LYS 19 - HE2 LYS 31 far 15 98 15 - 6.1-19.6 HB3 ARG 23 - HE2 LYS 24 far 14 96 15 - 4.3-10.0 HB3 LYS 19 - HE3 LYS 31 far 14 94 15 - 4.9-20.5 HB3 LYS 24 - HE2 LYS 26 far 14 94 15 - 2.3-11.2 HB3 ARG 23 - HE3 LYS 26 far 13 88 15 - 4.7-12.6 HB3 ARG 23 - HE3 LYS 24 poor 12 96 25 50 4.8-9.8 6221/7.4=14, 3.8/865=6...(22) HB3 LYS 19 - HE2 LYS 24 far 10 100 10 - 6.3-15.6 HB3 LYS 24 - HE3 LYS 26 far 9 94 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 31 far 9 93 10 - 4.6-20.4 HB2 LYS 36 - HE3 LYS 31 far 9 93 10 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 9 92 10 - 6.8-13.2 HB3 ARG 23 - HE2 LYS 26 far 9 88 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 31 far 9 88 10 - 5.9-19.8 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.9-15.4 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 4.4-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 7.0-14.0 HB3 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-21.5 HB2 LYS 36 - HE2 LYS 31 far 5 97 5 - 7.1-11.6 HB3 LYS 31 - HE3 LYS 26 far 5 94 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 94 5 - 6.0-15.4 HB3 LYS 24 - HE3 LYS 31 far 5 94 5 - 5.6-21.1 HB3 LYS 19 - HE2 LYS 26 far 5 94 5 - 6.7-19.5 HB3 ARG 23 - HE3 LYS 19 far 5 93 5 - 5.9-13.1 HB2 LYS 36 - HE3 LYS 26 far 5 93 5 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 5 93 5 - 6.2-21.1 HB2 CYS 79 - HE3 LYS 86 far 0 65 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 100 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 97 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 99 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 90 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 96 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 99 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 96 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 98 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 64 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 99 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 65 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 96 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 65 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 318 from cnoeabs.peaks (1.36, 2.96, 41.80 ppm; 5.06 A): 10 out of 83 assignments used, quality = 1.00: * HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.7-4.1 3.8=100 HG2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.2-4.2 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 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 90 90 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 89 89 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 79 79 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 79 79 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 64 64 100 100 2.1-3.9 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 59 59 100 100 2.0-4.2 3.7=100 QB ALA 15 - HE2 LYS 19 far 13 87 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 12 83 15 - 3.2-11.4 QB ALA 28 - HE3 LYS 26 far 11 75 15 - 5.3-9.8 QB ALA 21 - HE3 LYS 24 far 11 75 15 - 5.7-11.2 QB ALA 12 - HE2 LYS 19 far 10 100 10 - 4.0-16.7 QB ALA 12 - HE3 LYS 19 far 10 97 10 - 3.8-17.0 QB ALA 29 - HE2 LYS 26 far 8 81 10 - 4.4-12.8 QB ALA 29 - HE3 LYS 26 far 8 81 10 - 5.3-12.0 QB ALA 28 - HE2 LYS 26 far 8 75 10 - 5.7-10.5 HB2 LEU 42 - HE3 LYS 36 far 5 92 5 - 5.9-12.4 HG2 LYS 24 - HE2 LYS 31 far 4 88 5 - 4.0-21.2 HG3 LYS 26 - HE3 LYS 24 far 4 88 5 - 4.3-13.1 HG3 LYS 26 - HE2 LYS 24 far 4 88 5 - 5.9-12.5 QB ALA 29 - HE2 LYS 31 far 4 86 5 - 4.7-10.3 QB ALA 28 - HE2 LYS 19 far 4 85 5 - 2.2-17.8 HG3 LYS 26 - HE2 LYS 31 far 4 84 5 - 5.7-14.7 QB ALA 15 - HE2 LYS 31 far 4 83 5 - 4.7-19.7 HG2 LYS 24 - HE3 LYS 31 far 4 82 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 4 82 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 4 82 5 - 4.8-12.5 QB ALA 28 - HE3 LYS 19 far 4 81 5 - 3.2-17.3 QB ALA 29 - HE3 LYS 31 far 4 81 5 - 5.3-10.3 QB ALA 28 - HE2 LYS 31 far 4 81 5 - 4.8-10.9 QB ALA 15 - HE3 LYS 31 far 4 77 5 - 5.3-20.9 QB ALA 21 - HE2 LYS 24 far 4 75 5 - 5.9-11.2 QB ALA 21 - HE3 LYS 19 far 4 72 5 - 5.5-8.9 HG3 LYS 31 - HE3 LYS 26 far 3 59 5 - 5.2-15.5 HB2 LEU 42 - HE2 LYS 36 far 0 93 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 75 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 64 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 90 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 59 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 67 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 79 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 89 0 - 6.6-12.6 QB ALA 21 - HE2 LYS 19 far 0 76 0 - 6.7-9.5 QB ALA 29 - HE2 LYS 24 far 0 89 0 - 6.8-17.3 QB ALA 21 - HE3 LYS 31 far 0 66 0 - 6.9-21.1 HG2 LYS 19 - HE2 LYS 26 far 0 94 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 90 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 89 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 84 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 81 0 - 7.1-23.8 QB ALA 21 - HE2 LYS 26 far 0 66 0 - 7.2-16.5 QB ALA 12 - HE3 LYS 31 far 0 93 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 68 0 - 7.3-20.3 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 67 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 81 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 100 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 86 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 86 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 86 0 - 7.9-20.7 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 8.0-20.1 QB ALA 21 - HE3 LYS 26 far 0 66 0 - 8.0-15.1 HG2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.3-20.9 HG2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.4-18.7 QB ALA 46 - HE2 LYS 36 far 0 76 0 - 8.4-12.8 QB ALA 12 - HE2 LYS 26 far 0 93 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 97 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 88 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 81 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 67 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 86 0 - 8.8-13.8 QB ALA 46 - HE3 LYS 36 far 0 75 0 - 8.9-13.0 HG3 LYS 31 - HE2 LYS 36 far 0 68 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 88 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 92 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 99 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 89 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 93 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 319 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 4.90 A): 13 out of 62 assignments used, quality = 1.00: * HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.0 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 2.3-4.2 3.6=100 HG2 LYS 86 + HE3 LYS 86 OK 76 76 100 100 2.4-3.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 76 76 100 100 2.5-3.9 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 75 75 100 100 2.1-4.0 4.0=100 HG13 ILE 32 + HE2 LYS 31 OK 31 97 35 92 2.7-10.2 10757/6.5=29...(43) HG13 ILE 32 + HE3 LYS 31 OK 30 93 35 91 3.5-9.5 10757/6.5=29...(44) HG13 ILE 32 - HE2 LYS 26 poor 19 93 20 - 3.8-14.7 QB ALA 34 - HE3 LYS 26 poor 15 62 25 - 2.6-18.8 HG13 ILE 32 - HE3 LYS 26 far 14 93 15 - 3.9-14.0 HG13 ILE 32 - HE2 LYS 36 far 5 100 5 - 5.8-11.9 HG3 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.6-22.4 HG2 LYS 26 - HE3 LYS 24 far 5 96 5 - 5.7-14.5 HG3 LYS 24 - HE2 LYS 26 far 5 94 5 - 4.0-12.7 HG2 LYS 31 - HE3 LYS 26 far 5 94 5 - 4.3-16.8 HG3 LYS 24 - HE3 LYS 26 far 5 94 5 - 4.4-11.8 QB ALA 34 - HE2 LYS 26 lone 4 62 40 16 3.0-18.9 908/10757=13, 6364/865=2 QB ALA 34 - HE2 LYS 19 far 4 71 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 36 far 4 71 5 - 5.8-7.9 QB ALA 34 - HE2 LYS 24 far 3 70 5 - 4.5-27.4 QB ALA 34 - HE3 LYS 24 far 3 70 5 - 5.8-27.7 QB ALA 34 - HE3 LYS 19 far 3 67 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 31 far 3 67 5 - 5.5-13.1 HG3 LYS 36 - HE3 LYS 26 far 3 66 5 - 5.6-23.2 QB ALA 34 - HE3 LYS 31 far 0 62 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 94 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 66 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 94 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 94 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 100 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 97 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 96 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 66 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 72 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 99 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 100 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 88 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 99 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 99 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 93 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 97 0 - 9.8-20.6 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 102 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 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 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 92 92 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.3-3.0 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 2.2-3.0 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 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 97 5 - 3.7-14.5 HD3 LYS 26 - HE2 LYS 24 far 5 97 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 5 96 5 - 4.8-14.1 HD3 LYS 24 - HE3 LYS 31 far 4 88 5 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 4 88 5 - 5.1-11.5 HG3 ARG 23 - HE2 LYS 24 far 4 75 5 - 3.6-11.2 HG3 ARG 23 - HE3 LYS 24 far 4 75 5 - 4.2-10.4 HG3 ARG 23 - HE2 LYS 31 far 4 72 5 - 4.4-22.5 HG3 ARG 23 - HE2 LYS 26 far 3 66 5 - 2.6-14.6 HG3 ARG 23 - HE3 LYS 26 far 3 66 5 - 4.1-12.9 HD2 LYS 36 - HE2 LYS 26 far 0 71 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 93 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 71 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 71 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 88 0 - 5.6-12.9 HG3 ARG 23 - HE3 LYS 31 far 0 66 0 - 5.7-21.0 HD2 LYS 36 - HE3 LYS 31 far 0 71 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 71 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HG3 ARG 23 - HE3 LYS 19 far 0 72 0 - 6.2-14.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 88 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 92 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 76 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 90 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 96 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 88 0 - 7.8-17.1 HG3 ARG 23 - HE2 LYS 19 far 0 76 0 - 7.8-15.0 HB2 LEU 69 - HE2 LYS 36 far 0 83 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 76 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 96 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 76 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 96 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 76 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 98 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 81 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 81 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 80 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-20.9 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 102 assignments used, quality = 1.00: * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 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 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 92 92 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.3-3.0 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 2.2-3.0 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 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 97 5 - 3.7-14.5 HD3 LYS 26 - HE2 LYS 24 far 5 97 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 5 96 5 - 4.8-14.1 HD3 LYS 24 - HE3 LYS 31 far 4 88 5 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 4 88 5 - 5.1-11.5 HG3 ARG 23 - HE2 LYS 24 far 4 75 5 - 3.6-11.2 HG3 ARG 23 - HE3 LYS 24 far 4 75 5 - 4.2-10.4 HG3 ARG 23 - HE2 LYS 31 far 4 72 5 - 4.4-22.5 HG3 ARG 23 - HE2 LYS 26 far 3 66 5 - 2.6-14.6 HG3 ARG 23 - HE3 LYS 26 far 3 66 5 - 4.1-12.9 HD2 LYS 36 - HE2 LYS 26 far 0 71 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 93 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 71 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 71 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 88 0 - 5.6-12.9 HG3 ARG 23 - HE3 LYS 31 far 0 66 0 - 5.7-21.0 HD2 LYS 36 - HE3 LYS 31 far 0 71 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 71 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HG3 ARG 23 - HE3 LYS 19 far 0 72 0 - 6.2-14.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 88 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 92 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 76 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 90 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 96 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 88 0 - 7.8-17.1 HG3 ARG 23 - HE2 LYS 19 far 0 76 0 - 7.8-15.0 HB2 LEU 69 - HE2 LYS 36 far 0 83 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 76 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 96 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 76 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 96 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 76 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 98 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 81 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 81 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 80 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-20.9 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 106 assignments used, quality = 1.00: * HA LYS 19 + HE3 LYS 19 OK 99 100 100 99 4.2-6.1 6.4=66, 627/3.8=33...(35) HA LYS 26 + HE3 LYS 26 OK 98 100 100 98 3.2-6.0 6.6=60, 627/3.6=36...(23) HA LYS 31 + HE2 LYS 31 OK 97 97 100 99 2.0-6.1 6.5=64, 822/3.7=37...(27) HA LYS 31 + HE3 LYS 31 OK 96 97 100 99 2.6-6.0 6.5=64, 822/3.7=37...(27) HA LYS 26 + HE2 LYS 26 OK 93 100 95 98 2.8-6.5 6.6=60, 627/3.6=36...(23) HA LYS 36 + HE3 LYS 36 OK 93 98 95 100 4.7-6.5 6.0=81, 3.0/1064=48...(22) HA LYS 19 + HE2 LYS 19 OK 93 98 95 99 4.1-6.6 6.4=66, 627/3.8=33...(35) HA LYS 36 + HE2 LYS 36 OK 80 94 85 100 5.6-6.5 6.0=81, 3.0/1064=38...(22) HA PHE 87 + HE3 LYS 86 OK 78 99 80 99 4.4-7.9 4.9/2704=72...(10) HA THR 25 + HE3 LYS 26 OK 65 72 95 95 3.2-7.5 11150/3.6=56, 9587=46...(12) HA THR 25 + HE2 LYS 26 OK 62 72 90 95 2.8-7.9 11150/3.6=56...(12) HA LEU 22 + HE3 LYS 24 OK 30 100 55 54 2.1-8.7 11967/4.0=17...(9) HA LEU 22 + HE2 LYS 24 OK 25 94 60 45 3.1-8.8 11967/4.0=17, 282/4.0=9...(8) HA GLN 27 - HE2 LYS 31 poor 19 76 25 - 4.4-14.3 HA ALA 15 - HE2 LYS 19 poor 17 83 20 - 4.2-14.7 HA ARG 23 - HE3 LYS 24 poor 15 84 30 60 4.1-9.5 424/7.4=32, 833/4.0=10...(11) HA ALA 21 - HE3 LYS 24 poor 15 75 20 - 4.9-11.8 HA THR 25 - HE3 LYS 24 poor 14 72 20 - 4.8-9.1 HA THR 18 - HE3 LYS 19 poor 14 71 20 - 4.8-9.2 HA ARG 23 - HE2 LYS 24 poor 14 75 30 62 4.5-9.3 424/7.4=32, 833/4.0=10...(11) HA THR 25 - HE2 LYS 24 poor 13 64 20 - 6.1-9.0 HA LYS 19 - HE3 LYS 24 far 10 100 10 - 4.4-14.4 HA ALA 21 - HE2 LYS 24 far 10 66 15 - 6.3-12.4 HA LYS 19 - HE2 LYS 24 far 9 94 10 - 3.8-14.9 HA ALA 28 - HE2 LYS 26 far 9 59 15 - 4.7-11.0 HA ALA 28 - HE3 LYS 26 far 9 59 15 - 4.8-10.2 HA ALA 15 - HE3 LYS 19 far 9 87 10 - 5.6-14.5 HA ARG 23 - HE2 LYS 31 far 8 85 10 - 4.9-18.7 HA ARG 23 - HE2 LYS 26 far 8 84 10 - 3.6-11.8 HA ARG 23 - HE3 LYS 31 far 8 84 10 - 5.5-19.0 HA GLN 27 - HE3 LYS 26 far 7 75 10 - 5.4-8.7 HA GLN 27 - HE3 LYS 31 far 7 75 10 - 5.5-14.7 HA THR 25 - HE2 LYS 31 far 7 73 10 - 5.1-18.0 HA THR 25 - HE3 LYS 31 far 7 72 10 - 4.9-17.1 HA THR 18 - HE2 LYS 19 far 7 67 10 - 6.1-8.5 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 4.9-21.3 HA LEU 22 - HE2 LYS 31 far 5 100 5 - 4.9-22.6 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 3.8-22.2 HA LYS 26 - HE2 LYS 31 far 5 100 5 - 6.5-14.4 HA LEU 22 - HE3 LYS 31 far 5 100 5 - 6.3-24.0 HA LYS 31 - HE3 LYS 19 far 5 97 5 - 6.1-21.9 HA LYS 31 - HE3 LYS 26 far 5 97 5 - 4.7-17.0 HA LYS 31 - HE2 LYS 26 far 5 97 5 - 6.2-16.8 HA ALA 12 - HE3 LYS 19 far 4 87 5 - 6.0-19.5 HA ARG 23 - HE3 LYS 26 far 4 84 5 - 3.1-11.4 HA ALA 12 - HE2 LYS 19 far 4 83 5 - 5.8-19.1 HA GLN 27 - HE3 LYS 19 far 4 76 5 - 6.3-18.5 HA GLN 27 - HE2 LYS 26 far 4 75 5 - 6.3-9.1 HA GLN 27 - HE2 LYS 19 far 4 72 5 - 5.9-19.7 HA SER 74 - HE2 LYS 19 far 3 69 5 - 5.0-34.2 HA THR 18 - HE2 LYS 24 far 3 62 5 - 5.8-15.2 HA ALA 28 - HE2 LYS 31 far 3 60 5 - 6.2-13.8 HA ALA 28 - HE3 LYS 19 far 3 60 5 - 6.3-20.7 HA ALA 28 - HE2 LYS 19 far 3 56 5 - 5.0-20.5 HA ALA 16 - HE2 LYS 19 lone 2 95 35 7 3.7-12.6 7131/7.3=2 HA ALA 16 - HE3 LYS 19 lone 2 98 30 7 4.0-12.0 7131/7.3=2 HA ARG 84 - HE3 LYS 86 far 0 82 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 73 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 94 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 87 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 86 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 100 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 70 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 100 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 85 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 70 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 97 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 92 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-13.4 HA ALA 28 - HE3 LYS 31 far 0 59 0 - 7.6-13.7 HA ALA 21 - HE3 LYS 19 far 0 76 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 75 0 - 7.7-18.0 HA ALA 28 - HE2 LYS 24 far 0 52 0 - 7.7-15.7 HA ALA 28 - HE3 LYS 24 far 0 59 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 93 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 70 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 98 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 75 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 98 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 81 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 98 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 92 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 75 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 94 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 71 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 72 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 97 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 76 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 97 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 98 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 89 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 75 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 64 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 99 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 72 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 86 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 92 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 70 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 86 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 84 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 66 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.0-4.4 5.1=73, 6149/7.3=25...(64) HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 2.0-4.7 4.8=87, 6250/7.1=27...(57) HB2 LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.0-5.1 4.8=87, 6250/7.1=27...(57) HB2 LYS 24 + HE3 LYS 24 OK 99 100 100 99 1.9-5.1 5.1=74, 491/6.4=36...(30) HB2 LYS 31 + HE2 LYS 31 OK 98 99 100 99 1.9-4.8 4.8=85, 6331/7.1=27...(56) HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 99 3.1-5.4 4.8=85, 6331/7.1=27...(56) HB2 LYS 19 + HE2 LYS 19 OK 97 98 100 99 2.1-4.6 5.1=73, 6149/7.3=25...(64) HB2 LYS 24 + HE2 LYS 24 OK 93 94 100 99 2.8-5.4 5.1=74, 491/6.4=36...(30) HB ILE 80 + HE3 LYS 86 OK 92 92 100 100 1.9-5.1 ~11877=55, ~11243=54...(20) HG3 ARG 90 + HE3 LYS 86 OK 42 84 60 83 2.9-9.3 9651/9655=60...(5) HB2 ARG 23 - HE3 LYS 24 far 15 99 15 - 4.4-10.1 HB2 ARG 23 - HE2 LYS 24 far 14 93 15 - 4.3-10.8 HB2 LYS 24 - HE3 LYS 26 far 5 100 5 - 3.2-10.9 HB2 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-20.1 HB2 LYS 24 - HE2 LYS 26 far 5 100 5 - 3.9-12.6 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 ARG 23 - HE2 LYS 31 far 5 100 5 - 5.5-19.9 HB2 ARG 23 - HE2 LYS 26 far 5 99 5 - 4.6-13.6 HB2 ARG 23 - HE3 LYS 26 far 5 99 5 - 5.4-12.0 HB2 LYS 31 - HE3 LYS 19 far 5 99 5 - 5.1-19.0 HB2 LYS 31 - HE3 LYS 26 far 5 98 5 - 3.2-14.2 HB2 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.5-15.1 HB2 ARG 23 - HE3 LYS 31 far 0 99 0 - 5.6-20.3 HB2 LYS 31 - HE2 LYS 19 far 0 96 0 - 5.6-19.1 HB2 LYS 19 - HE2 LYS 24 far 0 94 0 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 19 far 0 100 0 - 5.8-12.3 HB2 LYS 26 - HE3 LYS 24 far 0 100 0 - 6.0-13.1 HB2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.2-16.4 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 95 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 98 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 92 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 96 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 98 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 83 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 99 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 75 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 328 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.30 A): 14 out of 71 assignments used, quality = 1.00: * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.4 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.4 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.4 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 86 86 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 28 99 30 94 5.1-9.8 10825=33, 10825/1.8=22...(41) HB ILE 32 + HE2 LYS 31 OK 28 99 30 93 5.0-10.0 10825/1.8=29, 10825=25...(35) HB ILE 32 + HE2 LYS 26 OK 25 99 25 100 4.9-16.7 10833/3.0=78...(30) HB ILE 32 - HE3 LYS 26 far 15 99 15 - 4.6-16.1 HB3 ARG 23 - HE3 LYS 24 far 14 96 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 13 88 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 100 10 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 10 100 10 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 10 96 10 - 4.7-12.6 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.8-15.1 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.1-19.6 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.9-15.4 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB2 LYS 36 - HE3 LYS 26 far 5 99 5 - 6.2-21.3 HB3 LYS 26 - HE2 LYS 31 far 5 99 5 - 5.9-13.4 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.9-13.1 HB ILE 32 - HE2 LYS 36 far 5 96 5 - 4.4-10.1 HB3 ARG 23 - HE3 LYS 31 far 5 96 5 - 5.9-19.8 HB2 LYS 36 - HE2 LYS 26 far 0 99 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 94 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 99 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 63 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 98 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 99 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 92 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 87 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 96 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 92 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 97 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 92 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 96 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 64 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 98 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 60 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 61 0 - 10.0-34.6 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 83 assignments used, quality = 1.00: * HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.7-4.1 3.8=100 HG3 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.0-4.1 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 98 2.2-4.0 4.0=88, 3.0/1064=26...(23) HG2 LYS 36 + HE2 LYS 36 OK 83 85 100 98 2.0-4.2 4.0=88, 3.0/1064=21...(23) HG2 LYS 24 + HE2 LYS 24 OK 79 82 100 96 2.1-4.2 4.0=89, 483/6.4=20...(19) HG3 LYS 31 + HE2 LYS 31 OK 68 68 100 100 2.1-3.9 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 67 67 100 100 2.0-4.2 3.7=100 QB ALA 15 - HE2 LYS 19 far 12 83 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 9 87 10 - 3.2-11.4 QB ALA 12 - HE3 LYS 19 far 5 100 5 - 3.8-17.0 QB ALA 12 - HE2 LYS 19 far 5 97 5 - 4.0-16.7 HG2 LYS 24 - HE2 LYS 31 far 5 92 5 - 4.0-21.2 HG2 LYS 24 - HE3 LYS 31 far 5 91 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 5 91 5 - 4.7-11.5 QB ALA 29 - HE2 LYS 31 far 5 90 5 - 4.7-10.3 QB ALA 29 - HE2 LYS 26 far 4 89 5 - 4.4-12.8 HG3 LYS 26 - HE3 LYS 24 far 4 88 5 - 4.3-13.1 QB ALA 15 - HE2 LYS 31 far 4 87 5 - 4.7-19.7 QB ALA 28 - HE3 LYS 19 far 4 85 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 19 far 4 81 5 - 2.2-17.8 HG2 LYS 24 - HE2 LYS 26 far 0 91 0 - 4.8-12.5 QB ALA 28 - HE2 LYS 31 far 0 85 0 - 4.8-10.9 HG3 LYS 31 - HE3 LYS 26 far 0 67 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 86 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 89 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 84 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 89 0 - 5.3-10.3 QB ALA 21 - HE3 LYS 19 far 0 76 0 - 5.5-8.9 HG3 LYS 26 - HE2 LYS 31 far 0 89 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 84 0 - 5.7-10.5 QB ALA 21 - HE3 LYS 24 far 0 75 0 - 5.7-11.2 HG3 LYS 26 - HE2 LYS 24 far 0 79 0 - 5.9-12.5 QB ALA 21 - HE2 LYS 24 far 0 66 0 - 5.9-11.2 HB2 LEU 42 - HE3 LYS 36 far 0 92 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 88 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 84 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 68 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 85 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 67 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 59 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 88 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 89 0 - 6.6-12.6 QB ALA 21 - HE2 LYS 19 far 0 72 0 - 6.7-9.5 QB ALA 29 - HE2 LYS 24 far 0 81 0 - 6.8-17.3 QB ALA 21 - HE3 LYS 31 far 0 75 0 - 6.9-21.1 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 86 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 89 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 75 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 94 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 89 0 - 7.1-23.8 QB ALA 21 - HE2 LYS 26 far 0 75 0 - 7.2-16.5 QB ALA 12 - HE3 LYS 31 far 0 99 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 64 0 - 7.3-20.3 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 67 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 89 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 100 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 77 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 90 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 86 0 - 7.9-20.7 QB ALA 21 - HE2 LYS 31 far 0 76 0 - 8.0-20.1 QB ALA 21 - HE3 LYS 26 far 0 75 0 - 8.0-15.1 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.3-20.9 HG2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.4-18.7 QB ALA 46 - HE2 LYS 36 far 0 70 0 - 8.4-12.8 QB ALA 12 - HE2 LYS 26 far 0 99 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 100 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 92 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 89 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 67 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 90 0 - 8.8-13.8 QB ALA 46 - HE3 LYS 36 far 0 75 0 - 8.9-13.0 HG3 LYS 31 - HE2 LYS 36 far 0 63 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 88 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 88 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 99 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 83 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 99 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 330 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 3.92 A): 12 out of 62 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 2.0-4.2 4.0=96, 484/6.4=23...(17) HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-4.2 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 2.3-4.2 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 92 94 100 98 2.1-4.0 4.0=96, 484/6.4=23...(17) HG3 LYS 36 + HE3 LYS 36 OK 74 75 100 98 2.1-4.0 4.0=94, 3.0/1064=28...(17) HG2 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.4-3.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 69 70 100 98 2.5-3.9 4.0=94, 3.0/1064=22...(17) HG13 ILE 32 + HE2 LYS 31 OK 23 100 30 78 2.7-10.2 10757/6.5=17...(19) HG13 ILE 32 - HE3 LYS 31 poor 20 99 20 - 3.5-9.5 HG13 ILE 32 - HE2 LYS 26 far 15 99 15 - 3.8-14.7 QB ALA 34 - HE2 LYS 26 poor 14 70 20 - 3.0-18.9 HG13 ILE 32 - HE3 LYS 26 far 10 99 10 - 3.9-14.0 QB ALA 34 - HE3 LYS 26 far 7 70 10 - 2.6-18.8 HG3 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.0-12.7 HG2 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.3-16.8 HG3 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.4-11.8 QB ALA 34 - HE3 LYS 19 far 4 71 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 67 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 3 62 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 31 far 0 71 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 75 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 96 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 96 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 70 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 65 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 70 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 75 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 94 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 88 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 75 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 76 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 99 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 97 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 99 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 93 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 98 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 91 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 93 0 - 9.8-20.6 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 102 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 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 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 97 5 - 3.7-14.5 HG3 ARG 23 - HE2 LYS 26 far 4 75 5 - 2.6-14.6 HG3 ARG 23 - HE3 LYS 26 far 4 75 5 - 4.1-12.9 HG3 ARG 23 - HE3 LYS 24 far 4 75 5 - 4.2-10.4 HG3 ARG 23 - HE2 LYS 24 far 3 66 5 - 3.6-11.2 HG3 ARG 23 - HE2 LYS 31 far 0 76 0 - 4.4-22.5 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 90 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 80 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 80 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 80 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.6-12.9 HG3 ARG 23 - HE3 LYS 31 far 0 75 0 - 5.7-21.0 HD2 LYS 36 - HE3 LYS 31 far 0 80 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 88 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 88 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.2-16.5 HG3 ARG 23 - HE3 LYS 19 far 0 76 0 - 6.2-14.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 81 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 94 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 80 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 93 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 7.8-17.1 HG3 ARG 23 - HE2 LYS 19 far 0 72 0 - 7.8-15.0 HB2 LEU 69 - HE2 LYS 36 far 0 77 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 81 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 81 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 95 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 90 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 81 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 93 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 76 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 76 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 96 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 71 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.9-20.9 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 102 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 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 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 97 5 - 3.7-14.5 HG3 ARG 23 - HE2 LYS 26 far 4 75 5 - 2.6-14.6 HG3 ARG 23 - HE3 LYS 26 far 4 75 5 - 4.1-12.9 HG3 ARG 23 - HE3 LYS 24 far 4 75 5 - 4.2-10.4 HG3 ARG 23 - HE2 LYS 24 far 3 66 5 - 3.6-11.2 HG3 ARG 23 - HE2 LYS 31 far 0 76 0 - 4.4-22.5 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 90 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 80 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 80 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 80 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.6-12.9 HG3 ARG 23 - HE3 LYS 31 far 0 75 0 - 5.7-21.0 HD2 LYS 36 - HE3 LYS 31 far 0 80 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 88 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 88 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.2-16.5 HG3 ARG 23 - HE3 LYS 19 far 0 76 0 - 6.2-14.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 81 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 94 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 80 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 93 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 7.8-17.1 HG3 ARG 23 - HE2 LYS 19 far 0 72 0 - 7.8-15.0 HB2 LEU 69 - HE2 LYS 36 far 0 77 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 81 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 81 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 95 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 90 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 81 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 93 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 76 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 76 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 96 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 71 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.9-20.9 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 9 assignments used, quality = 1.00: * H VAL 20 + HA VAL 20 OK 100 100 100 100 2.8-2.9 3.0=100 H CYS 125 + HB2 SER 124 OK 71 72 100 98 2.6-3.6 4.5=68, 3.4/7769=60...(8) H LEU 48 - HB3 SER 51 far 0 58 0 - 5.3-6.8 H LEU 48 - HA SER 50 far 0 78 0 - 6.6-7.2 H ASN 120 - HB2 SER 124 far 0 83 0 - 7.5-9.0 H CYS 125 - HA SER 50 far 0 74 0 - 7.6-8.9 H ASN 120 - HA SER 50 far 0 85 0 - 8.4-10.1 H SER 130 - HA SER 50 far 0 55 0 - 9.0-10.8 H SER 130 - HB2 SER 124 far 0 53 0 - 9.8-10.6 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 14 assignments used, quality = 1.00: * HB VAL 20 + HA VAL 20 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 53 + HA SER 50 OK 89 92 100 97 2.2-4.7 3.1/9218=55, 1653=55...(12) HB2 GLU 91 - HB3 SER 94 far 0 39 0 - 6.0-8.0 HB3 MET 11 - HA VAL 20 far 0 81 0 - 6.6-22.1 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.6-8.2 HG2 ARG 90 - HB3 SER 94 far 0 27 0 - 6.8-9.3 HB2 GLU 55 - HB3 SER 51 far 0 68 0 - 7.0-8.8 HB3 GLU 30 - HA VAL 20 far 0 87 0 - 7.2-18.7 HB2 GLU 55 - HA SER 50 far 0 89 0 - 8.9-10.6 HB3 LEU 53 - HB2 SER 124 far 0 90 0 - 9.0-10.8 HB3 PRO 117 - HB2 SER 124 far 0 91 0 - 9.1-11.2 HB ILE 129 - HA SER 50 far 0 95 0 - 9.2-11.4 HB ILE 129 - HB2 SER 124 far 0 93 0 - 9.4-10.8 HB2 GLU 44 - HB3 SER 51 far 0 51 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 339 from cnoeabs.peaks (0.91, 3.99, 62.40 ppm; 3.38 A): 6 out of 21 assignments used, quality = 1.00: * QG1 VAL 20 + HA VAL 20 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 VAL 20 + HA VAL 20 OK 90 90 100 100 2.1-3.2 3.2=100 QD1 LEU 123 + HA SER 50 OK 72 74 100 98 1.9-4.2 11772=74, 2.1/11636=58...(22) QD2 LEU 123 + HA SER 50 OK 66 67 100 98 1.8-4.2 2.1/11772=69, 11636=53...(24) QD1 LEU 49 + HA SER 50 OK 29 94 35 89 2.5-6.0 6622/2.9=18, 1581/4.8=18...(24) QD2 LEU 48 + HB3 SER 51 OK 27 74 50 72 3.3-5.6 10961/1.8=47...(5) QD1 LEU 123 - HB2 SER 124 far 4 72 5 - 4.3-5.4 QD1 LEU 22 - HA VAL 20 far 0 95 0 - 4.8-7.1 QD1 LEU 48 - HB3 SER 51 far 0 61 0 - 5.1-7.0 QD2 LEU 123 - HB2 SER 124 far 0 65 0 - 5.7-6.9 QD2 LEU 123 - HB3 SER 51 far 0 49 0 - 6.0-8.4 QD1 LEU 48 - HA SER 50 far 0 82 0 - 6.1-8.7 QD1 LEU 123 - HB3 SER 51 far 0 54 0 - 6.2-8.7 QD1 LEU 49 - HB3 SER 51 far 0 73 0 - 6.2-8.2 QD2 LEU 48 - HA SER 50 far 0 95 0 - 6.3-7.1 QD1 LEU 62 - HA SER 50 far 0 93 0 - 6.5-9.0 QD1 LEU 49 - HB2 SER 124 far 0 92 0 - 7.0-10.7 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 7.7-9.4 QG1 VAL 118 - HA SER 50 far 0 92 0 - 8.6-10.8 QD1 LEU 62 - HB3 SER 51 far 0 72 0 - 8.6-10.9 QD1 LEU 62 - HB2 SER 124 far 0 91 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 340 from cnoeabs.peaks (0.89, 3.99, 62.40 ppm; 3.51 A): 5 out of 24 assignments used, quality = 1.00: * QG2 VAL 20 + HA VAL 20 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 123 + HA SER 50 OK 92 92 100 100 1.8-4.2 11636=89, 2.1/11772=73...(25) QG1 VAL 20 + HA VAL 20 OK 90 90 100 100 2.3-3.2 3.2=100 QD2 LEU 48 + HB3 SER 51 OK 27 59 65 71 3.3-5.6 10961/1.8=41...(5) QD1 LEU 49 + HA SER 50 OK 23 72 35 90 2.5-6.0 ~6619=18, ~6620=18...(25) QD2 LEU 98 - HB3 SER 94 poor 8 33 25 - 3.5-5.9 QD1 LEU 22 - HA VAL 20 far 0 100 0 - 4.8-7.1 QD2 LEU 123 - HB2 SER 124 far 0 91 0 - 5.7-6.9 QD2 LEU 69 - HA SER 50 far 0 70 0 - 6.0-8.0 QD2 LEU 123 - HB3 SER 51 far 0 71 0 - 6.0-8.4 QD1 LEU 49 - HB3 SER 51 far 0 52 0 - 6.2-8.2 QD2 LEU 48 - HA SER 50 far 0 80 0 - 6.3-7.1 QG2 VAL 57 - HB3 SER 51 far 0 37 0 - 6.4-8.0 QD1 LEU 62 - HA SER 50 far 0 70 0 - 6.5-9.0 QD1 LEU 49 - HB2 SER 124 far 0 70 0 - 7.0-10.7 QG2 VAL 57 - HA SER 50 far 0 52 0 - 7.1-8.0 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 7.7-9.4 QD2 LEU 98 - HB2 SER 124 far 0 81 0 - 7.7-10.6 QD2 LEU 69 - HB3 SER 51 far 0 51 0 - 8.4-9.8 QG1 VAL 118 - HA SER 50 far 0 92 0 - 8.6-10.8 QD1 LEU 62 - HB3 SER 51 far 0 51 0 - 8.6-10.9 QD1 LEU 98 - HB2 SER 124 far 0 51 0 - 8.7-12.3 QD2 LEU 69 - HB2 SER 124 far 0 68 0 - 9.2-11.2 QD1 LEU 62 - HB2 SER 124 far 0 68 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 341 from cnoeabs.peaks (8.31, 3.99, 62.40 ppm; 2.94 A): 1 out of 9 assignments used, quality = 1.00: * H ALA 21 + HA VAL 20 OK 100 100 100 100 3.0-3.6 6176=100, 6173/3.0=44...(11) H LEU 49 - HA SER 50 far 0 94 0 - 5.1-5.4 H VAL 126 - HB2 SER 124 far 0 78 0 - 5.2-5.9 H LEU 49 - HB3 SER 51 far 0 73 0 - 5.5-6.4 H GLY 17 - HA VAL 20 far 0 96 0 - 6.2-10.0 H ALA 28 - HA VAL 20 far 0 85 0 - 6.5-16.2 H VAL 126 - HA SER 50 far 0 80 0 - 6.8-8.2 H SER 99 - HB3 SER 94 far 0 32 0 - 7.4-9.2 H SER 99 - HB2 SER 124 far 0 80 0 - 8.9-11.3 Violated in 20 structures by 0.27 A. Peak 342 from cnoeabs.peaks (8.06, 2.00, 32.56 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 20 + HB VAL 20 OK 100 100 100 100 2.7-3.6 6170=100, 348/2.1=61...(7) Violated in 3 structures by 0.04 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 2.3-3.0 3.0=100 HA2 GLY 17 - HB VAL 20 poor 12 60 20 - 3.0-8.3 HA3 GLY 17 - HB VAL 20 far 9 60 15 - 3.7-9.0 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 - 4.3-8.7 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 3 assignments used, quality = 1.00: * QG2 VAL 20 + HB VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 + HB VAL 20 OK 90 90 100 100 2.1-2.1 2.1=100 QD1 LEU 22 - HB VAL 20 far 0 100 0 - 4.3-8.7 Violated in 0 structures by 0.00 A. Peak 347 from cnoeabs.peaks (8.31, 2.00, 32.56 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 21 + HB VAL 20 OK 100 100 100 100 1.9-4.0 6177=100, 6176/3.0=74...(10) H GLY 17 - HB VAL 20 far 0 96 0 - 5.6-10.2 H ALA 28 - HB VAL 20 far 0 85 0 - 8.9-18.9 Violated in 17 structures by 0.12 A. Peak 348 from cnoeabs.peaks (8.06, 0.91, 20.62 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 20 + QG1 VAL 20 OK 99 100 100 99 1.8-2.9 6170/2.1=75, 6171=55...(12) H TYR 76 - QG1 VAL 20 far 0 83 0 - 7.1-27.3 H CYS 79 - QG1 VAL 20 far 0 83 0 - 7.4-29.5 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 4 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.3-3.2 3.2=100 HA3 GLY 17 - QG1 VAL 20 poor 18 60 30 - 3.4-7.3 HA2 GLY 17 - QG1 VAL 20 poor 11 60 45 39 2.8-6.9 1.8/10668=14, 10668=14...(4) HA ILE 37 - QG1 VAL 20 far 0 57 0 - 9.9-23.7 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 4 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 - 4.1-17.5 HB3 GLU 30 - QG1 VAL 20 far 0 87 0 - 6.2-17.6 HG2 ARG 90 - QG1 VAL 20 far 0 81 0 - 9.8-33.8 Violated in 0 structures by 0.00 A. Peak 351 from cnoeabs.peaks (0.91, 0.91, 20.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 20 + QG1 VAL 20 OK 100 100 - 100 Peak 352 from cnoeabs.peaks (0.89, 0.91, 20.62 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 20 + QG1 VAL 20 OK 90 90 - 100 Reference assignment not found: QG2 VAL 20 - QG1 VAL 20 Peak 353 from cnoeabs.peaks (8.31, 0.91, 20.62 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 21 + QG1 VAL 20 OK 100 100 100 100 1.7-4.2 6177/2.1=71, 6176/3.2=71...(13) H GLY 17 - QG1 VAL 20 far 14 96 15 - 3.6-7.6 H ALA 28 - QG1 VAL 20 far 0 85 0 - 6.6-15.9 Violated in 17 structures by 0.22 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 1.9-4.0 6170/2.1=93, 4.0=93...(10) H CYS 79 - QG2 VAL 20 far 0 83 0 - 8.0-30.6 H TYR 76 - QG2 VAL 20 far 0 83 0 - 8.8-28.4 Violated in 1 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 2.1-3.2 3.2=100 HA2 GLY 17 - QG2 VAL 20 far 3 60 5 - 3.5-8.8 HA3 GLY 17 - QG2 VAL 20 far 3 60 5 - 4.2-9.4 HA ILE 37 - QG2 VAL 20 far 0 57 0 - 9.5-24.1 HA GLN 68 - QG2 VAL 20 far 0 100 0 - 9.6-26.8 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 3 assignments used, quality = 1.00: * HB VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 MET 11 - QG2 VAL 20 far 0 81 0 - 5.8-18.9 HB3 GLU 30 - QG2 VAL 20 far 0 87 0 - 5.9-17.8 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 3 assignments used, quality = 1.00: * H ALA 21 + QG2 VAL 20 OK 100 100 100 100 2.0-4.4 4.3=100 H GLY 17 - QG2 VAL 20 far 5 96 5 - 3.1-9.2 H ALA 28 - QG2 VAL 20 far 4 85 5 - 5.7-15.3 Violated in 0 structures by 0.00 A. Peak 360 from cnoeabs.peaks (8.31, 4.29, 52.41 ppm; 2.83 A): 6 out of 13 assignments used, quality = 1.00: * H ALA 21 + HA ALA 21 OK 97 100 100 97 2.3-2.9 3.0=88, 6181/2.1=59...(5) H ALA 110 + HA ALA 110 OK 68 71 100 95 2.3-2.9 3.0=88, 7573/2.1=33...(9) H GLY 111 + HA ALA 110 OK 62 72 100 85 2.2-3.6 7577=66, 7578/2.1=29...(11) H ALA 110 + HA ALA 109 OK 55 80 100 68 2.1-3.6 3.6=50, 7571/2.1=24...(7) H GLY 17 + HA ALA 16 OK 46 65 100 70 2.1-3.6 3.6=50, 6127/3.0=31...(4) H GLY 111 + HA ALA 109 OK 24 82 55 54 3.2-5.1 10121/11771=18...(9) H ALA 110 - HA ALA 108 poor 12 49 25 - 3.3-6.5 H GLY 111 - HA ALA 108 far 3 50 5 - 3.6-7.8 H GLY 17 - HA ALA 15 far 0 91 0 - 4.1-6.3 H GLY 17 - HA ALA 21 far 0 96 0 - 5.8-9.5 H ALA 21 - HA ALA 16 far 0 73 0 - 6.2-9.9 H GLY 17 - HA ALA 12 far 0 93 0 - 6.5-15.7 H ALA 21 - HA ALA 15 far 0 97 0 - 8.0-12.6 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 5 48 10 - 2.8-8.6 QB ALA 21 - HA ALA 16 far 0 73 0 - 4.7-8.5 QB ALA 12 - HA ALA 15 far 0 81 0 - 4.9-9.6 HG2 LYS 19 - HA ALA 21 far 0 76 0 - 6.0-8.5 HG2 LYS 19 - HA ALA 15 far 0 70 0 - 6.3-11.0 HG2 LYS 19 - HA ALA 12 far 0 73 0 - 6.7-20.0 QB ALA 21 - HA ALA 15 far 0 97 0 - 7.0-11.8 QB ALA 12 - HA ALA 16 far 0 57 0 - 7.0-12.2 QB ALA 21 - HA ALA 12 far 0 99 0 - 8.8-17.6 QB ALA 12 - HA ALA 21 far 0 87 0 - 10.0-18.9 Violated in 0 structures by 0.00 A. Peak 363 from cnoeabs.peaks (8.15, 4.29, 52.41 ppm; 2.86 A): 2 out of 9 assignments used, quality = 0.99: H ALA 15 + HA ALA 15 OK 90 96 100 94 2.3-2.9 3.0=91, 6122/3.6=21...(5) * H LEU 22 + HA ALA 21 OK 87 100 100 87 2.9-3.4 6186/2.1=55, 6185=52...(5) H ALA 15 - HA ALA 16 far 0 71 0 - 4.2-5.9 H ALA 15 - HA ALA 12 far 0 98 0 - 5.5-9.8 H LEU 22 - HA ALA 16 far 0 73 0 - 7.1-12.0 H ALA 15 - HA ALA 21 far 0 99 0 - 8.7-15.1 H ASP 71 - HA ALA 16 far 0 67 0 - 9.7-34.3 H ILE 32 - HA ALA 16 far 0 69 0 - 9.8-26.0 H LEU 22 - HA ALA 15 far 0 97 0 - 9.8-14.8 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 2.2-2.9 2.9=100 H GLY 17 - QB ALA 21 far 10 96 10 - 3.4-7.3 H GLY 17 - QB ALA 12 far 0 53 0 - 6.6-13.5 H ALA 28 - QB ALA 21 far 0 85 0 - 7.9-15.8 H ALA 21 - QB ALA 12 far 0 60 0 - 8.7-17.9 H TYR 72 - QB ALA 12 far 0 51 0 - 9.3-35.8 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 19 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 28 100 85 33 1.8-5.6 10686=11, 3.0/10670=9...(5) HA LEU 22 - QB ALA 21 far 0 78 0 - 4.3-4.4 HA LYS 19 - QB ALA 21 far 0 76 0 - 4.5-6.0 HA ALA 16 - QB ALA 21 far 0 93 0 - 4.7-8.5 HA ALA 15 - QB ALA 12 far 0 59 0 - 4.9-9.6 HA ARG 23 - QB ALA 21 far 0 100 0 - 6.2-7.0 HA THR 18 - QB ALA 12 far 0 60 0 - 6.4-15.6 HA LYS 19 - QB ALA 12 far 0 38 0 - 6.7-17.3 HA ALA 15 - QB ALA 21 far 0 100 0 - 7.0-11.8 HA ALA 16 - QB ALA 12 far 0 51 0 - 7.0-12.2 HA LYS 31 - QB ALA 21 far 0 95 0 - 7.3-20.0 HA ALA 12 - QB ALA 21 far 0 100 0 - 8.8-17.6 HA THR 25 - QB ALA 21 far 0 100 0 - 8.9-11.5 HA LYS 26 - QB ALA 21 far 0 81 0 - 9.0-12.4 HA2 GLY 75 - QB ALA 21 far 0 63 0 - 9.3-29.7 HA LYS 31 - QB ALA 12 far 0 52 0 - 9.8-28.1 HA ALA 21 - QB ALA 12 far 0 60 0 - 10.0-18.9 Violated in 0 structures by 0.00 A. Peak 366 from cnoeabs.peaks (1.34, 1.34, 18.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 21 + QB ALA 21 OK 100 100 - 100 QB ALA 12 + QB ALA 12 OK 46 46 - 100 Peak 367 from cnoeabs.peaks (8.15, 1.34, 18.98 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 22 + QB ALA 21 OK 100 100 100 100 3.1-3.7 6186=100, 6184/6181=49...(6) H ALA 15 - QB ALA 12 far 3 58 5 - 3.6-8.9 H ALA 15 - QB ALA 21 far 0 99 0 - 6.6-12.0 H ASP 71 - QB ALA 12 far 0 54 0 - 8.2-35.6 H LEU 22 - QB ALA 12 far 0 60 0 - 9.4-19.9 H ILE 32 - QB ALA 21 far 0 99 0 - 9.7-18.3 Violated in 11 structures by 0.11 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 - 8.9-21.9 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 2.6-3.0 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 2.3-2.9 2.9=100 HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.3 2.1/401=78, 2.1/409=69...(21) HG3 ARG 23 - HA LEU 22 far 5 98 5 - 4.4-6.9 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 2.3-2.9 2.9=100 * HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.3 2.1/401=78, 2.1/409=70...(21) HG3 ARG 23 - HA LEU 22 far 5 98 5 - 4.4-6.9 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 2 assignments used, quality = 1.00: * QD2 LEU 22 + HA LEU 22 OK 100 100 100 100 1.8-3.4 401=100, 2.1/409=57...(21) QG2 ILE 32 - HA LEU 22 far 0 95 0 - 6.0-19.9 Violated in 1 structures by 0.01 A. Peak 374 from cnoeabs.peaks (0.89, 4.27, 55.17 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 22 + HA LEU 22 OK 100 100 100 100 1.9-4.0 409=100, 2.1/401=85...(25) QG2 VAL 20 - HA LEU 22 far 10 100 10 - 4.0-6.8 QG1 VAL 20 - HA LEU 22 far 0 95 0 - 5.9-7.6 QD1 LEU 48 - HA LEU 22 far 0 60 0 - 9.4-31.9 Violated in 2 structures by 0.03 A. Peak 375 from cnoeabs.peaks (8.24, 4.27, 55.17 ppm; 2.55 A): 1 out of 5 assignments used, quality = 0.84: * H ARG 23 + HA LEU 22 OK 84 100 100 84 2.2-3.1 6196=55, 6197/2.9=27...(12) H LYS 31 - HA LEU 22 far 0 96 0 - 7.5-20.5 H GLU 30 - HA LEU 22 far 0 89 0 - 8.6-19.4 H ALA 29 - HA LEU 22 far 0 100 0 - 8.7-18.1 H SER 33 - HA LEU 22 far 0 95 0 - 9.2-24.6 Violated in 19 structures by 0.33 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 2.9-3.8 6188=100, 6189/1.8=93...(24) H ILE 32 - HB2 LEU 22 far 0 99 0 - 7.0-20.5 H VAL 133 - HB3 LEU 42 far 0 98 0 - 7.9-9.0 H ASP 71 - HB3 LEU 42 far 0 93 0 - 8.0-9.5 Violated in 1 structures by 0.01 A. Peak 377 from cnoeabs.peaks (4.27, 1.54, 42.22 ppm; 3.56 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.6-3.0 2.9=100 HA ARG 23 + HB2 LEU 22 OK 30 87 35 98 4.3-5.1 2.9/6197=55...(21) HA LYS 31 - HB2 LEU 22 far 10 98 10 - 4.2-22.1 HA THR 18 - HB2 LEU 22 far 4 73 5 - 4.5-10.7 HA GLN 27 - HB2 LEU 22 far 0 73 0 - 4.7-13.5 HA THR 25 - HB2 LEU 22 far 0 76 0 - 4.8-9.8 HA LYS 19 - HB2 LEU 22 far 0 100 0 - 5.0-9.6 HA LYS 26 - HB2 LEU 22 far 0 100 0 - 5.6-10.7 HA ALA 21 - HB2 LEU 22 far 0 78 0 - 5.6-6.3 HA LYS 36 - HB3 LEU 42 far 0 97 0 - 7.0-10.6 HA ALA 16 - HB2 LEU 22 far 0 99 0 - 8.2-14.5 HA SER 74 - HB3 LEU 42 far 0 72 0 - 9.0-11.2 HA GLN 61 - HB2 LEU 22 far 0 95 0 - 9.7-42.0 Violated in 0 structures by 0.00 A. Peak 378 from cnoeabs.peaks (1.54, 1.54, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + HB2 LEU 22 OK 100 100 - 100 HB3 LEU 42 + HB3 LEU 42 OK 98 98 - 100 Peak 379 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 22 + HB2 LEU 22 OK 96 100 100 96 2.3-3.0 3.0=59, 2.1/402=42...(18) HG LEU 43 - HB3 LEU 42 far 0 65 0 - 4.7-5.5 HG3 ARG 23 - HB2 LEU 22 far 0 98 0 - 6.1-7.8 HG LEU 70 - HB3 LEU 42 far 0 98 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 380 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 * HG LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 43 + HB3 LEU 42 OK 50 65 80 97 4.7-5.5 ~11903=52, 4.6/6501=45...(8) HG3 ARG 23 - HB2 LEU 22 far 0 98 0 - 6.1-7.8 HG LEU 70 - HB3 LEU 42 far 0 98 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 381 from cnoeabs.peaks (0.84, 1.54, 42.22 ppm; 4.01 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 133 + HB3 LEU 42 OK 68 98 70 100 4.4-5.4 10585/3.1=65...(27) QG2 ILE 32 - HB2 LEU 22 far 5 95 5 - 3.7-18.7 QG2 ILE 129 - HB3 LEU 42 far 4 79 5 - 4.8-6.1 QD2 LEU 69 - HB3 LEU 42 far 0 59 0 - 5.5-8.0 HG13 ILE 80 - HB3 LEU 42 far 0 83 0 - 7.1-10.9 QG2 ILE 32 - HB3 LEU 42 far 0 91 0 - 7.6-12.6 QD2 LEU 70 - HB3 LEU 42 far 0 88 0 - 8.6-10.4 QG2 ILE 80 - HB3 LEU 42 far 0 59 0 - 8.6-10.5 QD1 LEU 70 - HB3 LEU 42 far 0 72 0 - 8.7-11.4 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 8 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.9-3.2 3.1=100 QG2 VAL 20 - HB2 LEU 22 far 15 100 15 - 3.1-7.8 QG1 VAL 20 - HB2 LEU 22 far 5 95 5 - 4.4-8.3 QD2 LEU 69 - HB3 LEU 42 far 0 67 0 - 5.5-8.0 QD1 LEU 49 - HB3 LEU 42 far 0 83 0 - 8.0-12.0 QD1 LEU 48 - HB3 LEU 42 far 0 57 0 - 8.6-11.0 QD1 LEU 48 - HB2 LEU 22 far 0 60 0 - 9.8-31.0 QG2 VAL 63 - HB2 LEU 22 far 0 90 0 - 10.0-35.3 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 3.8-4.4 6197=100, 375/2.9=91...(16) H LYS 31 - HB2 LEU 22 far 10 96 10 - 4.9-19.6 H SER 33 - HB2 LEU 22 far 0 95 0 - 6.4-23.4 H GLU 30 - HB2 LEU 22 far 0 89 0 - 6.8-18.3 H ALA 29 - HB2 LEU 22 far 0 100 0 - 7.8-17.9 H ASP 131 - HB3 LEU 42 far 0 67 0 - 9.5-10.8 Violated in 1 structures by 0.00 A. Peak 384 from cnoeabs.peaks (8.15, 1.62, 42.22 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.8-3.9 6190=100, 6188/1.8=80...(20) H ASN 121 - HB2 LEU 122 far 0 40 0 - 4.6-6.5 H ILE 32 - HB3 LEU 22 far 0 99 0 - 8.2-21.1 H ASP 71 - HB2 LEU 122 far 0 66 0 - 10.0-12.9 Violated in 2 structures by 0.03 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 2.3-2.9 2.9=100 HA THR 18 - HB3 LEU 22 poor 15 73 20 - 2.8-10.0 HA ALA 21 - HB3 LEU 22 far 0 78 0 - 4.7-6.2 HA LYS 31 - HB3 LEU 22 far 0 98 0 - 5.1-23.2 HA ARG 23 - HB3 LEU 22 far 0 87 0 - 5.2-6.0 HA LYS 19 - HB3 LEU 22 far 0 100 0 - 5.3-8.8 HA GLN 27 - HB3 LEU 22 far 0 73 0 - 5.8-14.8 HA THR 25 - HB3 LEU 22 far 0 76 0 - 6.4-10.7 HA LYS 26 - HB3 LEU 22 far 0 100 0 - 7.4-12.0 HA SER 124 - HB2 LEU 122 far 0 40 0 - 7.6-8.5 HA ALA 16 - HB3 LEU 22 far 0 99 0 - 7.9-14.2 Violated in 0 structures by 0.00 A. Peak 386 from cnoeabs.peaks (1.54, 1.62, 42.22 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 49 - HB2 LEU 122 far 0 38 0 - 4.8-8.9 HB2 LEU 53 - HB2 LEU 122 far 0 48 0 - 5.2-10.1 HB2 LEU 119 - HB2 LEU 122 far 0 73 0 - 5.6-8.3 HG LEU 103 - HB2 LEU 122 far 0 65 0 - 6.2-9.8 HG LEU 123 - HB2 LEU 122 far 0 48 0 - 6.4-8.4 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 8 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 69 - HB2 LEU 122 poor 8 38 20 - 4.9-8.0 QG2 ILE 32 - HB3 LEU 22 far 5 95 5 - 4.8-19.4 QD2 LEU 70 - HB2 LEU 122 lone 5 61 50 15 4.4-7.4 11115/11792=11...(3) QD1 LEU 70 - HB2 LEU 122 far 0 48 0 - 5.8-9.8 QD1 LEU 98 - HB2 LEU 122 far 0 52 0 - 7.7-10.1 QG2 ILE 129 - HB2 LEU 122 far 0 53 0 - 8.1-10.7 QG2 VAL 57 - HB2 LEU 122 far 0 52 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 390 from cnoeabs.peaks (0.89, 1.62, 42.22 ppm; 3.62 A): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB2 LEU 122 OK 33 71 50 92 2.5-5.2 11748/3.5=36...(23) QG2 VAL 20 - HB3 LEU 22 far 15 100 15 - 3.1-7.6 QD1 LEU 49 - HB2 LEU 122 far 9 57 15 - 3.8-7.7 QD2 LEU 123 - HB2 LEU 122 far 3 68 5 - 4.4-7.3 QD1 LEU 62 - HB2 LEU 122 far 0 55 0 - 4.7-7.4 QG1 VAL 20 - HB3 LEU 22 far 0 95 0 - 4.9-8.3 QD2 LEU 69 - HB2 LEU 122 far 0 44 0 - 4.9-8.0 QG2 VAL 63 - HB2 LEU 122 far 0 60 0 - 6.6-8.2 QD2 LEU 98 - HB2 LEU 122 far 0 57 0 - 7.5-9.9 QD1 LEU 48 - HB2 LEU 122 far 0 37 0 - 8.4-12.6 QD2 LEU 48 - HB2 LEU 122 far 0 63 0 - 8.5-11.8 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 7 assignments used, quality = 1.00: * H ARG 23 + HB3 LEU 22 OK 100 100 100 100 4.1-4.6 4.6=97, 6197/1.8=97...(15) H LEU 123 + HB2 LEU 122 OK 63 63 100 100 2.3-4.2 4.3=100 H LEU 96 - HB2 LEU 122 far 0 37 0 - 5.6-8.5 H LYS 31 - HB3 LEU 22 far 0 96 0 - 6.4-20.6 H SER 33 - HB3 LEU 22 far 0 95 0 - 7.3-24.1 H GLU 30 - HB3 LEU 22 far 0 89 0 - 8.0-19.6 H ALA 29 - HB3 LEU 22 far 0 100 0 - 9.1-19.3 Violated in 0 structures by 0.00 A. Peak 392 from cnoeabs.peaks (8.15, 1.62, 26.78 ppm; 4.27 A): 3 out of 11 assignments used, quality = 0.94: H ASP 71 + HG LEU 70 OK 77 81 95 100 2.4-5.2 2275/2.1=56, 3.4/6949=52...(20) * H LEU 22 + HG LEU 22 OK 65 100 65 100 2.7-5.2 6189/3.0=87, 6188/3.0=78...(14) H LEU 22 + HG3 ARG 23 OK 31 83 45 83 3.6-7.0 10728/3.8=61...(12) H ASN 121 - HG LEU 122 poor 16 40 55 71 3.9-7.3 ~10323=22, 10321/2.1=18...(12) H ASN 121 - HG LEU 119 far 0 51 0 - 5.4-6.6 H ILE 32 - HG3 ARG 23 far 0 79 0 - 5.6-22.4 H ILE 32 - HG LEU 22 far 0 99 0 - 8.3-22.6 H ALA 15 - HG LEU 70 far 0 85 0 - 8.8-39.8 H VAL 133 - HG3 ARG 84 far 0 57 0 - 9.2-12.7 H VAL 133 - HG2 ARG 84 far 0 57 0 - 9.5-13.4 H GLU 91 - HG3 ARG 84 far 0 37 0 - 9.7-12.7 Violated in 5 structures by 0.02 A. Peak 393 from cnoeabs.peaks (4.27, 1.62, 26.78 ppm; 4.45 A): 4 out of 33 assignments used, quality = 1.00: * HA LEU 22 + HG LEU 22 OK 100 100 100 100 2.2-4.3 4.3=100 HA ARG 23 + HG3 ARG 23 OK 66 66 100 100 3.1-4.2 3.8=100 HA ARG 84 + HG2 ARG 84 OK 41 41 100 100 2.3-4.0 3.9=100 HA ARG 84 + HG3 ARG 84 OK 41 41 100 100 2.3-4.0 3.9=100 HA LEU 22 - HG3 ARG 23 poor 16 83 25 78 4.4-6.9 375/5.0=58, 444/1.8=25...(8) HA THR 18 - HG LEU 22 far 11 73 15 - 5.0-12.5 HA LYS 19 - HG LEU 22 far 10 100 10 - 4.7-11.0 HA ALA 21 - HG3 ARG 23 far 9 58 15 - 4.4-9.0 HA ALA 21 - HG LEU 22 far 8 78 10 - 4.3-7.1 HA LYS 19 - HG3 ARG 23 far 4 83 5 - 4.6-13.3 HA GLN 27 - HG LEU 22 far 4 73 5 - 3.8-15.8 HA THR 25 - HG3 ARG 23 far 3 56 5 - 5.2-8.8 HA THR 18 - HG3 ARG 23 far 3 54 5 - 5.3-12.1 HA THR 25 - HG LEU 22 far 0 76 0 - 5.6-11.8 HA LYS 31 - HG LEU 22 far 0 98 0 - 5.7-24.5 HA LYS 26 - HG3 ARG 23 far 0 83 0 - 5.9-10.2 HA ARG 23 - HG LEU 22 far 0 87 0 - 6.0-7.4 HA GLN 27 - HG3 ARG 23 far 0 54 0 - 6.0-13.0 HA LYS 31 - HG3 ARG 23 far 0 78 0 - 6.3-22.1 HB THR 115 - HG LEU 119 far 0 85 0 - 6.6-9.6 HA SER 74 - HG LEU 70 far 0 60 0 - 6.7-9.0 HA LYS 26 - HG LEU 22 far 0 100 0 - 6.7-12.9 HA PHE 87 - HG3 ARG 84 far 0 57 0 - 6.8-9.9 HA SER 124 - HG LEU 122 far 0 40 0 - 7.7-9.9 HA ALA 108 - HG LEU 119 far 0 83 0 - 7.7-15.2 HA PHE 87 - HG2 ARG 84 far 0 57 0 - 7.8-9.4 HA ALA 15 - HG3 ARG 23 far 0 67 0 - 8.0-18.8 HA ALA 110 - HG LEU 119 far 0 73 0 - 8.2-14.1 HA ALA 16 - HG3 ARG 23 far 0 79 0 - 8.2-17.9 HA ALA 109 - HG LEU 119 far 0 83 0 - 8.3-13.5 HA ALA 110 - HG LEU 22 far 0 90 0 - 9.1-50.6 HA ALA 16 - HG LEU 22 far 0 99 0 - 9.1-16.0 HA ALA 16 - HG LEU 70 far 0 84 0 - 9.5-37.3 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 15 assignments used, quality = 1.00: * HB2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 119 + HG LEU 119 OK 87 87 100 100 2.6-3.0 2.9=100 HB2 LEU 119 - HG LEU 122 poor 18 73 25 - 4.8-8.6 HG LEU 103 - HG LEU 119 poor 16 79 20 - 3.9-9.8 HG LEU 103 - HG LEU 122 far 7 65 10 - 4.2-9.3 HB2 LEU 53 - HG LEU 119 far 6 60 10 - 4.6-8.6 HB2 LEU 53 - HG LEU 122 far 0 48 0 - 5.9-11.7 HG LEU 49 - HG LEU 122 far 0 38 0 - 6.1-9.1 HB2 LEU 22 - HG3 ARG 23 far 0 83 0 - 6.1-7.8 HG LEU 123 - HG LEU 122 far 0 48 0 - 6.3-9.4 HG LEU 123 - HG LEU 119 far 0 60 0 - 7.9-10.2 HG LEU 49 - HG LEU 70 far 0 48 0 - 8.9-13.0 HB3 LEU 42 - HG LEU 70 far 0 87 0 - 9.9-13.1 HG LEU 103 - HG LEU 70 far 0 79 0 - 9.9-13.2 HG LEU 49 - HG LEU 119 far 0 48 0 - 10.0-13.0 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 24 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 VAL 57 - HG LEU 119 far 0 64 0 - 4.5-7.5 QD2 LEU 70 - HG LEU 122 far 0 61 0 - 4.7-7.5 QD2 LEU 22 - HG3 ARG 23 far 0 83 0 - 4.8-8.3 QG2 ILE 80 - HG2 ARG 84 far 0 29 0 - 5.0-7.7 QD2 LEU 69 - HG LEU 70 far 0 48 0 - 5.1-8.5 QD2 LEU 69 - HG LEU 122 far 0 38 0 - 5.3-8.9 QD1 LEU 98 - HG LEU 122 far 0 52 0 - 5.8-10.1 QG2 ILE 80 - HG3 ARG 84 far 0 29 0 - 5.8-7.7 QG2 ILE 32 - HG LEU 22 far 0 95 0 - 5.9-20.5 QD1 LEU 70 - HG LEU 122 far 0 48 0 - 6.2-9.8 HG13 ILE 80 - HG2 ARG 84 far 0 44 0 - 6.2-12.6 QD1 LEU 98 - HG LEU 70 far 0 64 0 - 6.3-10.7 QG2 ILE 32 - HG3 ARG 23 far 0 74 0 - 6.6-19.6 HG13 ILE 80 - HG3 ARG 84 far 0 44 0 - 6.7-12.4 QG2 ILE 129 - HG LEU 70 far 0 66 0 - 6.9-9.2 QG2 VAL 57 - HG LEU 122 far 0 52 0 - 7.7-11.1 QG2 ILE 129 - HG LEU 122 far 0 53 0 - 8.1-11.6 QG1 VAL 133 - HG2 ARG 84 far 0 56 0 - 8.7-12.8 QG1 VAL 133 - HG3 ARG 84 far 0 56 0 - 8.8-12.3 QD1 LEU 98 - HG LEU 119 far 0 64 0 - 9.5-14.9 QG2 ILE 32 - HG LEU 70 far 0 78 0 - 9.7-16.8 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 30 assignments used, quality = 1.00: * QD1 LEU 22 + HG LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 118 + HG LEU 122 OK 64 72 95 94 2.0-4.8 11748/4.6=29...(24) QD1 LEU 62 + HG LEU 119 OK 64 68 100 94 2.0-4.0 ~10992=42, 10954/3.7=28...(23) QG1 VAL 118 + HG LEU 119 OK 53 86 65 95 3.4-6.2 4.1/7654=42...(15) QG2 VAL 20 + HG3 ARG 23 OK 42 82 65 79 2.0-6.6 10727/3.8=15...(18) QG1 VAL 20 - HG3 ARG 23 poor 16 74 30 72 3.4-8.5 ~11844=16, ~10706=13...(17) QD1 LEU 49 - HG LEU 122 far 6 57 10 - 4.3-7.7 QD1 LEU 62 - HG LEU 122 far 6 55 10 - 4.0-7.2 QD1 LEU 22 - HG3 ARG 23 far 0 83 0 - 4.7-8.7 QD2 LEU 123 - HG LEU 122 far 0 68 0 - 4.7-8.0 QG2 VAL 20 - HG LEU 22 far 0 100 0 - 5.0-9.2 QD2 LEU 69 - HG LEU 70 far 0 55 0 - 5.1-8.5 QD2 LEU 69 - HG LEU 122 far 0 44 0 - 5.3-8.9 QD2 LEU 123 - HG LEU 119 far 0 82 0 - 5.4-8.6 QG2 VAL 63 - HG LEU 122 far 0 60 0 - 5.4-7.9 QG2 VAL 63 - HG LEU 119 far 0 73 0 - 5.9-9.1 QG2 VAL 112 - HG LEU 119 far 0 46 0 - 5.9-9.4 QG1 VAL 20 - HG LEU 22 far 0 95 0 - 6.2-9.6 QD2 LEU 98 - HG LEU 122 far 0 57 0 - 6.3-9.4 QD1 LEU 49 - HG LEU 70 far 0 70 0 - 6.3-10.7 QD1 LEU 49 - HG LEU 119 far 0 70 0 - 7.5-11.5 QG2 VAL 63 - HG LEU 70 far 0 73 0 - 7.9-9.6 QG1 VAL 118 - HG LEU 70 far 0 86 0 - 8.2-10.1 QD2 LEU 98 - HG LEU 70 far 0 70 0 - 8.4-10.2 QD1 LEU 48 - HG LEU 70 far 0 46 0 - 9.0-13.3 QD1 LEU 48 - HG LEU 22 far 0 60 0 - 9.3-32.8 QD1 LEU 48 - HG LEU 122 far 0 37 0 - 9.7-12.6 QG2 VAL 63 - HG LEU 22 far 0 90 0 - 9.7-36.7 QD2 LEU 48 - HG LEU 122 far 0 63 0 - 9.8-11.5 QD2 LEU 123 - HG LEU 70 far 0 82 0 - 10.0-14.0 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 16 assignments used, quality = 1.00: * H ARG 23 + HG LEU 22 OK 100 100 100 100 4.4-6.0 6197/3.0=94, 375/4.3=90...(14) H ARG 23 + HG3 ARG 23 OK 83 83 100 100 1.9-4.9 5.0=100 H LEU 123 + HG LEU 122 OK 63 63 100 100 2.3-5.2 3899/2.1=81, 7744/3.0=58...(19) H GLU 30 - HG3 ARG 23 far 7 67 10 - 5.8-18.6 H LEU 96 - HG LEU 122 far 5 37 15 - 5.6-8.7 H LYS 31 - HG LEU 22 far 5 96 5 - 5.9-22.1 H ALA 29 - HG3 ARG 23 far 4 82 5 - 3.7-18.7 H SER 107 - HG LEU 119 far 4 81 5 - 5.6-13.3 H LYS 31 - HG3 ARG 23 far 4 75 5 - 4.4-21.5 H GLU 30 - HG LEU 22 far 0 89 0 - 6.8-20.7 H LEU 123 - HG LEU 119 far 0 77 0 - 6.8-7.5 H LEU 96 - HG LEU 70 far 0 46 0 - 7.1-8.8 H ALA 29 - HG LEU 22 far 0 100 0 - 7.4-19.5 H SER 33 - HG3 ARG 23 far 0 74 0 - 8.4-24.1 H SER 33 - HG LEU 22 far 0 95 0 - 9.1-25.6 H SER 107 - HG LEU 122 far 0 67 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 400 from cnoeabs.peaks (8.15, 0.84, 23.38 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.8-4.6 6189/3.1=94, 2.9/401=93...(15) H ILE 32 - QD2 LEU 22 far 0 99 0 - 5.7-19.8 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 11 assignments used, quality = 1.00: * HA LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.8-3.4 373=90, 409/2.1=53...(21) HA LYS 19 - QD2 LEU 22 far 5 100 5 - 3.5-9.6 HA ARG 23 - QD2 LEU 22 far 4 87 5 - 3.3-6.5 HA THR 25 - QD2 LEU 22 far 4 76 5 - 2.8-9.9 HA THR 18 - QD2 LEU 22 far 4 73 5 - 3.2-10.1 HA ALA 21 - QD2 LEU 22 far 0 78 0 - 4.1-6.6 HA LYS 31 - QD2 LEU 22 far 0 98 0 - 4.2-20.1 HA LYS 26 - QD2 LEU 22 far 0 100 0 - 4.6-11.8 HA GLN 27 - QD2 LEU 22 far 0 73 0 - 5.1-14.2 HA ALA 16 - QD2 LEU 22 far 0 99 0 - 6.7-13.2 HA ALA 110 - QD2 LEU 22 far 0 90 0 - 8.4-41.3 Violated in 4 structures by 0.02 A. Peak 402 from cnoeabs.peaks (1.54, 0.84, 23.38 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=90, 2.9/401=48...(22) Violated in 16 structures by 0.11 A. Peak 403 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD2 LEU 22 far 0 98 0 - 4.8-8.3 Violated in 0 structures by 0.00 A. Peak 404 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 2.75 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 22 + QD2 LEU 22 OK 98 100 100 98 2.1-3.2 3.1=68, 1.8/402=57...(17) HG3 ARG 23 - QD2 LEU 22 far 0 98 0 - 4.8-8.3 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 6 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 20 - QD2 LEU 22 far 0 100 0 - 4.5-7.3 QG1 VAL 20 - QD2 LEU 22 far 0 95 0 - 5.3-8.0 QD1 LEU 48 - QD2 LEU 22 far 0 60 0 - 8.1-26.2 QD2 LEU 48 - QD2 LEU 22 far 0 93 0 - 8.5-28.1 QG2 VAL 63 - QD2 LEU 22 far 0 90 0 - 9.8-29.8 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 3.3-4.9 6200=100, 375/401=98...(15) H ALA 29 - QD2 LEU 22 far 5 100 5 - 5.7-17.1 H LYS 31 - QD2 LEU 22 far 5 96 5 - 5.1-18.3 H GLU 30 - QD2 LEU 22 far 0 89 0 - 6.0-18.1 H SER 33 - QD2 LEU 22 far 0 95 0 - 6.3-22.3 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 2.3-4.6 4.9=95, 6189/3.1=94...(20) H ILE 32 - QD1 LEU 22 far 5 99 5 - 5.4-19.3 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 12 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-4.0 4.0=100 HA ARG 23 + QD1 LEU 22 OK 52 87 60 99 4.0-6.9 10728/4.9=41, ~6200=36...(21) HA LYS 19 - QD1 LEU 22 far 15 100 15 - 3.9-10.2 HA LYS 26 - QD1 LEU 22 far 15 100 15 - 4.5-11.5 HA THR 25 - QD1 LEU 22 far 11 76 15 - 4.5-10.3 HA LYS 31 - QD1 LEU 22 far 10 98 10 - 4.6-21.1 HA THR 18 - QD1 LEU 22 far 7 73 10 - 3.6-11.0 HA GLN 27 - QD1 LEU 22 far 7 73 10 - 3.8-13.4 HA ALA 21 - QD1 LEU 22 far 4 78 5 - 3.7-6.7 HA ALA 110 - QD1 LEU 22 far 0 90 0 - 7.5-43.4 HA GLN 61 - QD1 LEU 22 far 0 95 0 - 8.2-37.6 HA ALA 16 - QD1 LEU 22 far 0 99 0 - 8.4-13.5 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 1.9-3.2 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: * HB3 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD1 LEU 22 far 0 98 0 - 4.7-8.7 Violated in 0 structures by 0.00 A. Peak 412 from cnoeabs.peaks (1.62, 0.89, 24.55 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 * HG LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD1 LEU 22 far 0 98 0 - 4.7-8.7 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 3 assignments used, quality = 1.00: * QD2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 32 - QD1 LEU 22 far 0 95 0 - 4.5-17.3 QD1 LEU 70 - QD1 LEU 22 far 0 76 0 - 8.9-24.3 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 - 5.1-17.6 H ALA 29 - HA ARG 23 far 0 100 0 - 5.8-14.9 H GLU 30 - HA ARG 23 far 0 89 0 - 7.4-14.7 H SER 33 - HA ARG 23 far 0 95 0 - 8.1-20.9 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 2.3-2.9 3.0=100 HB2 LYS 31 - HA ARG 23 far 0 96 0 - 4.6-15.9 HB2 LYS 26 - HA ARG 23 far 0 100 0 - 4.7-9.7 HB2 LYS 24 - HA ARG 23 far 0 99 0 - 4.9-6.1 HB2 LYS 19 - HA ARG 23 far 0 100 0 - 6.9-11.3 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 6 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 31 - HA ARG 23 far 5 97 5 - 3.9-17.1 HB3 LYS 24 - HA ARG 23 far 0 98 0 - 4.4-6.5 HB3 LYS 26 - HA ARG 23 far 0 100 0 - 4.5-10.3 HB3 LYS 19 - HA ARG 23 far 0 97 0 - 5.8-10.2 HB ILE 32 - HA ARG 23 far 0 100 0 - 8.0-20.1 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 2 assignments used, quality = 1.00: * HG2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.0-3.7 3.8=100 HG13 ILE 37 - HA ARG 23 far 0 93 0 - 10.0-25.7 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 3.1-4.2 3.8=100 HB3 LEU 22 - HA ARG 23 far 5 98 5 - 5.2-6.0 HG LEU 22 - HA ARG 23 far 0 98 0 - 6.0-7.4 HD3 LYS 19 - HA ARG 23 far 0 76 0 - 8.5-12.2 HD2 LYS 19 - HA ARG 23 far 0 76 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 422 from cnoeabs.peaks (3.17, 4.29, 55.99 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.3 4.9=97, ~430=48...(23) HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.0 4.9=97, ~430=48...(24) 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 2 assignments used, quality = 1.00: HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.3 4.9=97, ~430=48...(23) * HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.0 4.9=97, ~430=48...(24) Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (8.37, 4.29, 55.99 ppm; 2.64 A): 1 out of 5 assignments used, quality = 0.94: * H LYS 24 + HA ARG 23 OK 94 100 100 94 2.5-3.4 6212=86, 6211/2.9=35...(8) H GLN 27 - HA ARG 23 far 0 85 0 - 3.7-9.5 H LYS 26 - HA ARG 23 far 0 100 0 - 4.2-7.9 H ASP 35 - HA ARG 23 far 0 89 0 - 6.4-24.5 H LYS 19 - HA ARG 23 far 0 83 0 - 7.3-11.2 Violated in 11 structures by 0.21 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, 6204/1.8=81...(9) H ALA 29 - HB2 ARG 23 far 5 100 5 - 3.6-16.9 H GLU 30 - HB2 ARG 23 far 0 89 0 - 5.7-16.6 H LYS 31 - HB2 ARG 23 far 0 96 0 - 6.8-19.1 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 10 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 22 - HB2 ARG 23 far 4 87 5 - 4.3-5.6 HA LYS 19 - HB2 ARG 23 far 0 85 0 - 4.8-11.1 HA THR 18 - HB2 ARG 23 far 0 99 0 - 5.3-10.4 HA ALA 21 - HB2 ARG 23 far 0 100 0 - 5.3-7.5 HA LYS 26 - HB2 ARG 23 far 0 89 0 - 5.7-10.0 HA ALA 16 - HB2 ARG 23 far 0 97 0 - 6.2-15.6 HA LYS 31 - HB2 ARG 23 far 0 98 0 - 6.8-19.6 HA THR 25 - HB2 ARG 23 far 0 100 0 - 6.9-8.7 HA ALA 15 - HB2 ARG 23 far 0 100 0 - 9.6-16.9 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 6 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 31 - HB2 ARG 23 far 0 97 0 - 4.7-18.8 HB3 LYS 19 - HB2 ARG 23 far 0 97 0 - 4.7-10.4 HB3 LYS 26 - HB2 ARG 23 far 0 100 0 - 5.3-11.7 HB3 LYS 24 - HB2 ARG 23 far 0 98 0 - 6.2-7.9 HB ILE 32 - HB2 ARG 23 far 0 100 0 - 7.4-21.6 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 2.4-3.0 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 - 6.1-7.1 HG LEU 22 - HB2 ARG 23 far 0 98 0 - 6.2-8.2 HD3 LYS 19 - HB2 ARG 23 far 0 76 0 - 7.0-11.4 HD2 LYS 19 - HB2 ARG 23 far 0 76 0 - 7.7-11.6 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 2 assignments used, quality = 1.00: HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 * HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 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 2 assignments used, quality = 1.00: * HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 433 from cnoeabs.peaks (8.37, 1.75, 30.64 ppm; 4.33 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + HB2 ARG 23 OK 100 100 100 100 3.4-4.7 4.2=100 H GLN 27 - HB2 ARG 23 far 4 85 5 - 4.0-11.8 H LYS 26 - HB2 ARG 23 far 0 100 0 - 5.9-10.0 H LYS 19 - HB2 ARG 23 far 0 83 0 - 6.5-10.2 H ASP 35 - HB2 ARG 23 far 0 89 0 - 9.2-25.9 Violated in 16 structures by 0.21 A. Peak 434 from cnoeabs.peaks (8.24, 1.82, 30.64 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 23 + HB3 ARG 23 OK 100 100 100 100 3.1-3.9 6204=100, 6203/1.8=84...(10) H ALA 29 - HB3 ARG 23 far 5 100 5 - 3.8-16.5 H GLU 30 - HB3 ARG 23 far 0 89 0 - 5.5-16.4 H LYS 31 - HB3 ARG 23 far 0 96 0 - 5.8-19.3 H SER 33 - HB3 ARG 23 far 0 95 0 - 9.4-21.9 Violated in 17 structures by 0.21 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 2.2-3.0 3.0=100 HA LYS 26 - HB3 ARG 23 far 4 89 5 - 4.3-10.0 HA LEU 22 - HB3 ARG 23 far 0 87 0 - 4.8-6.3 HA THR 25 - HB3 ARG 23 far 0 100 0 - 5.3-8.0 HA LYS 19 - HB3 ARG 23 far 0 85 0 - 5.8-12.2 HA THR 18 - HB3 ARG 23 far 0 99 0 - 6.5-12.0 HA ALA 21 - HB3 ARG 23 far 0 100 0 - 6.6-9.0 HA ALA 16 - HB3 ARG 23 far 0 97 0 - 7.5-17.0 HA LYS 31 - HB3 ARG 23 far 0 98 0 - 7.8-20.0 HA ALA 15 - HB3 ARG 23 far 0 100 0 - 10.0-18.4 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 5 assignments used, quality = 1.00: * HB2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 26 - HB3 ARG 23 far 0 100 0 - 5.1-11.4 HB2 LYS 31 - HB3 ARG 23 far 0 96 0 - 5.8-17.1 HB2 LYS 24 - HB3 ARG 23 far 0 99 0 - 6.4-7.2 HB2 LYS 19 - HB3 ARG 23 far 0 100 0 - 6.9-12.5 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 2.4-3.0 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 2.2-3.0 3.0=100 HB3 LEU 22 - HB3 ARG 23 far 0 98 0 - 6.0-7.9 HG LEU 22 - HB3 ARG 23 far 0 98 0 - 6.4-8.9 HD3 LYS 19 - HB3 ARG 23 far 0 76 0 - 8.1-12.3 HD2 LYS 19 - HB3 ARG 23 far 0 76 0 - 8.2-12.8 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 2 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 2.1-4.1 3.7=100 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 2 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 2.1-4.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 442 from cnoeabs.peaks (8.37, 1.82, 30.64 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + HB3 ARG 23 OK 100 100 100 100 4.1-4.5 4.2=100 H LYS 26 - HB3 ARG 23 far 10 100 10 - 4.7-9.3 H GLN 27 - HB3 ARG 23 far 4 85 5 - 2.7-11.3 H LYS 19 - HB3 ARG 23 far 0 83 0 - 7.9-11.9 H ASP 35 - HB3 ARG 23 far 0 89 0 - 8.1-25.3 Violated in 15 structures by 0.05 A. Peak 443 from cnoeabs.peaks (8.24, 1.57, 26.98 ppm; 4.27 A): 2 out of 10 assignments used, quality = 1.00: * H ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.9-4.0 6205=100, 6203/3.0=86...(19) H LEU 123 + HG LEU 123 OK 66 66 100 100 4.0-4.6 4.6=80, 3952/2.1=68...(15) H SER 107 - HG LEU 103 poor 15 31 50 - 3.7-7.5 H ALA 29 - HG2 ARG 23 far 5 100 5 - 5.2-18.2 H LYS 31 - HG2 ARG 23 far 5 96 5 - 4.9-21.1 H LEU 123 - HG LEU 49 far 0 92 0 - 5.8-9.4 H GLU 30 - HG2 ARG 23 far 0 89 0 - 6.7-18.2 H LEU 123 - HG LEU 103 far 0 29 0 - 7.4-11.4 H SER 33 - HG2 ARG 23 far 0 95 0 - 8.7-24.3 H ASP 131 - HG LEU 49 far 0 70 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 444 from cnoeabs.peaks (4.29, 1.57, 26.98 ppm; 3.80 A): 2 out of 16 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.0-3.7 3.8=100 HA LEU 22 + HG2 ARG 23 OK 22 87 35 72 3.9-6.7 375/6205=52, 370=15...(10) HA ALA 21 - HG2 ARG 23 far 5 100 5 - 4.6-7.9 HA ALA 108 - HG LEU 103 far 2 32 5 - 3.9-11.7 HA LYS 19 - HG2 ARG 23 far 0 85 0 - 5.0-12.3 HA THR 18 - HG2 ARG 23 far 0 99 0 - 5.2-11.8 HA LYS 26 - HG2 ARG 23 far 0 89 0 - 5.4-9.3 HA THR 25 - HG2 ARG 23 far 0 100 0 - 5.9-8.2 HA LYS 31 - HG2 ARG 23 far 0 98 0 - 6.3-21.9 HA ALA 109 - HG LEU 103 far 0 32 0 - 6.5-12.2 HA ALA 110 - HG LEU 103 far 0 34 0 - 6.8-12.2 HA GLN 61 - HG LEU 49 far 0 99 0 - 7.7-11.0 HA GLN 61 - HG LEU 103 far 0 33 0 - 8.0-10.5 HA ALA 15 - HG2 ARG 23 far 0 100 0 - 8.2-19.3 HA ALA 16 - HG2 ARG 23 far 0 97 0 - 8.9-16.9 HB THR 115 - HG LEU 103 far 0 30 0 - 9.9-15.0 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 12 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 48 - HG LEU 49 poor 19 67 35 80 3.0-8.1 11026/10992=23...(19) HB2 LYS 31 - HG2 ARG 23 far 0 96 0 - 4.0-19.1 HG LEU 100 - HG LEU 103 far 0 22 0 - 5.1-8.7 HB2 LYS 24 - HG2 ARG 23 far 0 99 0 - 5.2-7.1 HB2 LYS 26 - HG2 ARG 23 far 0 100 0 - 5.7-11.3 HB2 LYS 19 - HG2 ARG 23 far 0 100 0 - 6.2-13.0 HG LEU 100 - HG LEU 49 far 0 77 0 - 6.6-9.1 HG13 ILE 129 - HG LEU 49 far 0 96 0 - 7.7-12.0 HB2 LEU 48 - HG LEU 123 far 0 44 0 - 8.3-14.1 HB2 LEU 43 - HG LEU 49 far 0 62 0 - 9.1-12.6 HG LEU 100 - HG LEU 123 far 0 52 0 - 9.5-12.9 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 13 assignments used, quality = 1.00: * HB3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 123 + HG LEU 123 OK 55 55 100 100 2.2-3.0 3.0=100 HB2 LEU 100 - HG LEU 103 far 0 34 0 - 4.2-8.5 HB3 LYS 19 - HG2 ARG 23 far 0 97 0 - 4.7-11.6 HB3 LYS 31 - HG2 ARG 23 far 0 97 0 - 4.7-19.6 HB3 LEU 123 - HG LEU 49 far 0 81 0 - 4.9-9.1 HB3 LEU 122 - HG LEU 49 far 0 59 0 - 5.0-10.0 HB3 LYS 24 - HG2 ARG 23 far 0 98 0 - 5.1-8.0 HB3 LEU 122 - HG LEU 123 far 0 39 0 - 6.5-8.5 HB3 LYS 26 - HG2 ARG 23 far 0 100 0 - 6.5-11.7 HB2 LEU 100 - HG LEU 49 far 0 100 0 - 7.9-11.3 HB ILE 32 - HG2 ARG 23 far 0 100 0 - 8.0-23.6 HB3 LEU 123 - HG LEU 103 far 0 23 0 - 8.5-12.5 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 22 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 43 48 100 89 2.3-2.8 3.0=57, ~3947=21...(16) HG LEU 119 - HG LEU 103 far 0 34 0 - 3.9-9.8 HG LEU 122 - HG LEU 103 far 0 23 0 - 4.2-9.3 HB2 LEU 122 - HG LEU 49 far 0 88 0 - 4.8-8.9 HG LEU 62 - HG LEU 103 far 0 22 0 - 5.1-8.1 HB3 LEU 22 - HG2 ARG 23 far 0 98 0 - 5.8-7.9 HG LEU 122 - HG LEU 49 far 0 79 0 - 6.1-9.1 HG LEU 22 - HG2 ARG 23 far 0 98 0 - 6.1-9.3 HB2 LEU 122 - HG LEU 103 far 0 26 0 - 6.2-9.8 HB2 LEU 123 - HG LEU 49 far 0 72 0 - 6.3-10.3 HG LEU 122 - HG LEU 123 far 0 54 0 - 6.3-9.4 HB2 LEU 122 - HG LEU 123 far 0 61 0 - 6.4-8.4 HG LEU 62 - HG LEU 49 far 0 77 0 - 6.4-9.7 HG LEU 62 - HG LEU 123 far 0 52 0 - 7.9-11.8 HG LEU 119 - HG LEU 123 far 0 75 0 - 7.9-10.2 HD2 LYS 19 - HG2 ARG 23 far 0 76 0 - 8.1-13.4 HB2 LEU 123 - HG LEU 103 far 0 20 0 - 8.5-13.7 HD3 LYS 19 - HG2 ARG 23 far 0 76 0 - 8.6-13.3 HG LEU 70 - HG LEU 49 far 0 92 0 - 8.9-13.0 HG LEU 70 - HG LEU 103 far 0 29 0 - 9.9-13.2 HG LEU 119 - HG LEU 49 far 0 99 0 - 10.0-13.0 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 2 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 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 2 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 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 7 assignments used, quality = 1.00: * H LYS 24 + HG2 ARG 23 OK 100 100 100 100 2.8-4.7 4.6=100 H THR 65 + HG LEU 49 OK 62 96 65 99 4.9-7.8 4.0/10992=86, ~10351=50...(12) H LYS 26 - HG2 ARG 23 far 15 100 15 - 6.0-9.7 H GLN 27 - HG2 ARG 23 far 4 85 5 - 5.3-11.6 H LYS 19 - HG2 ARG 23 far 0 83 0 - 7.1-11.9 H THR 65 - HG LEU 103 far 0 31 0 - 7.4-9.9 H ASP 35 - HG2 ARG 23 far 0 89 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (8.24, 1.63, 26.98 ppm; 4.27 A): 2 out of 14 assignments used, quality = 1.00: * H ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.9-4.9 6205/1.8=89, 6203/430=88...(19) H ARG 23 + HG LEU 22 OK 25 83 30 100 4.4-6.0 6197/3.0=74, 375/4.3=67...(14) H ALA 29 - HG3 ARG 23 far 5 100 5 - 3.7-18.7 H LYS 31 - HG3 ARG 23 far 5 96 5 - 4.4-21.5 H SER 107 - HG LEU 119 far 0 95 0 - 5.6-13.3 H GLU 30 - HG3 ARG 23 far 0 89 0 - 5.8-18.6 H LYS 31 - HG LEU 22 far 0 75 0 - 5.9-22.1 H ASP 131 - HG LEU 43 far 0 42 0 - 6.5-8.0 H GLU 30 - HG LEU 22 far 0 67 0 - 6.8-20.7 H LEU 123 - HG LEU 119 far 0 91 0 - 6.8-7.5 H LEU 96 - HG LEU 70 far 0 41 0 - 7.1-8.8 H ALA 29 - HG LEU 22 far 0 82 0 - 7.4-19.5 H SER 33 - HG3 ARG 23 far 0 95 0 - 8.4-24.1 H SER 33 - HG LEU 22 far 0 74 0 - 9.1-25.6 Violated in 2 structures by 0.03 A. Peak 453 from cnoeabs.peaks (4.29, 1.63, 26.98 ppm; 4.50 A): 2 out of 31 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 3.1-4.2 3.8=100 HA LEU 22 + HG LEU 22 OK 66 66 100 100 2.2-4.3 4.3=100 HA LEU 22 - HG3 ARG 23 poor 16 87 25 74 4.4-6.9 3.6/452=48, 444/1.8=26...(8) HA ALA 21 - HG3 ARG 23 far 15 100 15 - 4.4-9.0 HA THR 18 - HG LEU 22 far 12 81 15 - 5.0-12.5 HA ALA 21 - HG LEU 22 far 8 82 10 - 4.3-7.1 HA LYS 19 - HG LEU 22 far 6 64 10 - 4.7-11.0 HA THR 25 - HG3 ARG 23 far 5 100 5 - 5.2-8.8 HA THR 18 - HG3 ARG 23 far 5 99 5 - 5.3-12.1 HA LYS 19 - HG3 ARG 23 far 4 85 5 - 4.6-13.3 HA THR 25 - HG LEU 22 far 0 81 0 - 5.6-11.8 HA LYS 31 - HG LEU 22 far 0 78 0 - 5.7-24.5 HA LYS 26 - HG3 ARG 23 far 0 89 0 - 5.9-10.2 HA ARG 23 - HG LEU 22 far 0 83 0 - 6.0-7.4 HA LYS 31 - HG3 ARG 23 far 0 98 0 - 6.3-22.1 HB THR 115 - HG LEU 119 far 0 94 0 - 6.6-9.6 HA SER 74 - HG LEU 70 far 0 79 0 - 6.7-9.0 HA LYS 26 - HG LEU 22 far 0 67 0 - 6.7-12.9 HA ASP 131 - HG LEU 43 far 0 47 0 - 6.8-8.3 HA PHE 87 - HG3 ARG 84 far 0 56 0 - 6.8-9.9 HA ALA 108 - HG LEU 119 far 0 97 0 - 7.7-15.2 HA PHE 87 - HG2 ARG 84 far 0 56 0 - 7.8-9.4 HA ALA 15 - HG3 ARG 23 far 0 100 0 - 8.0-18.8 HA ALA 110 - HG LEU 119 far 0 99 0 - 8.2-14.1 HA ALA 16 - HG3 ARG 23 far 0 97 0 - 8.2-17.9 HA ALA 109 - HG LEU 119 far 0 97 0 - 8.3-13.5 HA ALA 110 - HG LEU 22 far 0 83 0 - 9.1-50.6 HA TYR 76 - HG LEU 43 far 0 40 0 - 9.1-10.3 HA ALA 16 - HG LEU 22 far 0 77 0 - 9.1-16.0 HA ALA 16 - HG LEU 70 far 0 75 0 - 9.5-37.3 HA LYS 36 - HG LEU 43 far 0 63 0 - 9.8-13.7 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 - 4.0-5.7 HB2 LYS 31 - HG3 ARG 23 far 5 96 5 - 3.9-19.2 HB2 LYS 24 - HG LEU 22 far 4 79 5 - 3.9-8.8 HG LEU 100 - HG LEU 70 far 3 56 5 - 4.3-7.6 HB2 LYS 19 - HG3 ARG 23 far 0 100 0 - 5.3-13.9 HB2 LYS 24 - HG3 ARG 23 far 0 99 0 - 5.7-8.3 HB2 LYS 26 - HG3 ARG 23 far 0 100 0 - 5.8-11.9 HB2 ARG 23 - HG LEU 22 far 0 83 0 - 6.2-8.2 HG LEU 100 - HG LEU 119 far 0 76 0 - 6.9-12.0 HB2 LYS 19 - HG LEU 22 far 0 81 0 - 7.1-12.7 HB2 LYS 31 - HG LEU 22 far 0 75 0 - 7.1-22.7 HG13 ILE 129 - HG LEU 70 far 0 74 0 - 7.5-10.1 HB ILE 80 - HG2 ARG 84 far 0 62 0 - 8.1-10.9 HB2 LYS 26 - HG LEU 22 far 0 81 0 - 8.3-14.3 HB ILE 80 - HG3 ARG 84 far 0 62 0 - 8.5-11.2 HG13 ILE 129 - HG LEU 43 far 0 63 0 - 8.7-10.5 HG3 ARG 90 - HG LEU 70 far 0 54 0 - 9.8-13.7 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 26 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 LYS 19 - HG3 ARG 23 far 5 97 5 - 3.6-12.6 HB2 LEU 100 - HG LEU 70 far 4 80 5 - 4.2-6.7 HB3 ARG 135 - HG3 ARG 84 far 0 77 0 - 4.8-9.2 HB3 LYS 24 - HG3 ARG 23 far 0 98 0 - 4.8-9.0 HB3 LYS 24 - HG LEU 22 far 0 78 0 - 4.9-8.8 HB3 LYS 31 - HG3 ARG 23 far 0 97 0 - 5.2-19.8 HB3 LYS 26 - HG3 ARG 23 far 0 100 0 - 5.4-12.7 HB3 ARG 135 - HG2 ARG 84 far 0 77 0 - 5.5-10.1 HB3 LYS 31 - HG LEU 22 far 0 76 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 58 0 - 5.7-9.1 HB2 LYS 86 - HG2 ARG 84 far 0 42 0 - 6.1-9.8 HB3 ARG 23 - HG LEU 22 far 0 83 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 80 0 - 6.5-8.9 HB3 LYS 19 - HG LEU 22 far 0 76 0 - 6.9-11.6 HB2 LYS 86 - HG3 ARG 84 far 0 42 0 - 7.4-10.0 HB VAL 93 - HG LEU 70 far 0 79 0 - 7.5-9.3 HB3 LYS 26 - HG LEU 22 far 0 82 0 - 7.8-15.3 HB3 LEU 122 - HG LEU 70 far 0 41 0 - 7.9-11.3 HB ILE 32 - HG3 ARG 23 far 0 100 0 - 8.1-23.7 HB2 LEU 100 - HG LEU 119 far 0 99 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 81 0 - 8.5-24.0 HB2 CYS 79 - HG LEU 43 far 0 57 0 - 9.2-11.5 HB3 LYS 24 - HG LEU 70 far 0 76 0 - 9.4-36.0 Violated in 0 structures by 0.00 A. Peak 456 from cnoeabs.peaks (1.57, 1.63, 26.98 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 103 - HG LEU 119 far 0 83 0 - 3.9-9.8 HB2 LEU 103 - HG LEU 119 far 0 99 0 - 4.1-9.1 HG LEU 122 - HG LEU 119 far 0 58 0 - 5.3-9.8 HG2 ARG 23 - HG LEU 22 far 0 83 0 - 6.1-9.3 HG LEU 122 - HG LEU 70 far 0 41 0 - 7.0-11.2 HG LEU 123 - HG LEU 119 far 0 97 0 - 7.9-10.2 HG LEU 49 - HG LEU 70 far 0 80 0 - 8.9-13.0 HB2 LEU 103 - HG LEU 70 far 0 80 0 - 9.2-12.7 HG LEU 103 - HG LEU 70 far 0 62 0 - 9.9-13.2 HG LEU 49 - HG LEU 119 far 0 99 0 - 10.0-13.0 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 9 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 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.4-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 83 0 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 83 0 - 7.7-10.6 HD3 ARG 90 - HG LEU 70 far 0 80 0 - 9.5-14.1 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 9 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 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.4-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 83 0 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 83 0 - 7.7-10.6 HD3 ARG 90 - HG LEU 70 far 0 80 0 - 9.5-14.1 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 14 assignments used, quality = 1.00: * H LYS 24 + HG3 ARG 23 OK 100 100 100 100 3.1-5.8 4.6=100 H LYS 24 + HG LEU 22 OK 77 83 100 93 4.3-6.3 10733/2.1=76...(7) H LYS 86 + HG3 ARG 84 OK 22 40 80 67 5.0-7.2 7098/4.6=36, 3.9/7105=16...(10) H LYS 86 - HG2 ARG 84 poor 14 40 55 63 4.4-6.8 7098/4.6=36, 3.9/7106=16...(8) H LYS 19 - HG LEU 22 far 6 62 10 - 6.3-11.6 H LYS 26 - HG3 ARG 23 far 5 100 5 - 5.7-10.8 H GLN 27 - HG3 ARG 23 far 4 85 5 - 4.8-12.6 H LYS 19 - HG3 ARG 23 far 4 83 5 - 6.2-12.6 H LYS 26 - HG LEU 22 far 4 83 5 - 6.2-13.0 H GLN 27 - HG LEU 22 far 3 64 5 - 6.5-15.6 H THR 65 - HG LEU 70 far 0 74 0 - 8.2-11.1 H ASP 35 - HG3 ARG 23 far 0 89 0 - 8.8-27.5 H GLY 14 - HG LEU 70 far 0 80 0 - 9.2-41.7 H ASP 35 - HG LEU 22 far 0 67 0 - 9.6-29.6 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 10 assignments used, quality = 1.00: H ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-5.7 6.4=100 * H ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.6-5.4 6.4=100 H LYS 31 - HD3 ARG 23 far 10 96 10 - 6.8-20.6 H ALA 29 - HD2 ARG 23 far 5 100 5 - 3.9-19.6 H ALA 29 - HD3 ARG 23 far 5 100 5 - 5.0-18.5 H LYS 31 - HD2 ARG 23 far 5 96 5 - 6.7-21.7 H GLU 30 - HD2 ARG 23 far 4 89 5 - 6.4-19.2 H GLU 30 - HD3 ARG 23 far 4 89 5 - 7.6-18.1 H LEU 96 - HD3 ARG 90 far 0 51 0 - 8.9-11.5 H SER 33 - HD2 ARG 23 far 0 95 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 462 from cnoeabs.peaks (4.29, 3.17, 43.21 ppm; 4.16 A): 3 out of 26 assignments used, quality = 1.00: HA ARG 23 + HD3 ARG 23 OK 100 100 100 100 3.4-5.0 4.9=63, 3.0/464=35...(23) * HA ARG 23 + HD2 ARG 23 OK 85 100 85 100 3.4-5.3 4.9=63, 3.0/464=35...(23) HA PHE 87 + HD3 ARG 90 OK 34 70 60 80 3.5-7.2 2723/3.8=34, 7206/5.9=22...(11) HA PHE 87 - HD2 ARG 90 poor 19 69 35 80 2.8-7.2 2723/3.8=34, 7206/5.9=22...(11) HA SER 74 - HD3 ARG 90 poor 18 92 20 - 3.7-7.9 HA SER 74 - HD2 ARG 90 poor 18 91 20 - 2.9-9.4 HA LEU 22 - HD3 ARG 23 poor 12 87 25 56 2.5-8.2 375/6.4=22, 444/3.0=19...(9) HA ALA 21 - HD2 ARG 23 far 10 100 10 - 4.4-9.4 HA THR 18 - HD3 ARG 23 far 5 99 5 - 3.2-12.0 HA THR 25 - HD3 ARG 23 far 5 100 5 - 4.5-10.2 HA THR 18 - HD2 ARG 23 far 5 99 5 - 3.3-12.4 HA ALA 21 - HD3 ARG 23 lone 5 100 30 15 3.0-9.7 10688/11844=5...(4) HA LYS 26 - HD2 ARG 23 far 4 89 5 - 5.0-10.9 HA LEU 22 - HD2 ARG 23 far 4 87 5 - 4.2-8.2 HA THR 25 - HD2 ARG 23 far 0 100 0 - 5.2-10.4 HA LYS 26 - HD3 ARG 23 far 0 89 0 - 5.3-11.5 HA LYS 19 - HD3 ARG 23 far 0 85 0 - 6.1-11.0 HA LYS 19 - HD2 ARG 23 far 0 85 0 - 6.1-11.8 HA ALA 16 - HD2 ARG 23 far 0 97 0 - 6.2-16.8 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.0-18.9 HA TYR 76 - HD2 ARG 90 far 0 58 0 - 7.2-12.2 HA ALA 16 - HD3 ARG 23 far 0 97 0 - 7.3-16.2 HA TYR 76 - HD3 ARG 90 far 0 58 0 - 7.8-11.5 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 7.8-18.1 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 7.9-21.2 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 8.2-22.2 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 16 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 * HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 66 66 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 65 65 100 100 2.2-2.8 3.0=100 HB2 LYS 26 - HD3 ARG 23 far 5 100 5 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 96 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 87 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 96 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 100 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 75 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.8-12.6 HB ILE 80 - HD3 ARG 90 far 0 76 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 86 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 100 0 - 7.5-12.0 Violated in 0 structures by 0.00 A. Peak 464 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.81 A): 2 out of 16 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 2.1-4.1 3.7=100 HB2 LYS 86 - HD3 ARG 90 poor 16 54 30 - 3.8-8.9 HB VAL 93 - HD3 ARG 90 far 14 92 15 - 3.6-6.6 HB2 LYS 86 - HD2 ARG 90 poor 13 53 50 50 2.6-7.9 ~11778=9, ~11879=8...(12) HB VAL 93 - HD2 ARG 90 far 0 91 0 - 4.9-7.0 HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 5.0-11.5 HB3 LYS 24 - HD2 ARG 23 far 0 98 0 - 5.6-9.7 HB3 LYS 24 - HD3 ARG 23 far 0 98 0 - 5.8-9.7 HB3 LYS 31 - HD3 ARG 23 far 0 97 0 - 5.9-18.8 HB3 LYS 19 - HD3 ARG 23 far 0 97 0 - 5.9-10.8 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 6.2-14.0 HB3 LYS 31 - HD2 ARG 23 far 0 97 0 - 6.4-19.8 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 7.0-13.4 HB ILE 32 - HD2 ARG 23 far 0 100 0 - 7.1-24.3 HB ILE 32 - HD3 ARG 23 far 0 100 0 - 8.5-23.4 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 2 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 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 13 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 2.3-3.0 3.0=100 HB3 LEU 22 - HD3 ARG 23 far 0 98 0 - 5.0-9.1 HG LEU 22 - HD3 ARG 23 far 0 98 0 - 5.9-10.8 HB3 LEU 22 - HD2 ARG 23 far 0 98 0 - 6.3-9.6 HD3 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.3-13.1 HD2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.6-13.1 HD3 LYS 19 - HD3 ARG 23 far 0 76 0 - 7.4-12.5 HD2 LYS 19 - HD3 ARG 23 far 0 76 0 - 7.5-13.0 HG LEU 22 - HD2 ARG 23 far 0 98 0 - 7.7-10.6 HD2 LYS 95 - HD2 ARG 90 far 0 53 0 - 8.2-13.4 HD2 LYS 95 - HD3 ARG 90 far 0 54 0 - 8.5-12.1 HG LEU 70 - HD3 ARG 90 far 0 83 0 - 9.5-14.1 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 10 assignments used, quality = 1.00: * H ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-5.7 6.4=100 H ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.6-5.4 6.4=100 H LYS 31 - HD3 ARG 23 far 10 96 10 - 6.8-20.6 H ALA 29 - HD2 ARG 23 far 5 100 5 - 3.9-19.6 H ALA 29 - HD3 ARG 23 far 5 100 5 - 5.0-18.5 H LYS 31 - HD2 ARG 23 far 5 96 5 - 6.7-21.7 H GLU 30 - HD2 ARG 23 far 4 89 5 - 6.4-19.2 H GLU 30 - HD3 ARG 23 far 4 89 5 - 7.6-18.1 H LEU 96 - HD3 ARG 90 far 0 51 0 - 8.9-11.5 H SER 33 - HD2 ARG 23 far 0 95 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 471 from cnoeabs.peaks (4.29, 3.17, 43.21 ppm; 4.16 A): 3 out of 26 assignments used, quality = 1.00: * HA ARG 23 + HD3 ARG 23 OK 100 100 100 100 3.4-5.0 4.9=63, 3.0/464=35...(23) HA ARG 23 + HD2 ARG 23 OK 85 100 85 100 3.4-5.3 4.9=63, 3.0/464=35...(23) HA PHE 87 + HD3 ARG 90 OK 34 70 60 80 3.5-7.2 2723/3.8=34, 7206/5.9=22...(11) HA PHE 87 - HD2 ARG 90 poor 19 69 35 80 2.8-7.2 2723/3.8=34, 7206/5.9=22...(11) HA SER 74 - HD3 ARG 90 poor 18 92 20 - 3.7-7.9 HA SER 74 - HD2 ARG 90 poor 18 91 20 - 2.9-9.4 HA LEU 22 - HD3 ARG 23 poor 12 87 25 56 2.5-8.2 375/6.4=22, 444/3.0=19...(9) HA ALA 21 - HD2 ARG 23 far 10 100 10 - 4.4-9.4 HA THR 18 - HD3 ARG 23 far 5 99 5 - 3.2-12.0 HA THR 25 - HD3 ARG 23 far 5 100 5 - 4.5-10.2 HA THR 18 - HD2 ARG 23 far 5 99 5 - 3.3-12.4 HA ALA 21 - HD3 ARG 23 lone 5 100 30 15 3.0-9.7 10688/11844=5...(4) HA LYS 26 - HD2 ARG 23 far 4 89 5 - 5.0-10.9 HA LEU 22 - HD2 ARG 23 far 4 87 5 - 4.2-8.2 HA THR 25 - HD2 ARG 23 far 0 100 0 - 5.2-10.4 HA LYS 26 - HD3 ARG 23 far 0 89 0 - 5.3-11.5 HA LYS 19 - HD3 ARG 23 far 0 85 0 - 6.1-11.0 HA LYS 19 - HD2 ARG 23 far 0 85 0 - 6.1-11.8 HA ALA 16 - HD2 ARG 23 far 0 97 0 - 6.2-16.8 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.0-18.9 HA TYR 76 - HD2 ARG 90 far 0 58 0 - 7.2-12.2 HA ALA 16 - HD3 ARG 23 far 0 97 0 - 7.3-16.2 HA TYR 76 - HD3 ARG 90 far 0 58 0 - 7.8-11.5 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 7.8-18.1 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 7.9-21.2 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 8.2-22.2 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 16 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 66 66 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 65 65 100 100 2.2-2.8 3.0=100 HB2 LYS 26 - HD3 ARG 23 far 5 100 5 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 96 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 87 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 96 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 100 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 75 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.8-12.6 HB ILE 80 - HD3 ARG 90 far 0 76 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 86 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 100 0 - 7.5-12.0 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.81 A): 2 out of 16 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 2.1-4.1 3.7=100 HB2 LYS 86 - HD3 ARG 90 poor 16 54 30 - 3.8-8.9 HB VAL 93 - HD3 ARG 90 far 14 92 15 - 3.6-6.6 HB2 LYS 86 - HD2 ARG 90 poor 13 53 50 50 2.6-7.9 ~11778=9, ~11879=8...(12) HB VAL 93 - HD2 ARG 90 far 0 91 0 - 4.9-7.0 HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 5.0-11.5 HB3 LYS 24 - HD2 ARG 23 far 0 98 0 - 5.6-9.7 HB3 LYS 24 - HD3 ARG 23 far 0 98 0 - 5.8-9.7 HB3 LYS 31 - HD3 ARG 23 far 0 97 0 - 5.9-18.8 HB3 LYS 19 - HD3 ARG 23 far 0 97 0 - 5.9-10.8 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 6.2-14.0 HB3 LYS 31 - HD2 ARG 23 far 0 97 0 - 6.4-19.8 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 7.0-13.4 HB ILE 32 - HD2 ARG 23 far 0 100 0 - 7.1-24.3 HB ILE 32 - HD3 ARG 23 far 0 100 0 - 8.5-23.4 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 2 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 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 13 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 2.3-3.0 3.0=100 HB3 LEU 22 - HD3 ARG 23 far 0 98 0 - 5.0-9.1 HG LEU 22 - HD3 ARG 23 far 0 98 0 - 5.9-10.8 HB3 LEU 22 - HD2 ARG 23 far 0 98 0 - 6.3-9.6 HD3 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.3-13.1 HD2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.6-13.1 HD3 LYS 19 - HD3 ARG 23 far 0 76 0 - 7.4-12.5 HD2 LYS 19 - HD3 ARG 23 far 0 76 0 - 7.5-13.0 HG LEU 22 - HD2 ARG 23 far 0 98 0 - 7.7-10.6 HD2 LYS 95 - HD2 ARG 90 far 0 53 0 - 8.2-13.4 HD2 LYS 95 - HD3 ARG 90 far 0 54 0 - 8.5-12.1 HG LEU 70 - HD3 ARG 90 far 0 83 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 476 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Reference assignment not found: HD2 ARG 23 - HD3 ARG 23 Peak 477 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Peak 479 from cnoeabs.peaks (8.37, 4.33, 56.43 ppm; 2.71 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 24 + HA LYS 24 OK 100 100 100 100 2.7-2.9 6219=100, 6220/491=38...(13) H LYS 26 - HA LYS 24 far 0 100 0 - 3.9-7.1 H GLN 27 - HA LYS 24 far 0 85 0 - 6.3-10.6 H THR 65 - HA ASN 59 far 0 88 0 - 7.4-8.5 H ASP 35 - HA LYS 24 far 0 89 0 - 8.3-26.7 H LYS 19 - HA LYS 24 far 0 83 0 - 9.5-14.5 H LYS 86 - HA GLN 134 far 0 23 0 - 9.7-12.3 Violated in 20 structures by 0.07 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 LYS 26 - HA LYS 24 far 0 100 0 - 4.6-9.6 HB2 LYS 39 - HA GLN 134 far 0 41 0 - 5.0-8.1 HB2 ARG 23 - HA LYS 24 far 0 99 0 - 5.0-6.2 HB2 LEU 43 - HA GLN 134 far 0 34 0 - 5.9-8.6 HB2 LEU 43 - HA ASP 47 far 0 63 0 - 6.4-8.1 HB2 LYS 31 - HA LYS 24 far 0 100 0 - 6.9-18.1 HG LEU 100 - HA ASN 59 far 0 49 0 - 8.3-10.9 HG13 ILE 129 - HA ASP 47 far 0 84 0 - 9.0-11.9 HB2 LYS 19 - HA LYS 24 far 0 100 0 - 9.3-15.1 HB ILE 80 - HA GLN 134 far 0 45 0 - 10.0-11.5 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 13 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-2.9 502=94, 1.8/491=62...(28) HB3 LEU 103 - HA ASN 59 far 0 71 0 - 4.1-8.0 HB3 ARG 23 - HA LYS 24 far 0 98 0 - 4.7-5.6 HB3 ARG 135 - HA GLN 134 far 0 48 0 - 5.2-6.6 HB3 LYS 26 - HA LYS 24 far 0 100 0 - 6.3-10.1 HB3 LYS 31 - HA LYS 24 far 0 100 0 - 6.6-19.1 HB ILE 32 - HA LYS 24 far 0 100 0 - 7.3-21.6 HB3 LEU 123 - HA ASP 47 far 0 52 0 - 7.5-9.9 HB3 LYS 19 - HA LYS 24 far 0 100 0 - 8.4-13.6 HB2 LEU 100 - HA ASN 59 far 0 91 0 - 8.5-11.3 HB3 LEU 122 - HA ASN 59 far 0 73 0 - 8.6-11.0 HB3 LEU 122 - HA ASP 47 far 0 63 0 - 9.6-13.9 HB3 LEU 123 - HA ASN 59 far 0 61 0 - 9.6-12.0 Violated in 4 structures by 0.02 A. Peak 483 from cnoeabs.peaks (1.38, 4.33, 56.43 ppm; 3.15 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-3.5 513=89, 1.8/484=62...(32) QB ALA 108 - HA ASN 59 far 0 93 0 - 4.2-9.2 QB ALA 110 - HA ASN 59 far 0 94 0 - 4.3-10.0 HG3 LYS 31 - HA LYS 24 far 0 97 0 - 4.7-20.7 QB ALA 109 - HA ASN 59 far 0 90 0 - 4.7-8.7 HG3 LYS 26 - HA LYS 24 far 0 100 0 - 5.0-9.3 QB ALA 28 - HA LYS 24 far 0 100 0 - 5.6-12.8 HB2 LEU 42 - HA GLN 134 far 0 48 0 - 7.1-9.4 QB ALA 29 - HA LYS 24 far 0 100 0 - 7.2-14.5 QB ALA 16 - HA LYS 24 far 0 71 0 - 9.1-16.2 HB3 LEU 100 - HA ASN 59 far 0 94 0 - 9.5-11.8 HB2 LEU 42 - HA ASP 47 far 0 84 0 - 9.6-10.4 Violated in 12 structures by 0.14 A. Peak 484 from cnoeabs.peaks (1.45, 4.33, 56.43 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-4.1 524=100, 1.8/483=89...(34) HG2 LYS 31 - HA LYS 24 far 0 100 0 - 4.7-20.3 HG2 LYS 26 - HA LYS 24 far 0 95 0 - 6.3-10.5 HG13 ILE 32 - HA LYS 24 far 0 99 0 - 6.3-19.3 QB ALA 34 - HA LYS 24 far 0 65 0 - 6.5-24.2 HG3 LYS 19 - HA LYS 24 far 0 100 0 - 9.9-13.7 Violated in 8 structures by 0.06 A. Peak 485 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.64 A): 3 out of 14 assignments used, quality = 1.00: HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-4.5 3.0/483=67, 546=67...(30) HG LEU 62 + HA ASN 59 OK 77 86 90 100 3.0-4.6 2.1/9388=65, 3.0/1880=54...(21) * HD2 LYS 24 + HA LYS 24 OK 70 100 70 100 2.2-4.9 3.0/483=67, 3.0/484=60...(30) HD2 LYS 39 - HA GLN 134 poor 11 38 30 - 2.3-7.5 HD2 LYS 26 - HA LYS 24 far 5 100 5 - 4.5-11.7 HG LEU 43 - HA GLN 134 far 2 37 5 - 4.4-7.3 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 4.7-21.6 HD2 LYS 31 - HA LYS 24 far 0 100 0 - 4.8-21.6 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 5.2-11.3 HB2 LEU 69 - HA ASP 47 far 0 81 0 - 8.1-10.5 HG LEU 43 - HA ASP 47 far 0 67 0 - 8.1-9.2 QB ALA 88 - HA GLN 134 far 0 49 0 - 8.8-10.3 HB2 LEU 123 - HA ASP 47 far 0 78 0 - 8.9-11.4 HG3 ARG 84 - HA GLN 134 far 0 29 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 486 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.64 A): 3 out of 14 assignments used, quality = 1.00: * HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-4.5 3.0/483=67, 546=67...(30) HG LEU 62 + HA ASN 59 OK 78 87 90 100 3.0-4.6 2.1/9388=65, 3.0/1880=54...(21) HD2 LYS 24 + HA LYS 24 OK 70 100 70 100 2.2-4.9 3.0/483=67, 3.0/484=60...(30) HD2 LYS 39 - HA GLN 134 poor 11 37 30 - 2.3-7.5 HD2 LYS 26 - HA LYS 24 far 5 100 5 - 4.5-11.7 HG LEU 43 - HA GLN 134 far 2 38 5 - 4.4-7.3 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 4.7-21.6 HD2 LYS 31 - HA LYS 24 far 0 100 0 - 4.8-21.6 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 5.2-11.3 HB2 LEU 69 - HA ASP 47 far 0 80 0 - 8.1-10.5 HG LEU 43 - HA ASP 47 far 0 69 0 - 8.1-9.2 QB ALA 88 - HA GLN 134 far 0 48 0 - 8.8-10.3 HB2 LEU 123 - HA ASP 47 far 0 79 0 - 8.9-11.4 HG3 ARG 84 - HA GLN 134 far 0 31 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 489 from cnoeabs.peaks (8.10, 4.33, 56.43 ppm; 3.39 A): 1 out of 6 assignments used, quality = 1.00: * H THR 25 + HA LYS 24 OK 100 100 100 100 3.5-3.6 6231=100, 6230/6219=68...(15) HD22 ASN 85 - HA GLN 134 far 0 33 0 - 4.8-8.6 H ALA 109 - HA ASN 59 far 0 73 0 - 5.1-9.5 H ALA 108 - HA ASN 59 far 0 69 0 - 5.7-9.2 H LEU 103 - HA ASN 59 far 0 71 0 - 7.0-9.7 H ASN 120 - HA ASN 59 far 0 59 0 - 8.9-10.0 Violated in 20 structures by 0.16 A. Peak 490 from cnoeabs.peaks (8.37, 1.75, 32.73 ppm; 3.41 A): 4 out of 22 assignments used, quality = 1.00: * H LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.5 6220=100, 6219/491=70...(22) H LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.3 6250=100, 6251/1.8=83...(32) H GLN 27 + HB2 LYS 26 OK 83 84 100 98 1.9-3.8 6262=77, 6263/1.8=58...(12) H LYS 19 + HB2 LYS 19 OK 80 81 100 99 2.7-3.1 6149=74, 6159/6161=36...(36) H GLN 27 - HB2 LYS 31 far 12 82 15 - 2.6-10.7 H LYS 26 - HB2 LYS 24 far 10 100 10 - 2.9-8.0 H GLN 27 - HB2 LYS 24 far 0 85 0 - 5.1-11.1 H LYS 26 - HB2 LYS 31 far 0 99 0 - 5.2-12.7 H LYS 24 - HB2 LYS 26 far 0 100 0 - 5.4-9.4 H LYS 24 - HB2 LYS 31 far 0 99 0 - 5.6-16.9 H GLN 27 - HB2 LYS 19 far 0 83 0 - 6.4-18.1 H ASP 35 - HB2 LYS 19 far 0 87 0 - 6.6-23.9 H LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-13.0 H ASP 35 - HB2 LYS 26 far 0 88 0 - 7.1-19.0 H LYS 19 - HB2 LYS 31 far 0 80 0 - 7.8-18.7 H LYS 19 - HB2 LYS 24 far 0 83 0 - 7.8-14.8 H GLY 14 - HB2 LYS 19 far 0 99 0 - 8.2-16.0 H ASP 35 - HB2 LYS 24 far 0 89 0 - 8.3-26.3 H THR 65 - HB2 LYS 26 far 0 96 0 - 8.3-34.2 H ASP 35 - HB2 LYS 31 far 0 86 0 - 9.2-10.4 H LYS 26 - HB2 LYS 19 far 0 99 0 - 9.3-18.0 H THR 65 - HB2 LYS 24 far 0 97 0 - 9.6-36.5 Violated in 0 structures by 0.00 A. Peak 491 from cnoeabs.peaks (4.33, 1.75, 32.73 ppm; 2.92 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=97, 482/1.8=70...(31) HA LYS 24 - HB2 LYS 26 far 0 100 0 - 4.6-9.6 HA GLN 134 - HB2 LYS 39 far 0 41 0 - 5.0-8.1 HA2 GLY 75 - HB2 LYS 19 far 0 87 0 - 5.2-29.5 HA LYS 24 - HB2 LYS 31 far 0 99 0 - 6.9-18.1 HA PRO 81 - HB2 LYS 39 far 0 54 0 - 7.1-14.1 HA TYR 76 - HB2 LYS 39 far 0 35 0 - 7.4-9.7 HA TYR 76 - HB2 LYS 19 far 0 74 0 - 8.8-29.6 HA LYS 24 - HB2 LYS 19 far 0 100 0 - 9.3-15.1 HA ASP 131 - HB2 LYS 39 far 0 29 0 - 9.9-11.6 Violated in 15 structures by 0.07 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 97 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 98 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 96 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 32 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 99 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 98 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 99 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 99 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 99 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.0-24.5 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 40 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-2.9 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 2.4-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.4-2.9 3.0=100 HG3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.5-10.3 QB ALA 28 - HB2 LYS 24 far 5 100 5 - 3.9-12.5 QB ALA 15 - HB2 LYS 19 far 5 99 5 - 3.6-11.3 QB ALA 28 - HB2 LYS 19 far 5 99 5 - 3.2-16.4 QB ALA 28 - HB2 LYS 31 far 5 98 5 - 4.2-8.2 HG3 LYS 31 - HB2 LYS 26 far 5 96 5 - 4.2-14.0 QB ALA 16 - HB2 LYS 31 far 3 68 5 - 3.9-19.7 QB ALA 16 - HB2 LYS 19 far 0 69 0 - 4.4-8.5 HB2 LEU 42 - HB2 LYS 39 far 0 54 0 - 4.9-6.2 QB ALA 12 - HB2 LYS 19 far 0 81 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 99 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 99 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 95 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 99 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 6.0-10.8 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 6.3-10.0 QB ALA 29 - HB2 LYS 31 far 0 99 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 99 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 97 0 - 6.9-19.1 HG2 LYS 19 - HB2 LYS 26 far 0 91 0 - 8.3-18.2 HG2 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 92 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 89 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 71 0 - 9.2-17.0 QB ALA 12 - HB2 LYS 31 far 0 80 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 99 0 - 9.4-18.8 QB ALA 12 - HB2 LYS 26 far 0 82 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 70 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 495 from cnoeabs.peaks (1.45, 1.75, 32.73 ppm; 3.89 A): 5 out of 27 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.7-3.0 3.0=100 HG2 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 43 97 50 88 3.8-6.2 6345/809=54...(13) HG2 LYS 26 - HB2 LYS 31 far 14 92 15 - 4.2-12.5 HG2 LYS 31 - HB2 LYS 26 far 10 99 10 - 3.3-13.1 HG13 ILE 32 - HB2 LYS 26 far 10 98 10 - 4.2-12.5 QB ALA 34 - HB2 LYS 19 far 3 64 5 - 2.9-20.2 QB ALA 34 - HB2 LYS 26 far 0 64 0 - 5.0-17.9 HG2 LYS 26 - HB2 LYS 24 far 0 95 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 100 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 99 0 - 5.8-19.4 QB ALA 34 - HB2 LYS 24 far 0 65 0 - 6.3-23.8 HG13 ILE 32 - HB2 LYS 19 far 0 98 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 78 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 99 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 80 0 - 8.4-20.7 QB ALA 34 - HB2 LYS 31 far 0 63 0 - 8.5-10.8 HG3 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.6-17.4 QB ALA 34 - HB2 LYS 39 far 0 29 0 - 8.7-13.1 HG3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 93 0 - 9.3-19.5 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 38 assignments used, quality = 1.00: HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 * HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 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 99 99 100 100 2.0-4.0 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 43 43 100 100 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 31 41 75 99 4.0-5.7 ~11901=46...(21) HD3 LYS 26 - HB2 LYS 31 far 15 99 15 - 2.6-13.4 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.8-12.9 HD3 LYS 31 - HB2 LYS 19 far 5 99 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 31 lone 2 99 25 8 2.4-13.9 6347/809=4, 6335/6331=2 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.6-14.8 HD2 LYS 19 - HB2 LYS 31 far 0 93 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 93 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 96 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 97 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 97 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 97 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 97 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 96 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 96 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 95 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.1-20.0 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 38 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.0 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.1-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 41 41 100 100 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 32 43 75 99 4.0-5.7 ~11901=46...(21) HD3 LYS 26 - HB2 LYS 31 far 15 99 15 - 2.6-13.4 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.8-12.9 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 31 lone 2 99 25 8 2.4-13.9 6347/809=4, 6335/6331=2 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 99 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.6-14.8 HD2 LYS 19 - HB2 LYS 31 far 0 94 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 94 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 95 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 97 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 96 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 97 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 96 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 97 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 95 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 96 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.1-20.0 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 39 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.1-4.6 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.0-4.4 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 1.9-4.8 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 95 95 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 95 95 100 100 2.0-5.1 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 93 93 100 100 3.1-5.4 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 33 33 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 28 28 100 100 3.6-5.3 4.9=100 HE3 LYS 26 - HB2 LYS 31 poor 19 93 20 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 26 far 15 97 15 - 6.3-15.1 HE2 LYS 31 - HB2 LYS 19 far 15 97 15 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 26 far 14 95 15 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 19 far 10 100 10 - 5.7-16.4 HE3 LYS 24 - HB2 LYS 19 far 10 99 10 - 6.2-16.4 HE2 LYS 31 - HB2 LYS 24 far 10 98 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 24 far 10 96 10 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 9 94 10 - 5.1-22.2 HE3 LYS 26 - HB2 LYS 24 poor 7 96 25 29 3.2-10.9 9587/11151=23 HE2 LYS 24 - HB2 LYS 26 far 5 100 5 - 7.5-13.7 HE3 LYS 24 - HB2 LYS 26 far 5 99 5 - 6.0-13.1 HE2 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 99 5 - 7.6-13.8 HE3 LYS 19 - HB2 LYS 31 far 5 96 5 - 5.1-19.0 HE2 LYS 26 - HB2 LYS 24 lone 4 96 30 16 3.9-12.6 9587/11151=11 HE2 LYS 26 - HB2 LYS 31 lone 3 93 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 94 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 98 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 53 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 98 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 47 0 - 9.8-11.7 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 37 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.8-5.4 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.1-4.6 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.9-4.8 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 3.1-5.4 4.8=100 HE3 LYS 26 - HB2 LYS 31 poor 20 98 20 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE2 LYS 31 - HB2 LYS 19 far 15 99 15 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 26 far 15 99 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-19.9 HE3 LYS 24 - HB2 LYS 19 far 10 100 10 - 6.2-16.4 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 10 99 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 poor 7 99 25 29 3.2-10.9 9587/11151=23 HE3 LYS 24 - HB2 LYS 26 far 5 100 5 - 6.0-13.1 HE3 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.6-19.1 HE2 LYS 24 - HB2 LYS 26 far 5 99 5 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 5 98 5 - 7.6-13.8 HE2 LYS 26 - HB2 LYS 24 lone 5 99 30 16 3.9-12.6 9587/11151=11 HE2 LYS 26 - HB2 LYS 31 lone 3 98 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 99 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 40 0 - 9.8-11.7 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 1.9-3.9 6232=100, 6233/1.8=92...(14) H THR 25 - HB2 LYS 26 far 5 100 5 - 4.5-6.9 H THR 25 - HB2 LYS 31 far 0 99 0 - 6.5-15.3 H THR 25 - HB2 LYS 19 far 0 100 0 - 7.3-15.6 HD22 ASN 85 - HB2 LYS 39 far 0 37 0 - 8.7-12.3 Violated in 0 structures by 0.00 A. Peak 501 from cnoeabs.peaks (8.37, 1.81, 32.73 ppm; 3.55 A): 6 out of 23 assignments used, quality = 1.00: * H LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 6220/1.8=84, 6214=81...(19) H LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.6-3.7 6251=99, 6250/1.8=93...(29) H LYS 19 + HB3 LYS 19 OK 81 82 100 100 3.5-4.0 3.9=73, 6149/1.8=66...(35) H GLN 27 + HB3 LYS 26 OK 81 82 100 99 1.8-3.3 6263=77, 6262/1.8=62...(12) H ASP 35 + HB2 LYS 36 OK 69 82 95 88 4.1-5.3 6387/6392=53, 10884=28...(11) H LYS 86 + HB2 LYS 86 OK 28 30 100 94 2.1-3.6 4.0=71, 7140/1.8=30...(15) H LYS 26 - HB3 LYS 24 far 10 100 10 - 2.9-7.3 H GLN 27 - HB3 LYS 31 far 8 83 10 - 3.7-11.3 H LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 H GLN 27 - HB3 LYS 24 far 0 85 0 - 5.3-10.7 H ASP 35 - HB3 LYS 19 far 0 88 0 - 5.7-23.3 H LYS 24 - HB3 LYS 19 far 0 100 0 - 5.9-11.7 H GLN 27 - HB3 LYS 19 far 0 84 0 - 5.9-17.3 H LYS 24 - HB3 LYS 26 far 0 99 0 - 6.0-9.6 H LYS 26 - HB3 LYS 31 far 0 100 0 - 6.5-13.6 H ASP 35 - HB3 LYS 26 far 0 86 0 - 7.1-17.5 H LYS 19 - HB3 LYS 31 far 0 81 0 - 7.6-19.8 H LYS 19 - HB3 LYS 24 far 0 83 0 - 8.1-15.8 H LYS 26 - HB3 LYS 19 far 0 100 0 - 8.6-16.8 H GLY 14 - HB3 LYS 19 far 0 100 0 - 8.7-17.2 H ASP 35 - HB3 LYS 24 far 0 89 0 - 9.9-27.3 H ASP 35 - HB3 LYS 31 far 0 87 0 - 9.9-11.4 H LYS 26 - HB2 LYS 36 far 0 96 0 - 10.0-18.3 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 12 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-2.9 482=100, 491/1.8=64...(30) HA2 GLY 75 - HB3 LYS 19 far 0 88 0 - 4.5-28.3 HA LYS 24 - HB3 LYS 26 far 0 99 0 - 6.3-10.1 HA LYS 24 - HB3 LYS 31 far 0 100 0 - 6.6-19.1 HA PRO 81 - HB2 LYS 86 far 0 61 0 - 7.1-10.1 HA TYR 76 - HB3 LYS 19 far 0 75 0 - 7.8-29.8 HA LYS 24 - HB3 LYS 19 far 0 100 0 - 8.4-13.6 HA2 GLY 75 - HB2 LYS 36 far 0 82 0 - 8.7-13.8 HA TYR 76 - HB2 LYS 36 far 0 69 0 - 9.1-11.6 HA TYR 76 - HB2 LYS 86 far 0 39 0 - 9.2-10.3 HA LEU 69 - HB2 LYS 36 far 0 96 0 - 9.4-13.2 HA2 GLY 75 - HB2 LYS 86 far 0 48 0 - 9.5-11.9 Violated in 4 structures by 0.01 A. Peak 503 from cnoeabs.peaks (1.75, 1.81, 32.73 ppm; 2.50 A): 4 out of 26 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 HB2 LYS 31 - HB3 LYS 26 far 5 98 5 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 3.4-9.6 HB ILE 80 - HB2 LYS 86 far 0 57 0 - 3.4-5.1 HG3 ARG 90 - HB2 LYS 86 far 0 51 0 - 4.3-7.2 HB2 LYS 26 - HB3 LYS 31 far 0 99 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 98 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 97 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 99 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 99 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 99 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-24.5 HG13 ILE 129 - HB2 LYS 86 far 0 61 0 - 9.7-13.6 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 42 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.7-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.9-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.7-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 24 far 10 100 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 19 far 5 99 5 - 2.9-15.3 QB ALA 28 - HB3 LYS 26 far 5 98 5 - 4.3-7.7 HG3 LYS 31 - HB3 LYS 26 far 5 94 5 - 3.9-13.1 QB ALA 16 - HB3 LYS 31 far 3 69 5 - 3.9-19.7 QB ALA 29 - HB2 LYS 36 far 0 96 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 99 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 100 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 70 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 100 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 82 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 100 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 99 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 99 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 100 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 99 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 100 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 100 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 99 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 90 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 65 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 92 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 91 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 89 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 99 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 81 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 100 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 68 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 96 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 83 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 506 from cnoeabs.peaks (1.45, 1.81, 32.73 ppm; 3.94 A): 7 out of 34 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-2.8 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-2.6 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 74 74 100 100 2.6-2.8 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 36 36 100 100 2.5-2.9 3.0=100 HG3 LYS 86 + HB2 LYS 86 OK 30 30 100 100 2.2-3.0 3.0=100 HG13 ILE 32 - HB3 LYS 26 poor 19 97 20 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 10 98 10 - 3.1-12.9 HG2 LYS 26 - HB3 LYS 24 far 5 95 5 - 4.7-10.8 QB ALA 34 - HB3 LYS 19 far 3 64 5 - 2.0-20.6 HG13 ILE 32 - HB3 LYS 31 far 0 98 0 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 31 far 0 93 0 - 5.2-13.4 QB ALA 34 - HB3 LYS 26 far 0 63 0 - 5.4-16.7 HG13 ILE 32 - HB3 LYS 19 far 0 98 0 - 5.4-19.7 QB ALA 34 - HB2 LYS 36 far 0 59 0 - 5.5-6.5 HG2 LYS 31 - HB3 LYS 19 far 0 99 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 94 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 96 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 99 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 89 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 100 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 65 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 94 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 99 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 79 0 - 8.7-13.8 QB ALA 34 - HB3 LYS 31 far 0 64 0 - 8.8-11.6 QB ALA 92 - HB2 LYS 86 far 0 50 0 - 8.9-9.9 HG3 LYS 36 - HB3 LYS 26 far 0 78 0 - 9.1-20.8 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 48 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 94 95 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 94 95 100 100 2.9-3.9 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 93 93 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 93 93 100 100 2.2-3.5 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.6-3.7 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 99 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 0 94 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 38 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 94 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 97 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 38 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 93 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 93 0 - 9.8-19.8 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 48 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 2.3-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.9-3.9 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.2-3.5 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.6-3.7 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.3-19.1 HD3 LYS 26 - HB3 LYS 31 far 5 99 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 0 95 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 39 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 95 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 96 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 97 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 39 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 95 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 96 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 94 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 95 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 94 0 - 9.8-19.8 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 46 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.6-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.4-4.7 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.4-5.3 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.4 4.9=100 HE3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.2-5.5 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.5-5.4 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 19 95 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 15 97 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 14 96 15 - 2.2-9.7 HE2 LYS 24 - HB3 LYS 19 far 10 100 10 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 19 far 10 99 10 - 5.9-15.4 HE3 LYS 26 - HB3 LYS 31 far 9 94 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 9 94 10 - 6.0-15.4 HE3 LYS 31 - HB2 LYS 36 far 9 90 10 - 6.7-12.2 HE2 LYS 19 - HB3 LYS 24 far 5 100 5 - 7.3-17.6 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.4-20.0 HE3 LYS 24 - HB3 LYS 31 far 5 99 5 - 7.5-21.6 HE2 LYS 31 - HB3 LYS 24 far 5 98 5 - 5.0-21.5 HE3 LYS 24 - HB3 LYS 26 far 5 98 5 - 7.0-14.0 HE3 LYS 19 - HB3 LYS 31 far 5 97 5 - 4.4-20.0 HE3 LYS 31 - HB3 LYS 24 far 5 96 5 - 5.6-21.1 HE2 LYS 26 - HB3 LYS 19 far 5 95 5 - 6.7-19.5 HE2 LYS 31 - HB2 LYS 36 far 5 93 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 4 90 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 4 90 5 - 6.2-21.1 HE2 LYS 26 - HB3 LYS 24 lone 3 96 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 96 35 8 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 93 30 7 6.8-13.2 9008/10751=3, 10840/10898=2 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 95 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 89 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 93 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 98 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 48 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 98 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 99 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 46 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 3.5-5.4 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 20 99 20 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 15 99 15 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 15 100 15 - 6.1-19.6 HE3 LYS 24 - HB3 LYS 19 far 10 100 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 99 10 - 6.3-15.6 HE3 LYS 26 - HB3 LYS 31 far 10 99 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 99 10 - 6.0-15.4 HE3 LYS 31 - HB2 LYS 36 far 9 95 10 - 6.7-12.2 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.0-21.5 HE3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 24 far 5 100 5 - 7.3-17.6 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.4-20.0 HE3 LYS 24 - HB3 LYS 31 far 5 100 5 - 7.5-21.6 HE2 LYS 26 - HB3 LYS 19 far 5 99 5 - 6.7-19.5 HE3 LYS 24 - HB3 LYS 26 far 5 99 5 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 5 96 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 5 95 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 95 5 - 6.2-21.1 HE2 LYS 26 - HB3 LYS 24 lone 3 99 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 99 35 8 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 98 30 8 6.8-13.2 9008/10751=3, 10840/10898=2 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 78 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 98 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 39 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 98 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 99 0 - 10.0-19.9 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 2.4-3.4 6233=100, 6232/1.8=86...(19) H PHE 87 + HB2 LYS 86 OK 53 54 100 100 2.7-3.7 7157/1.8=71, 7156=71...(15) H THR 25 - HB3 LYS 26 far 0 99 0 - 5.3-7.4 H THR 25 - HB3 LYS 31 far 0 100 0 - 6.3-15.7 H GLU 91 - HB2 LYS 86 far 0 41 0 - 6.6-8.4 H THR 25 - HB3 LYS 19 far 0 100 0 - 6.7-14.3 HD22 ASN 85 - HB2 LYS 86 far 0 43 0 - 7.6-9.7 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 23 assignments used, quality = 1.00: * H LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.8-3.5 6222=100, 6223/1.8=94...(32) H LYS 26 + HG3 LYS 26 OK 99 99 100 100 1.8-2.5 6253=100, 6252/1.8=94...(48) H GLN 27 + HG3 LYS 26 OK 82 82 100 100 1.9-4.5 6265=77, 6262/3.0=65...(16) H LYS 19 + HG2 LYS 19 OK 57 57 100 100 1.9-3.0 4.9=76, 6149/3.0=67...(52) H GLN 27 - HG3 LYS 31 far 7 67 10 - 4.2-12.6 H LYS 26 - HG2 LYS 24 far 5 100 5 - 5.3-8.4 H LYS 24 - HG3 LYS 26 far 5 99 5 - 3.4-9.3 H ASP 35 - HG2 LYS 36 far 3 62 5 - 3.3-6.8 H LYS 19 - HG3 LYS 31 far 0 65 0 - 5.5-20.8 H LYS 24 - HG3 LYS 31 far 0 86 0 - 6.2-19.6 H ASP 35 - HG3 LYS 26 far 0 86 0 - 6.3-19.0 H LYS 19 - HG2 LYS 24 far 0 83 0 - 6.3-13.6 H LYS 26 - HG3 LYS 31 far 0 86 0 - 6.8-14.2 H LYS 24 - HG2 LYS 19 far 0 77 0 - 7.5-11.4 H GLN 27 - HG2 LYS 24 far 0 85 0 - 7.8-11.8 H ASP 35 - HG2 LYS 19 far 0 62 0 - 7.8-25.6 H GLY 14 - HG2 LYS 19 far 0 77 0 - 8.0-14.7 H ASP 35 - HG3 LYS 31 far 0 71 0 - 8.2-11.3 H GLN 27 - HG2 LYS 19 far 0 59 0 - 8.7-16.3 H ASP 35 - HG2 LYS 24 far 0 89 0 - 9.4-27.7 H LYS 26 - HG2 LYS 36 far 0 77 0 - 9.6-21.0 H THR 65 - HG3 LYS 26 far 0 94 0 - 9.7-36.3 H LYS 26 - HG2 LYS 19 far 0 77 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 513 from cnoeabs.peaks (4.33, 1.38, 24.62 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-3.5 483=100, 484/1.8=73...(34) HA LYS 24 - HG3 LYS 31 far 0 86 0 - 4.7-20.7 HA2 GLY 75 - HG2 LYS 19 far 0 62 0 - 4.9-30.5 HA LYS 24 - HG3 LYS 26 far 0 99 0 - 5.0-9.3 HA LEU 69 - HG2 LYS 36 far 0 76 0 - 8.1-11.9 HA TYR 76 - HG2 LYS 36 far 0 51 0 - 8.6-10.9 HA2 GLY 75 - HG3 LYS 26 far 0 86 0 - 9.0-27.0 HA TYR 76 - HG2 LYS 19 far 0 51 0 - 9.3-31.7 HA2 GLY 75 - HG2 LYS 36 far 0 62 0 - 9.4-12.7 Violated in 5 structures by 0.01 A. Peak 514 from cnoeabs.peaks (1.75, 1.38, 24.62 ppm; 3.90 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-2.9 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 2.4-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.4-2.9 3.0=100 HB2 ARG 23 - HG3 LYS 26 far 10 97 10 - 4.1-11.6 HB2 LYS 26 - HG3 LYS 31 far 9 86 10 - 4.2-14.0 HB2 LYS 24 - HG3 LYS 26 far 5 99 5 - 3.5-10.3 HB2 ARG 23 - HG2 LYS 24 far 5 99 5 - 4.5-7.5 HB2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 74 0 - 5.5-9.9 HB2 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.0-18.8 HB2 LYS 26 - HG2 LYS 24 far 0 100 0 - 6.0-10.8 HB2 ARG 23 - HG3 LYS 31 far 0 83 0 - 6.0-20.0 HB2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 100 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 86 0 - 6.9-19.1 HB2 LYS 26 - HG2 LYS 19 far 0 77 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 76 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 76 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 66 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.4-18.8 HB2 LEU 43 - HG2 LYS 36 far 0 57 0 - 9.5-14.5 HB2 LYS 26 - HG2 LYS 36 far 0 76 0 - 9.9-20.9 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 2.7-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.7-3.0 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 2.7-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.9-3.0 3.0=100 HB3 LYS 24 - HG3 LYS 26 far 10 99 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 10 96 10 - 2.4-11.0 HB3 LYS 26 - HG3 LYS 31 far 4 85 5 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 0 85 0 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 0 82 0 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 99 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 98 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 100 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 73 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 76 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 76 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 100 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 77 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 86 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 99 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 76 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 100 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 47 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 76 0 - 9.9-14.8 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 31 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 85 85 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 77 77 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 55 55 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 10 97 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 4 83 5 - 3.1-8.2 QB ALA 34 - HG3 LYS 26 far 0 63 0 - 4.1-17.6 QB ALA 34 - HG2 LYS 19 far 0 43 0 - 4.4-22.3 HG2 LYS 26 - HG3 LYS 31 far 0 77 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.2-11.1 QB ALA 34 - HG2 LYS 36 far 0 43 0 - 5.8-7.4 HG2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 76 0 - 6.4-19.9 QB ALA 34 - HG2 LYS 24 far 0 65 0 - 6.7-25.2 HG13 ILE 32 - HG2 LYS 19 far 0 74 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 95 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 74 0 - 7.4-11.7 QB ALA 34 - HG3 LYS 31 far 0 50 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 78 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 76 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 86 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 100 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 86 0 - 8.1-21.8 HG3 LYS 36 - HG3 LYS 31 far 0 63 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 99 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 68 0 - 9.0-22.2 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 43 assignments used, quality = 1.00: * HD2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.2-3.0 2.9=100 HD3 LYS 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 72 72 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 69 69 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 86 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 86 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 77 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 78 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 77 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 96 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 76 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 96 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 78 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 77 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 82 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 77 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 86 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 77 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 60 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 93 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 62 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 77 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 82 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 519 from cnoeabs.peaks (1.66, 1.38, 24.62 ppm; 3.71 A): 10 out of 43 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 86 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 86 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 77 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 80 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 77 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 76 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 95 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 80 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 77 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 77 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 86 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 95 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 77 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 62 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 94 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 60 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 77 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 81 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 520 from cnoeabs.peaks (2.96, 1.38, 24.62 ppm; 4.52 A): 10 out of 43 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.0-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 93 93 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 93 93 100 100 2.0-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 82 82 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 78 78 100 100 2.0-4.2 3.7=100 HE2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.7-4.1 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 75 75 100 100 2.2-4.0 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 73 73 100 100 2.2-4.2 3.8=100 HE2 LYS 31 - HG2 LYS 24 far 5 98 5 - 4.0-21.2 HE3 LYS 24 - HG3 LYS 26 far 5 98 5 - 4.3-13.1 HE3 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 5 96 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 5 96 5 - 4.8-12.5 HE3 LYS 26 - HG3 LYS 31 far 4 78 5 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 96 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 82 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 78 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 86 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 93 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 68 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 69 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 69 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 77 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 69 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 86 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 84 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 69 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 75 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 73 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 69 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 98 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 69 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 84 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 72 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 86 0 - 9.1-12.9 HG CYS 73 - HG2 LYS 36 far 0 58 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 41 0 - 9.9-17.4 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 42 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 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.0-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 84 84 100 100 2.0-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.2-4.0 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.7-4.1 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.0-4.2 4.0=100 HE2 LYS 31 - HG2 LYS 24 far 5 100 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.8-12.5 HE3 LYS 24 - HG3 LYS 26 far 5 99 5 - 4.3-13.1 HE3 LYS 26 - HG3 LYS 31 far 4 84 5 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 84 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 84 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 58 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 75 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 75 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 75 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 75 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 86 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 75 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 77 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 77 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 75 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 100 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 75 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 86 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 76 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 85 0 - 9.1-12.9 HG CYS 73 - HG2 LYS 36 far 0 47 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 522 from cnoeabs.peaks (8.10, 1.38, 24.62 ppm; 4.88 A): 2 out of 4 assignments used, quality = 1.00: * H THR 25 + HG2 LYS 24 OK 100 100 100 100 1.9-5.0 6234=100, 6231/483=94...(23) H THR 25 + HG3 LYS 26 OK 30 99 30 99 3.0-6.6 3.0/11150=87...(22) H THR 25 - HG3 LYS 31 far 0 86 0 - 6.7-17.4 H THR 25 - HG2 LYS 19 far 0 77 0 - 9.0-14.3 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 21 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...(31) H LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.7-4.0 4.9=85, 6149/3.0=69...(51) H LYS 26 + HG2 LYS 26 OK 82 82 100 100 3.2-3.8 6253/1.8=97, 6250/3.0=95...(52) H GLN 27 + HG2 LYS 26 OK 63 63 100 100 2.3-4.4 5.0=80, 6265/1.8=75...(17) H GLN 27 - HG2 LYS 31 far 12 79 15 - 3.8-12.1 H ASP 35 - HG2 LYS 26 far 7 66 10 - 5.3-18.5 H LYS 26 - HG3 LYS 24 far 5 100 5 - 5.0-8.8 H LYS 24 - HG2 LYS 26 far 4 82 5 - 4.2-10.5 H LYS 19 - HG2 LYS 31 far 4 77 5 - 5.4-21.3 H LYS 24 - HG2 LYS 31 far 0 97 0 - 5.7-19.5 H LYS 26 - HG2 LYS 31 far 0 97 0 - 6.1-14.5 H GLY 14 - HG3 LYS 19 far 0 100 0 - 7.0-15.8 H ASP 35 - HG3 LYS 19 far 0 88 0 - 7.1-25.2 H GLN 27 - HG3 LYS 24 far 0 85 0 - 7.1-12.5 H LYS 24 - HG3 LYS 19 far 0 100 0 - 7.2-11.9 H GLN 27 - HG3 LYS 19 far 0 84 0 - 7.7-16.2 H LYS 19 - HG3 LYS 24 far 0 83 0 - 7.8-14.3 H ASP 35 - HG2 LYS 31 far 0 83 0 - 8.7-11.2 H LYS 26 - HG3 LYS 19 far 0 100 0 - 9.3-17.2 H LYS 19 - HG2 LYS 26 far 0 61 0 - 9.7-19.7 H THR 65 - HG2 LYS 26 far 0 75 0 - 10.0-36.5 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 7 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.4-4.1 484=100, 483/1.8=92...(34) HA2 GLY 75 - HG3 LYS 19 far 4 88 5 - 3.2-29.6 HA LYS 24 - HG2 LYS 31 far 0 97 0 - 4.7-20.3 HA LYS 24 - HG2 LYS 26 far 0 82 0 - 6.3-10.5 HA TYR 76 - HG3 LYS 19 far 0 75 0 - 7.5-31.7 HA2 GLY 75 - HG2 LYS 26 far 0 66 0 - 8.9-26.8 HA LYS 24 - HG3 LYS 19 far 0 100 0 - 9.9-13.7 Violated in 4 structures by 0.02 A. Peak 525 from cnoeabs.peaks (1.75, 1.45, 24.62 ppm; 4.19 A): 4 out of 20 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 2.7-3.0 3.0=100 HB2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.3-3.0 3.0=100 HB2 LYS 26 - HG2 LYS 31 far 10 97 10 - 3.3-13.1 HB2 ARG 23 - HG2 LYS 26 far 8 78 10 - 3.3-12.5 HB2 ARG 23 - HG2 LYS 31 far 5 95 5 - 5.0-19.9 HB2 LYS 31 - HG2 LYS 26 lone 1 81 25 7 4.2-12.5 809/831=4, 6331/821=1 HB2 LYS 24 - HG2 LYS 26 far 0 82 0 - 5.1-11.3 HB2 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 98 0 - 5.6-9.7 HB2 LYS 19 - HG2 LYS 31 far 0 97 0 - 5.8-19.4 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 6.2-8.2 HB2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 100 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.7-18.0 HB2 LYS 31 - HG3 LYS 19 far 0 100 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 81 0 - 9.3-19.5 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 25 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-2.8 2.9=100 HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.2-2.6 3.0=100 HB ILE 32 - HG2 LYS 26 far 12 81 15 - 4.2-14.8 HB3 LYS 26 - HG2 LYS 31 far 10 96 10 - 3.1-12.9 HB3 ARG 23 - HG2 LYS 26 far 8 77 10 - 2.9-12.1 HB3 ARG 23 - HG2 LYS 31 far 5 94 5 - 4.3-19.5 HB3 LYS 24 - HG2 LYS 26 far 4 82 5 - 4.7-10.8 HB3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.2-13.4 HB3 ARG 23 - HG3 LYS 24 far 0 98 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 97 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 100 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 98 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 97 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 97 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 100 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 81 0 - 7.1-19.6 HB3 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 82 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.6-17.8 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 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 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 91 91 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 82 82 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 26 far 8 81 10 - 3.2-8.8 QB ALA 16 - HG2 LYS 31 far 3 66 5 - 2.7-21.2 QB ALA 16 - HG3 LYS 19 far 0 70 0 - 3.7-9.6 QB ALA 29 - HG2 LYS 26 far 0 82 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 100 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 75 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 100 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 97 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 97 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 82 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 100 0 - 5.3-14.6 HG2 LYS 24 - HG2 LYS 31 far 0 97 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 97 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 87 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 97 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 100 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 100 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.3-11.8 HG2 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.6-15.4 HG3 LYS 31 - HG3 LYS 19 far 0 96 0 - 8.0-19.1 HG2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 70 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 100 0 - 8.1-44.1 HG3 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 92 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 82 0 - 9.0-22.2 QB ALA 16 - HG3 LYS 24 far 0 71 0 - 9.6-16.6 QB ALA 12 - HG3 LYS 24 far 0 83 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 100 0 - 9.9-18.6 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 33 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 2.6-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 95 95 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 95 95 100 100 2.4-3.0 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 2.3-2.9 2.9=100 HD2 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.7-12.6 HD2 LYS 26 - HG2 LYS 31 far 5 97 5 - 4.4-16.1 HD3 LYS 26 - HG2 LYS 31 far 5 97 5 - 3.8-15.2 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 82 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 77 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 91 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 94 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 77 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 91 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 94 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 74 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 96 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 100 0 - 9.9-15.8 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 33 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 2.6-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.4-3.0 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 2.3-2.9 2.9=100 HD3 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.9-13.0 HD2 LYS 26 - HG2 LYS 31 far 5 97 5 - 4.4-16.1 HD3 LYS 26 - HG2 LYS 31 far 5 97 5 - 3.8-15.2 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 82 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 76 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 92 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 93 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 76 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 92 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 93 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 75 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 97 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 100 0 - 9.9-15.8 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 34 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.1-4.0 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.0-4.2 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 2.3-4.2 3.6=100 HE2 LYS 26 - HG3 LYS 24 far 10 96 10 - 4.0-12.7 HE2 LYS 31 - HG3 LYS 24 far 5 98 5 - 5.6-22.4 HE3 LYS 26 - HG3 LYS 24 far 5 96 5 - 4.4-11.8 HE3 LYS 26 - HG2 LYS 31 far 5 91 5 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 26 far 4 80 5 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 96 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 91 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 95 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 77 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 95 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 94 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 98 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 74 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 96 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 96 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 95 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 99 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 80 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 82 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 81 0 - 9.8-20.6 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 34 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.1-4.0 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 2.3-4.2 3.6=100 HE2 LYS 26 - HG3 LYS 24 far 10 99 10 - 4.0-12.7 HE2 LYS 31 - HG3 LYS 24 far 5 100 5 - 5.6-22.4 HE3 LYS 26 - HG3 LYS 24 far 5 99 5 - 4.4-11.8 HE3 LYS 26 - HG2 LYS 31 far 5 96 5 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 26 far 4 82 5 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 99 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 96 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 99 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 81 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 99 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 96 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 97 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 80 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 80 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 99 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 82 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 81 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 81 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 534 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 11 out of 48 assignments used, quality = 1.00: * H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-5.5 5.9=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-5.0 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 1.8-4.9 5.7=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.6 5.7=100 H GLN 27 + HD2 LYS 26 OK 85 85 100 100 2.7-5.8 6262/3.5=77, 6263/3.5=77...(20) H GLN 27 + HD3 LYS 26 OK 84 84 100 100 3.9-5.8 6262/3.5=77, 6263/3.5=77...(20) H ASP 35 + HD2 LYS 36 OK 75 79 100 94 3.5-6.7 6387/6.1=74...(7) H ASP 35 + HD3 LYS 36 OK 75 79 100 94 3.2-6.5 6387/6.1=74...(7) H LYS 19 + HD2 LYS 19 OK 66 66 100 100 1.9-4.9 6.2=100 H LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.0-5.4 6.2=100 H LYS 26 + HD3 LYS 24 OK 24 100 35 69 5.4-9.8 4.6/544=55, 582/11832=30 H LYS 24 - HD2 LYS 26 poor 20 100 20 - 3.0-11.9 H LYS 26 - HD2 LYS 24 far 15 100 15 - 6.4-10.1 H LYS 24 - HD3 LYS 26 far 15 100 15 - 4.3-11.4 H GLY 14 - HD3 LYS 19 far 13 86 15 - 5.9-15.0 H ASP 35 - HD2 LYS 26 poor 11 89 30 43 5.5-20.4 10884/10833=23...(3) H GLY 14 - HD2 LYS 19 far 9 86 10 - 7.1-14.6 H ASP 35 - HD3 LYS 26 poor 8 88 30 29 4.7-19.3 11784/10837=24, 9416/10829=2 H LYS 24 - HD3 LYS 31 far 5 100 5 - 6.3-19.9 H LYS 24 - HD2 LYS 31 far 5 100 5 - 6.9-19.7 H THR 65 - HD2 LYS 26 far 5 96 5 - 7.1-38.2 H ASP 35 - HD2 LYS 31 far 4 89 5 - 7.3-12.0 H ASP 35 - HD3 LYS 31 far 4 89 5 - 7.4-12.3 H ASP 35 - HD3 LYS 24 far 4 89 5 - 7.5-29.2 H GLN 27 - HD3 LYS 24 far 4 85 5 - 7.6-12.1 H LYS 19 - HD3 LYS 31 far 4 83 5 - 4.6-21.9 H LYS 19 - HD2 LYS 31 far 4 83 5 - 6.2-22.2 H GLN 27 - HD2 LYS 31 lone 1 85 40 3 5.0-12.1 H GLN 27 - HD3 LYS 31 lone 1 85 30 3 5.6-12.0 H LYS 19 - HD2 LYS 24 far 0 83 0 - 7.7-16.5 H LYS 19 - HD2 LYS 26 far 0 83 0 - 8.0-21.5 H THR 65 - HD3 LYS 26 far 0 96 0 - 8.0-37.0 H GLN 27 - HD2 LYS 19 far 0 68 0 - 8.1-18.3 H LYS 19 - HD3 LYS 26 far 0 82 0 - 8.2-21.4 H LYS 26 - HD3 LYS 31 far 0 100 0 - 8.3-16.4 H LYS 26 - HD2 LYS 31 far 0 100 0 - 8.3-16.6 H GLN 27 - HD2 LYS 24 far 0 85 0 - 8.4-13.3 H LYS 24 - HD2 LYS 19 far 0 87 0 - 8.5-13.9 H LYS 19 - HD3 LYS 24 far 0 83 0 - 8.6-16.1 H GLN 27 - HD3 LYS 19 far 0 68 0 - 8.7-18.5 H ASP 35 - HD3 LYS 19 far 0 71 0 - 8.7-26.6 H ASP 35 - HD2 LYS 19 far 0 71 0 - 8.9-25.7 H ASP 35 - HD2 LYS 24 far 0 89 0 - 9.0-29.0 H GLY 14 - HD3 LYS 31 far 0 100 0 - 9.1-29.9 H LYS 26 - HD2 LYS 36 far 0 94 0 - 9.1-19.8 H LYS 24 - HD3 LYS 19 far 0 87 0 - 9.5-13.6 H GLY 14 - HD2 LYS 31 far 0 100 0 - 9.7-29.0 H GLN 27 - HD2 LYS 36 far 0 75 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 535 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 3.86 A): 2 out of 18 assignments used, quality = 1.00: HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-4.5 483/3.0=73, 482/3.5=67...(32) * HA LYS 24 + HD2 LYS 24 OK 80 100 80 100 2.2-4.9 483/3.0=73, 482/3.5=67...(32) HA LYS 24 - HD2 LYS 26 far 5 100 5 - 4.5-11.7 HA LYS 24 - HD3 LYS 31 far 5 100 5 - 4.7-21.6 HA2 GLY 75 - HD3 LYS 19 far 4 71 5 - 4.1-31.9 HA LYS 24 - HD2 LYS 31 far 0 100 0 - 4.8-21.6 HA LYS 24 - HD3 LYS 26 far 0 100 0 - 5.2-11.3 HA2 GLY 75 - HD2 LYS 19 far 0 71 0 - 5.2-30.8 HA2 GLY 75 - HD3 LYS 36 far 0 79 0 - 7.2-12.0 HA TYR 76 - HD3 LYS 36 far 0 66 0 - 7.3-10.2 HA2 GLY 75 - HD2 LYS 36 far 0 79 0 - 7.6-13.6 HA LEU 69 - HD2 LYS 36 far 0 93 0 - 7.7-11.5 HA LEU 69 - HD3 LYS 36 far 0 93 0 - 7.9-10.7 HA TYR 76 - HD2 LYS 36 far 0 66 0 - 8.1-11.9 HA TYR 76 - HD3 LYS 19 far 0 59 0 - 8.7-32.5 HA2 GLY 75 - HD3 LYS 26 far 0 88 0 - 8.9-28.7 HA TYR 76 - HD2 LYS 19 far 0 59 0 - 9.5-32.0 HA2 GLY 75 - HD2 LYS 26 far 0 89 0 - 9.8-29.0 Violated in 3 structures by 0.01 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 + HD3 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 * HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-4.0 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 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.3-3.6 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 99 15 - 2.6-13.4 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.8-12.9 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 ARG 23 - HD2 LYS 26 far 5 99 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 24 far 5 99 5 - 4.6-9.3 HB2 LYS 31 - HD2 LYS 26 lone 2 100 25 8 2.4-13.9 809/6347=4, 6331/6335=2 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 5.4-10.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 0 98 0 - 5.5-13.8 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 86 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 83 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 86 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 93 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 94 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 83 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 94 0 - 8.3-21.2 HB2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.6-16.5 HB2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 87 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 93 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 86 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 537 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.22 A): 10 out of 63 assignments used, quality = 1.00: * HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-4.2 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 2.1-3.8 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.5 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.9-3.9 3.9=100 HB ILE 32 - HD2 LYS 31 poor 20 100 20 - 4.9-9.0 HB ILE 32 - HD2 LYS 26 poor 20 100 20 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 15 100 15 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 14 93 15 - 4.6-8.0 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB ILE 32 - HD3 LYS 26 far 10 99 10 - 4.8-14.9 HB3 ARG 23 - HD2 LYS 26 far 10 98 10 - 4.3-13.4 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.3-19.1 HB3 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-14.8 HB3 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 5 97 5 - 4.9-13.2 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 98 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 93 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 87 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 98 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 98 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 93 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 83 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 86 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 86 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 62 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 93 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 86 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.5-17.0 HB2 CYS 79 - HD2 LYS 36 far 0 62 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 86 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 90 0 - 9.8-24.4 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 87 assignments used, quality = 1.00: * HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 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 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.4-3.0 3.0=100 QB ALA 16 - HD3 LYS 19 poor 19 55 35 - 2.4-9.7 QB ALA 15 - HD2 LYS 19 poor 17 86 20 - 2.2-10.6 QB ALA 29 - HD2 LYS 26 far 15 100 15 - 4.1-12.5 QB ALA 28 - HD2 LYS 26 far 15 100 15 - 4.6-9.5 QB ALA 16 - HD2 LYS 19 poor 14 55 25 - 2.3-9.2 QB ALA 15 - HD3 LYS 19 far 13 86 15 - 3.1-10.4 HG3 LYS 31 - HD3 LYS 26 far 10 96 10 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 100 5 - 3.7-21.3 QB ALA 29 - HD3 LYS 26 far 5 100 5 - 4.6-11.8 HG3 LYS 31 - HD2 LYS 26 far 5 96 5 - 4.8-16.4 QB ALA 28 - HD2 LYS 19 far 4 86 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 86 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 31 far 4 71 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 4 71 5 - 4.1-20.4 HG2 LYS 24 - HD2 LYS 26 far 0 100 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 99 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 94 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 92 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 66 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 66 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 92 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 94 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 80 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 96 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 87 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 100 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 87 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 94 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 80 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 83 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 88 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 87 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 94 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 82 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 97 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 100 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 62 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 70 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 71 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 83 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 94 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 92 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 71 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 93 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 83 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 62 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 71 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 92 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 88 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 100 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 539 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 3.52 A): 10 out of 59 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 2.6-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-2.9 2.9=100 HG3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.4-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 71 71 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 71 71 100 100 2.3-2.9 3.0=100 HG13 ILE 32 - HD2 LYS 31 poor 20 99 20 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 poor 20 99 20 - 3.0-13.6 HG13 ILE 32 - HD3 LYS 31 far 15 99 15 - 3.4-9.5 HG13 ILE 32 - HD3 LYS 26 far 15 98 15 - 3.5-12.7 QB ALA 34 - HD2 LYS 26 far 7 65 10 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 far 6 64 10 - 2.0-17.7 HG3 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-12.6 HG2 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.4-16.1 HG2 LYS 31 - HD3 LYS 26 far 5 99 5 - 3.8-15.2 QB ALA 34 - HD3 LYS 36 far 0 57 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 50 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 65 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 50 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 57 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 94 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 80 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 92 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 65 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 95 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 80 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 85 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 86 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 93 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 81 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 92 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 80 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 94 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 85 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 86 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 93 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 84 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 84 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 78 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 87 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 9.9-15.8 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 89 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 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 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 HE3 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 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 2.4-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 100 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 98 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 100 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 87 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 87 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 96 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 96 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 96 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 97 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 96 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 96 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 98 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 96 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 98 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 90 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 87 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 85 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 85 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 96 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 96 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 90 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 90 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 83 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 90 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 87 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 75 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 83 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 85 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 75 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 94 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 543 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.78 A): 20 out of 89 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 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 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 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 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 2.2-3.0 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 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 + HD3 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.4-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 99 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 99 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 99 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 99 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 99 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 99 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 99 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 75 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 75 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 85 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 85 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 99 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 62 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 86 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 62 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 85 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.65 A): 2 out of 7 assignments used, quality = 0.98: H THR 25 + HD3 LYS 24 OK 95 100 95 100 2.4-5.7 6234/3.0=85, 6233/3.5=80...(12) * H THR 25 + HD2 LYS 24 OK 55 100 55 100 3.8-6.4 6234/3.0=85, 6233/3.5=80...(16) H THR 25 - HD2 LYS 26 poor 20 100 20 - 4.5-9.2 H THR 25 - HD3 LYS 26 far 10 100 10 - 4.7-8.9 H THR 25 - HD2 LYS 31 far 0 100 0 - 7.7-18.9 H THR 25 - HD3 LYS 31 far 0 100 0 - 7.8-18.8 H THR 25 - HD2 LYS 19 far 0 87 0 - 9.5-16.7 Violated in 7 structures by 0.04 A. Peak 545 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 11 out of 48 assignments used, quality = 1.00: * H LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-5.0 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 1.8-4.9 5.7=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-5.5 5.9=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.6 5.7=100 H GLN 27 + HD2 LYS 26 OK 85 85 100 100 2.7-5.8 6262/3.5=77, 6263/3.5=77...(20) H GLN 27 + HD3 LYS 26 OK 84 84 100 100 3.9-5.8 6262/3.5=77, 6263/3.5=77...(20) H ASP 35 + HD2 LYS 36 OK 72 77 100 94 3.5-6.7 6387/6.1=74...(7) H ASP 35 + HD3 LYS 36 OK 72 77 100 94 3.2-6.5 6387/6.1=74...(7) H LYS 19 + HD2 LYS 19 OK 68 68 100 100 1.9-4.9 6.2=100 H LYS 19 + HD3 LYS 19 OK 68 68 100 100 2.0-5.4 6.2=100 H LYS 26 + HD3 LYS 24 OK 24 100 35 69 5.4-9.8 4.6/544=55, 582/11832=30 H LYS 24 - HD3 LYS 26 far 15 100 15 - 4.3-11.4 H LYS 26 - HD2 LYS 24 far 15 100 15 - 6.4-10.1 H GLY 14 - HD3 LYS 19 far 13 89 15 - 5.9-15.0 H ASP 35 - HD2 LYS 26 poor 11 89 30 42 5.5-20.4 10884/10833=22...(3) H GLY 14 - HD2 LYS 19 far 9 89 10 - 7.1-14.6 H ASP 35 - HD3 LYS 26 poor 8 88 30 29 4.7-19.3 11784/10837=24, 9416/10829=2 H LYS 24 - HD3 LYS 31 far 5 100 5 - 6.3-19.9 H LYS 24 - HD2 LYS 31 far 5 100 5 - 6.9-19.7 H THR 65 - HD2 LYS 26 far 5 97 5 - 7.1-38.2 H ASP 35 - HD3 LYS 31 far 4 89 5 - 7.4-12.3 H ASP 35 - HD3 LYS 24 far 4 89 5 - 7.5-29.2 H ASP 35 - HD2 LYS 31 far 4 89 5 - 7.3-12.0 H GLN 27 - HD3 LYS 24 far 4 85 5 - 7.6-12.1 H LYS 19 - HD3 LYS 31 far 4 83 5 - 4.6-21.9 H LYS 19 - HD2 LYS 31 far 4 83 5 - 6.2-22.2 H LYS 24 - HD2 LYS 26 lone 3 100 20 16 3.0-11.9 6230/6237=12 H GLN 27 - HD2 LYS 31 lone 1 85 40 3 5.0-12.1 H GLN 27 - HD3 LYS 31 lone 1 85 30 3 5.6-12.0 H LYS 19 - HD2 LYS 24 far 0 83 0 - 7.7-16.5 H LYS 19 - HD2 LYS 26 far 0 83 0 - 8.0-21.5 H THR 65 - HD3 LYS 26 far 0 96 0 - 8.0-37.0 H GLN 27 - HD2 LYS 19 far 0 70 0 - 8.1-18.3 H LYS 19 - HD3 LYS 26 far 0 82 0 - 8.2-21.4 H LYS 26 - HD3 LYS 31 far 0 100 0 - 8.3-16.4 H LYS 26 - HD2 LYS 31 far 0 100 0 - 8.3-16.6 H GLN 27 - HD2 LYS 24 far 0 85 0 - 8.4-13.3 H LYS 24 - HD2 LYS 19 far 0 90 0 - 8.5-13.9 H LYS 19 - HD3 LYS 24 far 0 83 0 - 8.6-16.1 H GLN 27 - HD3 LYS 19 far 0 70 0 - 8.7-18.5 H ASP 35 - HD3 LYS 19 far 0 74 0 - 8.7-26.6 H ASP 35 - HD2 LYS 19 far 0 74 0 - 8.9-25.7 H ASP 35 - HD2 LYS 24 far 0 89 0 - 9.0-29.0 H GLY 14 - HD3 LYS 31 far 0 100 0 - 9.1-29.9 H LYS 26 - HD2 LYS 36 far 0 92 0 - 9.1-19.8 H LYS 24 - HD3 LYS 19 far 0 90 0 - 9.5-13.6 H GLY 14 - HD2 LYS 31 far 0 100 0 - 9.7-29.0 H GLN 27 - HD2 LYS 36 far 0 73 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 546 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 3.86 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-4.5 483/3.0=73, 482/3.5=67...(32) HA LYS 24 + HD2 LYS 24 OK 80 100 80 100 2.2-4.9 483/3.0=73, 482/3.5=67...(32) HA LYS 24 - HD2 LYS 26 far 5 100 5 - 4.5-11.7 HA LYS 24 - HD3 LYS 31 far 5 100 5 - 4.7-21.6 HA2 GLY 75 - HD3 LYS 19 far 4 74 5 - 4.1-31.9 HA LYS 24 - HD2 LYS 31 far 0 100 0 - 4.8-21.6 HA LYS 24 - HD3 LYS 26 far 0 100 0 - 5.2-11.3 HA2 GLY 75 - HD2 LYS 19 far 0 74 0 - 5.2-30.8 HA2 GLY 75 - HD3 LYS 36 far 0 77 0 - 7.2-12.0 HA TYR 76 - HD3 LYS 36 far 0 64 0 - 7.3-10.2 HA2 GLY 75 - HD2 LYS 36 far 0 77 0 - 7.6-13.6 HA LEU 69 - HD2 LYS 36 far 0 91 0 - 7.7-11.5 HA LEU 69 - HD3 LYS 36 far 0 91 0 - 7.9-10.7 HA TYR 76 - HD2 LYS 36 far 0 64 0 - 8.1-11.9 HA TYR 76 - HD3 LYS 19 far 0 62 0 - 8.7-32.5 HA2 GLY 75 - HD3 LYS 26 far 0 88 0 - 8.9-28.7 HA TYR 76 - HD2 LYS 19 far 0 62 0 - 9.5-32.0 HA2 GLY 75 - HD2 LYS 26 far 0 89 0 - 9.8-29.0 Violated in 3 structures by 0.01 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 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.6 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 100 15 - 2.6-13.4 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.8-12.9 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 ARG 23 - HD2 LYS 26 far 5 99 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 24 far 5 99 5 - 4.6-9.3 HB2 LYS 31 - HD2 LYS 26 lone 2 100 25 8 2.4-13.9 809/6347=4, 6331/6335=2 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 5.4-10.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 0 98 0 - 5.5-13.8 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 89 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 86 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 89 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 91 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 91 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 86 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 91 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 91 0 - 8.3-21.2 HB2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.6-16.5 HB2 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 90 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 91 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 548 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.23 A): 10 out of 63 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 2.3-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.5 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.9-3.9 3.9=100 HB ILE 32 - HD2 LYS 26 poor 20 100 20 - 4.4-15.8 HB ILE 32 - HD2 LYS 31 poor 20 100 20 - 4.9-9.0 HB ILE 32 - HD3 LYS 31 far 15 100 15 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 14 91 15 - 4.6-8.0 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB ILE 32 - HD3 LYS 26 far 10 100 10 - 4.8-14.9 HB3 ARG 23 - HD2 LYS 26 far 10 98 10 - 4.3-13.4 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-15.2 HB3 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-14.8 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.3-19.1 HB3 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 5 98 5 - 4.9-13.2 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 98 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 91 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 89 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 89 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 98 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 98 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 85 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 91 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 85 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 89 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 92 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 88 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 90 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 60 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 91 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 89 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.5-17.0 HB2 CYS 79 - HD2 LYS 36 far 0 60 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 88 0 - 9.8-24.4 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 87 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 78 78 100 100 2.4-3.0 3.0=100 QB ALA 15 - HD2 LYS 19 poor 18 89 20 - 2.2-10.6 QB ALA 29 - HD2 LYS 26 far 15 100 15 - 4.1-12.5 QB ALA 28 - HD2 LYS 26 far 15 100 15 - 4.6-9.5 QB ALA 16 - HD2 LYS 19 poor 14 57 25 - 2.3-9.2 QB ALA 15 - HD3 LYS 19 far 13 89 15 - 3.1-10.4 HG3 LYS 31 - HD3 LYS 26 far 10 96 10 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 100 5 - 3.7-21.3 QB ALA 29 - HD3 LYS 26 far 5 100 5 - 4.6-11.8 HG3 LYS 31 - HD2 LYS 26 far 5 97 5 - 4.8-16.4 QB ALA 28 - HD2 LYS 19 far 4 89 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 89 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 31 far 4 71 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 4 71 5 - 4.1-20.4 QB ALA 16 - HD3 LYS 19 lone 1 57 35 3 2.4-9.7 HG2 LYS 24 - HD2 LYS 26 far 0 100 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 100 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 92 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 92 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 68 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 68 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 92 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 92 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 83 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 97 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 89 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 100 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 90 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 92 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 83 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 83 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 86 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 89 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 92 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 82 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 96 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 100 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 60 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 70 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 71 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 83 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 92 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 71 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 91 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 83 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 60 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 71 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 92 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 86 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 100 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 3.52 A): 10 out of 59 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-2.9 2.9=100 HG3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.4-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 69 69 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 69 69 100 100 2.3-2.9 3.0=100 HG13 ILE 32 - HD2 LYS 26 poor 20 99 20 - 3.0-13.6 HG13 ILE 32 - HD2 LYS 31 poor 20 99 20 - 3.7-8.9 HG13 ILE 32 - HD3 LYS 31 far 15 99 15 - 3.4-9.5 HG13 ILE 32 - HD3 LYS 26 far 15 99 15 - 3.5-12.7 QB ALA 34 - HD2 LYS 26 far 7 65 10 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 far 7 65 10 - 2.0-17.7 HG3 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-12.6 HG2 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.4-16.1 HG2 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-15.2 QB ALA 34 - HD3 LYS 36 far 0 55 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 53 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 65 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 53 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 55 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 95 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 81 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 89 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 65 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 94 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 80 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 83 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 89 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 91 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 89 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 81 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 95 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 83 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 94 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 87 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 87 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 81 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 90 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 9.9-15.8 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 89 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 100 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 84 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 98 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 84 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 100 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 84 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 84 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 96 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 96 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 84 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 96 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 98 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 96 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 96 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 98 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 96 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 98 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 88 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 90 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 84 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 83 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 83 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 96 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 96 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 88 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 82 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 88 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 90 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 73 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 91 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 82 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 73 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 554 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.78 A): 20 out of 89 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 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 2.2-3.0 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 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 + HD3 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 99 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 90 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 90 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 99 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 90 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 90 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 99 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 99 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 99 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 90 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 99 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 99 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 88 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 90 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 88 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 73 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 73 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 91 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 90 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 88 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 88 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 88 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 60 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 91 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 60 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 90 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 88 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 555 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.65 A): 2 out of 7 assignments used, quality = 0.98: * H THR 25 + HD3 LYS 24 OK 95 100 95 100 2.4-5.7 6234/3.0=85, 6233/3.5=80...(12) H THR 25 + HD2 LYS 24 OK 55 100 55 100 3.8-6.4 6234/3.0=85, 6233/3.5=80...(16) H THR 25 - HD2 LYS 26 poor 19 100 20 95 4.5-9.2 ~11150=41, ~9587=25...(45) H THR 25 - HD3 LYS 26 far 10 100 10 - 4.7-8.9 H THR 25 - HD2 LYS 31 far 0 100 0 - 7.7-18.9 H THR 25 - HD3 LYS 31 far 0 100 0 - 7.8-18.8 H THR 25 - HD2 LYS 19 far 0 90 0 - 9.5-16.7 Violated in 7 structures by 0.04 A. Peak 558 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 5.29 A): 10 out of 49 assignments used, quality = 1.00: * HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 96 96 100 100 1.9-5.1 ~11877=71, ~11243=70...(20) HB2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.0-4.4 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 93 93 100 100 1.9-4.8 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 86 86 100 100 2.0-4.7 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.0-5.1 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 86 86 100 100 3.1-5.4 4.8=100 HG3 ARG 90 + HE3 LYS 86 OK 68 90 80 95 2.9-9.3 9651/9655=77...(5) HB2 ARG 23 - HE2 LYS 24 far 15 99 15 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 far 14 96 15 - 4.4-10.1 HB2 ARG 23 - HE2 LYS 31 far 9 91 10 - 5.5-19.9 HB2 LYS 24 - HE3 LYS 26 far 9 87 10 - 3.2-10.9 HB2 LYS 24 - HE2 LYS 26 far 9 87 10 - 3.9-12.6 HB2 LYS 31 - HE3 LYS 26 far 9 86 10 - 3.2-14.2 HB2 LYS 31 - HE2 LYS 26 far 9 86 10 - 4.5-15.1 HB2 ARG 23 - HE2 LYS 26 far 8 83 10 - 4.6-13.6 HB2 LYS 19 - HE2 LYS 24 far 5 100 5 - 5.7-16.4 HB2 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.6-19.1 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.1 HB2 LYS 24 - HE2 LYS 31 far 5 94 5 - 5.0-20.1 HB2 LYS 31 - HE3 LYS 19 far 5 93 5 - 5.1-19.0 HB2 ARG 23 - HE3 LYS 19 far 5 91 5 - 5.8-12.3 HB2 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 4 86 5 - 5.1-22.2 HB2 ARG 23 - HE3 LYS 26 far 4 83 5 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 31 far 4 83 5 - 5.6-20.3 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.2-16.4 HB2 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 94 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 86 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 86 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 91 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 96 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 78 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 559 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 6.06 A): 15 out of 71 assignments used, quality = 1.00: * HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.4 4.9=100 HB3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.4-5.3 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-5.5 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 86 86 100 100 3.5-5.4 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 83 83 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 37 86 45 96 5.1-9.8 10825=38, 10825/1.8=27...(41) HB ILE 32 + HE2 LYS 31 OK 36 93 40 96 5.0-10.0 10825/1.8=36, 10825=29...(35) HB ILE 32 + HE2 LYS 26 OK 34 86 40 100 4.9-16.7 10833/3.0=92, ~10767=58...(30) HB ILE 32 + HE3 LYS 26 OK 21 86 25 100 4.6-16.1 10833/3.0=92, ~10767=58...(30) HB3 ARG 23 - HE3 LYS 24 poor 19 95 20 - 4.8-9.8 HB ILE 32 - HE2 LYS 36 far 15 100 15 - 4.4-10.1 HB3 ARG 23 - HE2 LYS 24 far 15 98 15 - 4.3-10.0 HB3 LYS 19 - HE2 LYS 31 far 14 94 15 - 6.1-19.6 HB3 LYS 26 - HE2 LYS 31 far 14 93 15 - 5.9-13.4 HB3 LYS 24 - HE2 LYS 26 far 13 87 15 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 13 87 15 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 31 far 9 90 10 - 4.6-20.4 HB3 LYS 24 - HE3 LYS 26 far 9 87 10 - 2.2-9.7 HB2 LYS 36 - HE3 LYS 31 far 9 86 10 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 9 86 10 - 6.8-13.2 HB3 ARG 23 - HE2 LYS 26 far 8 83 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 8 83 10 - 4.7-12.6 HB3 ARG 23 - HE3 LYS 31 far 8 83 10 - 5.9-19.8 HB3 LYS 19 - HE2 LYS 24 far 5 100 5 - 6.3-15.6 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 LYS 19 - HE3 LYS 24 far 5 98 5 - 5.9-15.4 HB ILE 32 - HE3 LYS 36 far 5 98 5 - 6.1-10.4 HB3 LYS 24 - HE2 LYS 31 far 5 94 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 19 far 5 94 5 - 4.4-20.0 HB3 ARG 23 - HE3 LYS 19 far 4 90 5 - 5.9-13.1 HB3 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.6-21.1 HB3 LYS 31 - HE3 LYS 26 far 4 87 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 4 87 5 - 6.0-15.4 HB3 LYS 19 - HE2 LYS 26 far 4 87 5 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 26 far 4 86 5 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 4 86 5 - 6.2-21.1 HB3 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 94 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 69 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 93 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 100 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 95 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 87 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 99 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 98 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 94 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 67 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 99 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 70 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 93 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 70 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 560 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 5.27 A): 10 out of 79 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 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 2.2-4.0 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.7-4.1 3.8=100 HG3 LYS 31 + HE2 LYS 31 OK 88 88 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.0-4.1 3.6=100 HG2 LYS 19 + HE3 LYS 19 OK 82 82 100 100 2.2-4.2 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 80 80 100 100 2.0-4.2 3.7=100 QB ALA 15 - HE3 LYS 19 poor 19 94 20 - 3.2-11.4 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.1-11.2 QB ALA 29 - HE2 LYS 26 far 13 87 15 - 4.4-12.8 QB ALA 28 - HE3 LYS 26 far 13 86 15 - 5.3-9.8 QB ALA 29 - HE3 LYS 26 far 9 87 10 - 5.3-12.0 QB ALA 28 - HE2 LYS 26 far 9 86 10 - 5.7-10.5 QB ALA 12 - HE2 LYS 19 far 8 82 10 - 4.0-16.7 QB ALA 12 - HE3 LYS 19 far 7 73 10 - 3.8-17.0 QB ALA 28 - HE2 LYS 19 far 5 99 5 - 2.2-17.8 HG3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.9-12.5 HB2 LEU 42 - HE2 LYS 36 far 5 100 5 - 6.1-12.1 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.3-13.1 HB2 LEU 42 - HE3 LYS 36 far 5 98 5 - 5.9-12.4 HG2 LYS 24 - HE2 LYS 31 far 5 94 5 - 4.0-21.2 QB ALA 29 - HE2 LYS 31 far 5 94 5 - 4.7-10.3 HG3 LYS 26 - HE2 LYS 31 far 5 94 5 - 5.7-14.7 QB ALA 15 - HE2 LYS 31 far 5 94 5 - 4.7-19.7 QB ALA 28 - HE3 LYS 19 far 5 93 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 31 far 5 93 5 - 4.8-10.9 HG2 LYS 24 - HE3 LYS 31 far 4 87 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 4 87 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 4 87 5 - 4.8-12.5 QB ALA 29 - HE3 LYS 31 far 4 87 5 - 5.3-10.3 QB ALA 15 - HE3 LYS 31 far 4 86 5 - 5.3-20.9 QB ALA 28 - HE3 LYS 31 far 4 86 5 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 26 far 4 80 5 - 5.2-15.5 QB ALA 16 - HE2 LYS 31 far 3 62 5 - 4.9-20.9 QB ALA 16 - HE3 LYS 31 far 3 55 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 19 lone 2 70 50 6 3.3-11.4 213/7.3=1 QB ALA 16 - HE3 LYS 19 lone 2 62 40 6 4.2-11.0 213/7.3=1 HG3 LYS 31 - HE3 LYS 19 far 0 88 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 80 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 97 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 98 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 100 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 75 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 75 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 100 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 92 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 87 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 66 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 96 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 71 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 93 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 87 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 88 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 100 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 94 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 82 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 67 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 75 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 66 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 73 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 87 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 93 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 66 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 6.65 A): 16 out of 63 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 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 HG3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.5-3.9 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 2.3-4.2 3.6=100 HG3 LYS 36 + HE3 LYS 36 OK 76 76 100 100 2.1-4.0 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-3.1 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 68 92 75 99 2.7-10.2 10757/6.5=55, ~10825=29...(43) HG3 LYS 86 + HE3 LYS 86 OK 58 58 100 100 3.5-3.8 3.7=100 HG13 ILE 32 + HE3 LYS 31 OK 46 84 55 99 3.5-9.5 10757/6.5=55...(45) HG13 ILE 32 + HE2 LYS 26 OK 38 84 45 100 3.8-14.7 ~10767=81, ~10833=70...(34) HG13 ILE 32 + HE3 LYS 26 OK 34 84 40 100 3.9-14.0 ~10767=81, ~10833=70...(47) QB ALA 34 - HE2 LYS 36 poor 18 65 75 37 5.8-7.9 10878/7.3=14...(6) HG2 LYS 26 - HE2 LYS 31 poor 17 85 20 - 6.5-14.2 QB ALA 34 - HE3 LYS 31 poor 15 50 30 - 5.8-13.4 QB ALA 34 - HE2 LYS 31 poor 14 57 25 - 5.5-13.1 HG2 LYS 31 - HE3 LYS 26 far 13 86 15 - 4.3-16.8 HG2 LYS 31 - HE2 LYS 26 far 13 86 15 - 6.0-16.7 QB ALA 34 - HE3 LYS 36 poor 10 61 45 37 6.2-8.1 10878/7.3=14...(6) HG13 ILE 32 - HE2 LYS 36 far 10 99 10 - 5.8-11.9 HG3 LYS 24 - HE2 LYS 26 far 9 87 10 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 9 87 10 - 4.4-11.8 HG3 LYS 19 - HE3 LYS 31 far 9 87 10 - 6.7-20.3 QB ALA 34 - HE2 LYS 19 far 6 64 10 - 4.0-22.5 QB ALA 34 - HE3 LYS 24 far 6 61 10 - 5.8-27.7 QB ALA 34 - HE3 LYS 19 far 6 57 10 - 3.4-21.5 HG2 LYS 31 - HE2 LYS 24 far 5 100 5 - 7.0-23.0 HG13 ILE 32 - HE2 LYS 19 far 5 98 5 - 7.3-22.7 HG2 LYS 31 - HE3 LYS 24 far 5 98 5 - 7.4-23.3 HG13 ILE 32 - HE3 LYS 36 far 5 96 5 - 7.3-12.5 HG2 LYS 26 - HE2 LYS 24 far 5 95 5 - 7.1-13.9 HG3 LYS 24 - HE2 LYS 31 far 5 94 5 - 5.6-22.4 HG3 LYS 19 - HE2 LYS 31 far 5 94 5 - 7.1-19.3 HG2 LYS 31 - HE3 LYS 19 far 5 93 5 - 7.0-20.9 HG13 ILE 32 - HE3 LYS 19 far 5 92 5 - 7.1-21.0 HG2 LYS 26 - HE3 LYS 24 far 5 91 5 - 5.7-14.5 HG3 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.9-22.5 HG3 LYS 19 - HE2 LYS 26 far 4 87 5 - 6.4-20.1 QB ALA 34 - HE2 LYS 26 lone 4 50 45 18 3.0-18.9 908/10766=13, 6364/865=3 HG2 LYS 26 - HE3 LYS 31 far 4 78 5 - 7.4-14.5 HG3 LYS 36 - HE2 LYS 31 far 4 71 5 - 7.2-12.8 QB ALA 34 - HE2 LYS 24 far 3 65 5 - 4.5-27.4 HG3 LYS 36 - HE3 LYS 26 far 3 64 5 - 5.6-23.2 HG3 LYS 36 - HE2 LYS 26 far 3 64 5 - 6.2-22.9 HG3 LYS 36 - HE3 LYS 31 far 3 64 5 - 7.1-13.5 QB ALA 34 - HE3 LYS 26 lone 3 50 45 13 2.6-18.8 908/10766=8, 6364/865=2 HG2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 96 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 99 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 87 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 98 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 91 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 89 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.8-20.6 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 94 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 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + 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 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.4-3.0 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 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.3-3.0 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 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 24 far 5 100 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD3 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 4 87 5 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 83 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 94 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 83 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 83 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 83 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 83 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 90 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 86 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 71 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 83 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 79 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 90 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 71 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 90 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 92 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 87 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 79 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 90 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 79 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 87 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 97 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 83 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 79 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 92 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 86 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 79 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: * HD3 LYS 24 + HE2 LYS 24 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 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.4-3.0 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 2.4-3.0 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 2.4-3.0 2.9=100 HD2 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 24 far 5 100 5 - 4.9-15.0 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.8-14.1 HD3 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 4 87 5 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 82 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 94 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 82 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 82 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 82 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 82 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 89 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 97 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 74 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 82 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 80 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 89 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 74 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 89 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 88 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 80 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 89 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 97 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 80 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 88 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 97 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 80 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 88 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 80 0 - 9.9-20.9 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 49 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 1.9-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 1.9-4.8 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.8-5.4 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.7 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.1 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.1-5.4 4.8=100 HB ILE 80 + HE3 LYS 86 OK 97 97 100 100 1.9-5.1 ~11877=93, ~11243=93...(20) HG3 ARG 90 + HE3 LYS 86 OK 73 91 80 100 2.9-9.3 9651/9655=96...(6) HB2 LYS 31 - HE3 LYS 26 poor 20 98 20 - 3.2-14.2 HB2 ARG 23 - HE2 LYS 24 poor 19 96 20 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 poor 16 99 30 54 4.4-10.1 4.2/2703=9, 834/4.0=8...(25) HB2 LYS 26 - HE2 LYS 31 far 15 100 15 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 15 100 15 - 6.6-21.4 HB2 LYS 19 - HE3 LYS 24 far 10 100 10 - 6.2-16.4 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 5.0-20.1 HB2 LYS 24 - HE3 LYS 31 far 10 98 10 - 5.0-19.9 HB2 ARG 23 - HE2 LYS 31 far 10 98 10 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 19 far 10 98 10 - 5.8-12.3 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 10 98 10 - 5.7-16.4 HB2 LYS 26 - HE3 LYS 31 far 10 98 10 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-13.6 HB2 ARG 23 - HE3 LYS 26 far 10 96 10 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.6-20.3 HB2 LYS 24 - HE3 LYS 26 poor 8 98 25 31 3.2-10.9 11151/9587=25 HB2 LYS 26 - HE3 LYS 24 far 5 100 5 - 6.0-13.1 HB2 LYS 31 - HE3 LYS 19 far 5 99 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.6-19.1 HB2 LYS 31 - HE2 LYS 36 far 5 99 5 - 7.6-13.8 HB2 LYS 24 - HE2 LYS 26 lone 5 98 30 17 3.9-12.6 11151/9587=12 HB2 ARG 23 - HE2 LYS 19 far 5 98 5 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 5 98 5 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 26 lone 3 98 30 9 4.5-15.1 6331/6337=2 HB2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 93 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 100 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 91 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 99 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 83 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 570 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.29 A): 14 out of 71 assignments used, quality = 1.00: * HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.2-4.6 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 3.5-5.4 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 84 84 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE2 LYS 31 OK 28 99 30 93 5.0-10.0 10825/1.8=29, 10825=25...(35) HB ILE 32 + HE3 LYS 31 OK 27 98 30 94 5.1-9.8 10825=33, 10825/1.8=22...(41) HB ILE 32 + HE2 LYS 26 OK 24 98 25 100 4.9-16.7 10833/3.0=79...(30) HB3 ARG 23 - HE3 LYS 24 far 15 98 15 - 4.8-9.8 HB ILE 32 - HE3 LYS 26 far 15 98 15 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 24 far 14 95 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 98 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 98 10 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 10 98 10 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 26 far 9 95 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 9 95 10 - 4.7-12.6 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.9-15.4 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB ILE 32 - HE3 LYS 36 far 5 100 5 - 6.1-10.4 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.1-19.6 HB ILE 32 - HE2 LYS 36 far 5 99 5 - 4.4-10.1 HB3 LYS 26 - HE2 LYS 31 far 5 99 5 - 5.9-13.4 HB3 LYS 31 - HE3 LYS 26 far 5 98 5 - 4.8-15.1 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 LYS 31 - HE2 LYS 26 far 5 98 5 - 6.0-15.4 HB2 LYS 36 - HE3 LYS 26 far 5 98 5 - 6.2-21.3 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.9-13.1 HB3 ARG 23 - HE3 LYS 31 far 5 95 5 - 5.9-19.8 HB2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 98 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 98 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 70 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 99 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 93 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 98 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 97 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 99 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 97 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 100 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 71 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 69 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 70 0 - 10.0-34.6 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 79 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 2.2-4.0 4.0=99, 3.0/1064=29...(23) HG2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.0-4.2 4.0=99, 3.0/1064=23...(23) HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.1-3.9 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.7-4.1 3.8=100 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.1-11.2 QB ALA 16 - HE2 LYS 19 poor 14 70 20 - 3.3-11.4 QB ALA 15 - HE3 LYS 19 far 10 100 10 - 3.2-11.4 QB ALA 12 - HE2 LYS 19 far 8 82 10 - 4.0-16.7 QB ALA 16 - HE3 LYS 19 far 7 70 10 - 4.2-11.0 HG3 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.3-13.1 QB ALA 28 - HE2 LYS 19 far 5 99 5 - 2.2-17.8 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 QB ALA 28 - HE3 LYS 19 far 5 99 5 - 3.2-17.3 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 31 far 5 99 5 - 4.8-10.9 HG2 LYS 24 - HE3 LYS 31 far 5 98 5 - 4.3-21.5 QB ALA 29 - HE2 LYS 26 far 5 98 5 - 4.4-12.8 HG2 LYS 24 - HE3 LYS 26 far 5 98 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.8-12.5 QB ALA 12 - HE3 LYS 19 far 4 82 5 - 3.8-17.0 QB ALA 16 - HE3 LYS 31 far 3 67 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 0 70 0 - 4.9-20.9 HG3 LYS 31 - HE3 LYS 26 far 0 93 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 98 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 98 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 98 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 100 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 96 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 99 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 93 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 93 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 88 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 100 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 88 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 98 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 78 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 96 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 67 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 100 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 97 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 92 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 98 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 100 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 91 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 71 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 88 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 78 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 82 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 95 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 83 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 78 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 572 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 4.53 A): 14 out of 63 assignments used, quality = 1.00: * HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.1-4.0 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 2.3-4.2 3.6=100 HG3 LYS 36 + HE3 LYS 36 OK 81 81 100 100 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.5-3.9 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.4-3.1 3.7=100 HG3 LYS 86 + HE3 LYS 86 OK 60 60 100 100 3.5-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 30 98 35 88 2.7-10.2 10757/6.5=24...(31) HG13 ILE 32 + HE3 LYS 31 OK 25 96 30 88 3.5-9.5 10757/6.5=24...(19) QB ALA 34 - HE3 LYS 26 poor 15 61 25 - 2.6-18.8 HG13 ILE 32 - HE2 LYS 26 far 14 96 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 14 96 15 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 98 5 - 4.4-11.8 HG2 LYS 31 - HE3 LYS 26 far 5 98 5 - 4.3-16.8 QB ALA 34 - HE2 LYS 26 lone 3 61 35 15 3.0-18.9 908/10757=13, 6364/865=1 QB ALA 34 - HE3 LYS 19 far 3 64 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 64 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 3 61 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 31 far 0 64 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 76 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 95 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 98 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 65 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 64 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 61 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 98 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 76 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 65 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 98 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 98 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 98 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 91 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 76 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 99 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 91 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 99 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 96 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 98 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 90 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 93 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.8-20.6 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 94 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 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 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 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 31 + HE3 LYS 31 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 2.4-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 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 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 95 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 95 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 95 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 95 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 92 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 92 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 92 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 99 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 99 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 97 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 87 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 92 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 96 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.9-20.9 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 94 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 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 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 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 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 2.2-3.0 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 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + 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 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 94 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 94 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 94 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 94 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 94 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 93 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 75 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 75 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 93 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 93 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 99 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 99 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 97 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 89 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 87 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 94 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-20.9 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 2 assignments used, quality = 1.00: * H THR 25 + HA THR 25 OK 100 100 100 100 2.3-2.9 3.0=100 H GLU 91 - HA SER 74 far 0 74 0 - 8.6-10.8 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 6 assignments used, quality = 1.00: * HB THR 25 + HA THR 25 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 29 - HA THR 25 far 7 65 10 - 4.0-12.6 HA ALA 34 - HA THR 25 far 0 76 0 - 7.5-22.8 HA GLU 30 - HA THR 25 far 0 73 0 - 8.4-15.5 HA ALA 34 - HA SER 74 far 0 71 0 - 9.1-12.9 HA HIS 67 - HA SER 74 far 0 86 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 581 from cnoeabs.peaks (1.19, 4.29, 61.54 ppm; 2.81 A): 1 out of 8 assignments used, quality = 0.96: * QG2 THR 25 + HA THR 25 OK 96 100 100 96 2.2-3.2 3.2=67, 6242/3.0=43...(10) HG12 ILE 32 - HA THR 25 far 4 71 5 - 3.0-14.7 QG2 VAL 77 - HA SER 74 far 0 96 0 - 4.2-6.3 QB ALA 41 - HA THR 25 far 0 89 0 - 8.2-22.4 QG2 THR 25 - HA SER 74 far 0 98 0 - 8.5-26.3 HG12 ILE 80 - HA SER 74 far 0 69 0 - 8.7-11.7 QG2 THR 18 - HA THR 25 far 0 90 0 - 8.8-15.4 QG2 THR 18 - HA SER 74 far 0 86 0 - 9.4-30.3 Violated in 10 structures by 0.19 A. Peak 582 from cnoeabs.peaks (8.37, 4.29, 61.54 ppm; 2.60 A): 1 out of 6 assignments used, quality = 0.86: * H LYS 26 + HA THR 25 OK 86 100 100 86 2.1-3.4 6246=56, 6247/3.0=33...(6) H GLN 27 - HA THR 25 far 0 87 0 - 4.0-6.8 H LYS 24 - HA THR 25 far 0 100 0 - 5.0-5.6 H ASP 35 - HA THR 25 far 0 90 0 - 6.7-22.8 H THR 65 - HA THR 25 far 0 97 0 - 8.7-36.3 H LYS 19 - HA SER 74 far 0 76 0 - 9.0-33.2 Violated in 14 structures by 0.20 A. Peak 583 from cnoeabs.peaks (8.10, 4.20, 69.83 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * H THR 25 + HB THR 25 OK 100 100 100 100 2.7-3.9 6241=100, 6242/2.1=68...(8) Violated in 14 structures by 0.26 A. Peak 584 from cnoeabs.peaks (4.29, 4.20, 69.83 ppm; 4.35 A): 4 out of 18 assignments used, quality = 1.00: * HA THR 25 + HB THR 25 OK 100 100 100 100 2.3-2.7 3.0=100 HA THR 18 + HB THR 18 OK 88 88 100 100 2.7-3.0 3.0=100 HA LYS 26 + HB THR 25 OK 39 78 50 99 4.3-5.9 2.9/6247=84, ~6248=47...(15) HA LYS 19 + HB THR 18 OK 37 58 65 99 3.7-5.4 3.0/6146=78, ~226=37...(17) HA ALA 15 - HB THR 18 far 13 86 15 - 3.5-11.7 HA ARG 23 - HB THR 25 far 5 100 5 - 4.2-7.7 HA GLN 61 - HB THR 25 far 5 97 5 - 5.0-37.6 HA ALA 21 - HB THR 18 far 4 88 5 - 5.0-9.0 HA ALA 16 - HB THR 18 lone 1 76 45 2 4.6-8.2 2.1/10691=2 HA LEU 22 - HB THR 25 far 0 76 0 - 6.2-10.5 HA LEU 22 - HB THR 18 far 0 60 0 - 7.1-11.3 HA LYS 31 - HB THR 18 far 0 78 0 - 7.5-24.9 HA ALA 12 - HB THR 18 far 0 86 0 - 7.6-19.0 HA LYS 19 - HB THR 25 far 0 73 0 - 8.1-17.5 HA LYS 36 - HB THR 25 far 0 90 0 - 8.5-20.2 HA ARG 23 - HB THR 18 far 0 87 0 - 8.5-13.4 HA2 GLY 75 - HB THR 18 far 0 51 0 - 8.9-34.1 HA ALA 21 - HB THR 25 far 0 100 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 585 from cnoeabs.peaks (4.20, 4.20, 69.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 25 + HB THR 25 OK 100 100 - 100 HB THR 18 + HB THR 18 OK 85 85 - 100 Peak 586 from cnoeabs.peaks (1.19, 4.20, 69.83 ppm; 2.50 A): 2 out of 6 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 - 5.1-13.6 QG2 THR 18 - HB THR 25 far 0 90 0 - 8.0-16.0 QB ALA 41 - HB THR 25 far 0 89 0 - 9.4-22.5 QG2 THR 25 - HB THR 18 far 0 88 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 587 from cnoeabs.peaks (8.37, 4.20, 69.83 ppm; 3.06 A): 2 out of 8 assignments used, quality = 0.98: * H LYS 26 + HB THR 25 OK 94 100 95 99 1.8-4.6 6247=93, 582/3.0=55...(11) H LYS 19 + HB THR 18 OK 59 65 100 91 2.6-3.7 6146=51, 6144/6140=32...(16) H GLN 27 - HB THR 25 far 0 87 0 - 4.4-7.6 H LYS 24 - HB THR 25 far 0 100 0 - 4.9-6.8 H ASP 35 - HB THR 25 far 0 90 0 - 5.1-22.2 H GLY 14 - HB THR 18 far 0 87 0 - 5.9-14.5 H THR 65 - HB THR 25 far 0 97 0 - 6.6-35.9 H LYS 24 - HB THR 18 far 0 88 0 - 8.5-14.1 Violated in 9 structures by 0.02 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 1.9-3.3 6242=100, 6241/2.1=89...(10) H THR 25 - QG2 THR 18 far 0 70 0 - 6.6-13.5 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 26 assignments used, quality = 1.00: * HA THR 25 + QG2 THR 25 OK 100 100 100 100 2.2-3.2 3.2=100 HA THR 18 + QG2 THR 18 OK 70 70 100 100 2.1-3.1 3.2=100 HA LYS 19 + QG2 THR 18 OK 33 44 85 87 2.8-5.2 3.0/6147=30, ~6146=26...(14) HA LYS 26 + QG2 THR 25 OK 32 78 45 91 3.0-5.6 2.9/6248=51, ~6247=27...(16) HA ARG 23 - QG2 THR 25 far 5 100 5 - 4.0-6.9 HA GLN 61 - QG2 THR 25 far 5 97 5 - 2.6-32.1 HA ALA 21 - QG2 THR 18 far 4 70 5 - 3.7-7.8 HA ALA 15 - QG2 THR 18 far 3 68 5 - 3.2-10.4 HA LYS 31 - QG2 THR 18 far 0 60 0 - 4.4-19.8 HA LEU 22 - QG2 THR 25 far 0 76 0 - 4.8-9.6 HA ALA 16 - QG2 THR 18 far 0 59 0 - 4.8-7.8 HA LEU 22 - QG2 THR 18 far 0 46 0 - 5.4-9.2 HA ARG 23 - QG2 THR 18 far 0 69 0 - 5.5-10.5 HA ALA 12 - QG2 THR 18 far 0 68 0 - 6.2-17.2 HA LYS 19 - QG2 THR 25 far 0 73 0 - 6.2-14.4 HA LYS 36 - QG2 THR 25 far 0 90 0 - 7.2-17.8 HA LYS 26 - QG2 THR 18 far 0 48 0 - 7.4-15.1 HA LYS 31 - QG2 THR 25 far 0 93 0 - 7.5-15.1 HA2 GLY 75 - QG2 THR 18 far 0 39 0 - 7.5-27.0 HA2 GLY 75 - QG2 THR 25 far 0 65 0 - 7.9-23.7 HA SER 74 - QG2 THR 25 far 0 100 0 - 8.5-26.3 HA ALA 21 - QG2 THR 25 far 0 100 0 - 8.6-11.8 HA THR 25 - QG2 THR 18 far 0 70 0 - 8.8-15.4 HA SER 74 - QG2 THR 18 far 0 70 0 - 9.4-30.3 HA ALA 12 - QG2 THR 25 far 0 99 0 - 9.5-27.5 HA THR 18 - QG2 THR 25 far 0 100 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 590 from cnoeabs.peaks (4.20, 1.19, 21.28 ppm; 2.88 A): 2 out of 12 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 - 5.7-11.0 HA GLU 30 - QG2 THR 25 far 0 73 0 - 6.1-13.1 HA ALA 34 - QG2 THR 18 far 0 46 0 - 6.9-22.0 HA ALA 34 - QG2 THR 25 far 0 76 0 - 7.3-19.8 HB THR 25 - QG2 THR 18 far 0 70 0 - 8.0-16.0 HA GLU 30 - QG2 THR 18 far 0 44 0 - 8.3-21.9 HA ALA 29 - QG2 THR 18 far 0 39 0 - 8.6-21.1 HA LEU 53 - QG2 THR 25 far 0 76 0 - 9.5-39.0 HA HIS 67 - QG2 THR 25 far 0 90 0 - 9.7-28.3 HB THR 18 - QG2 THR 25 far 0 99 0 - 9.8-16.2 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 12 assignments used, quality = 1.00: * H LYS 26 + QG2 THR 25 OK 100 100 100 100 2.2-4.0 4.3=100 H LYS 24 + QG2 THR 25 OK 98 100 100 98 4.2-5.5 6243/6242=92, 10740=66...(6) H LYS 19 + QG2 THR 18 OK 50 50 100 100 2.2-4.4 4.3=100 H GLN 27 + QG2 THR 25 OK 44 87 55 92 2.8-7.2 4.6/6248=59, 10758=58...(8) H THR 65 - QG2 THR 25 far 5 97 5 - 5.0-30.8 H ASP 35 - QG2 THR 25 far 5 90 5 - 5.3-20.1 H LYS 24 - QG2 THR 18 far 4 70 5 - 5.4-11.3 H GLY 14 - QG2 THR 18 far 3 69 5 - 5.5-13.0 H GLN 27 - QG2 THR 18 far 0 55 0 - 7.3-15.6 H ASP 35 - QG2 THR 18 far 0 58 0 - 7.6-23.0 H LYS 19 - QG2 THR 25 far 0 81 0 - 8.6-14.7 H LYS 26 - QG2 THR 18 far 0 70 0 - 8.9-16.1 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 17 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 2.3-2.8 3.0=100 H GLN 27 + HA LYS 26 OK 79 87 100 91 2.6-3.6 3.6=58, 6262/3.0=34...(9) H LYS 24 - HA LYS 19 far 0 100 0 - 4.7-12.0 H ASP 35 - HA LYS 36 far 0 69 0 - 5.0-5.1 H GLN 27 - HA LYS 31 far 0 72 0 - 5.5-12.2 H LYS 24 - HA LYS 26 far 0 100 0 - 5.9-7.5 H ASP 35 - HA LYS 19 far 0 89 0 - 6.2-24.6 H GLN 27 - HA LYS 19 far 0 85 0 - 6.6-18.0 H LYS 24 - HA LYS 31 far 0 89 0 - 6.9-19.0 H LYS 26 - HA LYS 31 far 0 89 0 - 7.5-15.4 H LYS 19 - HA LYS 31 far 0 66 0 - 8.1-21.5 H ASP 35 - HA LYS 31 far 0 76 0 - 8.1-9.3 H LYS 26 - HA LYS 19 far 0 100 0 - 8.3-17.1 H LYS 19 - HA LYS 26 far 0 81 0 - 8.7-17.0 H ASP 35 - HA LYS 26 far 0 90 0 - 9.2-19.7 H GLY 14 - HA LYS 19 far 0 99 0 - 9.8-17.1 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 2.3-3.0 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 2.5-3.0 3.0=100 HB2 LYS 31 - HA LYS 26 far 5 99 5 - 4.0-13.4 HB2 ARG 23 - HA LYS 19 far 0 99 0 - 4.8-11.1 HB2 LYS 24 - HA LYS 19 far 0 99 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 89 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 98 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 100 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 88 0 - 6.8-19.6 HB2 LYS 24 - HA LYS 31 far 0 89 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 89 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 8.4-17.8 HB2 LYS 31 - HA LYS 36 far 0 80 0 - 8.7-13.3 HB2 LYS 39 - HA LYS 36 far 0 76 0 - 8.8-11.5 HB2 LEU 43 - HA LYS 36 far 0 56 0 - 9.7-14.9 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 23 assignments used, quality = 1.00: * HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-2.6 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 2.3-2.7 3.0=100 HB2 LYS 36 + HA LYS 36 OK 82 82 100 100 2.7-3.0 3.0=100 HB3 ARG 23 - HA LYS 26 far 5 100 5 - 4.3-10.0 HB3 LYS 26 - HA LYS 31 far 0 89 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 89 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 99 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 99 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 98 0 - 5.7-18.7 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 83 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 89 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 100 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 100 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 88 0 - 7.8-20.0 HB3 LYS 19 - HA LYS 31 far 0 87 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 100 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 62 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 100 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 88 0 - 9.3-20.9 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 26 assignments used, quality = 1.00: * HG2 LYS 26 + HA LYS 26 OK 100 100 100 100 3.4-4.2 4.0=93, 6252/2.9=66...(30) HG3 LYS 19 + HA LYS 19 OK 95 95 100 100 3.8-4.2 4.2=86, 6152/3.0=45...(40) HG2 LYS 31 + HA LYS 31 OK 85 85 100 100 2.2-4.2 3.8=100 HG13 ILE 32 - HA LYS 31 poor 17 87 20 - 4.5-6.4 HG2 LYS 31 - HA LYS 19 far 5 97 5 - 3.6-20.1 QB ALA 34 - HA LYS 19 far 5 92 5 - 3.0-20.7 HG2 LYS 31 - HA LYS 26 far 0 98 0 - 5.2-13.1 QB ALA 16 - HA LYS 19 far 0 61 0 - 5.3-9.1 HG13 ILE 32 - HA LYS 26 far 0 99 0 - 5.4-12.6 HG2 LYS 26 - HA LYS 31 far 0 89 0 - 5.5-15.2 QB ALA 16 - HA LYS 31 far 0 50 0 - 5.6-21.8 HG3 LYS 24 - HA LYS 19 far 0 93 0 - 5.7-13.9 QB ALA 34 - HA LYS 36 far 0 72 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 93 0 - 6.5-18.5 HG3 LYS 24 - HA LYS 26 far 0 95 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 99 0 - 7.5-22.0 HG3 LYS 24 - HA LYS 31 far 0 80 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 97 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 83 0 - 8.0-20.6 QB ALA 16 - HA LYS 26 far 0 63 0 - 8.1-18.7 HG2 LYS 31 - HA LYS 36 far 0 78 0 - 8.1-14.6 QB ALA 16 - HA LYS 36 far 0 45 0 - 8.3-29.6 HG13 ILE 32 - HA LYS 36 far 0 81 0 - 8.4-11.2 QB ALA 34 - HA LYS 31 far 0 79 0 - 8.5-9.9 HG2 LYS 26 - HA LYS 19 far 0 100 0 - 8.6-19.4 HG3 LYS 19 - HA LYS 31 far 0 83 0 - 9.3-20.3 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 34 assignments used, quality = 1.00: * HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.5-3.8 4.0=70, 6253/2.9=57...(31) HG2 LYS 19 + HA LYS 19 OK 86 87 100 99 3.5-3.7 4.2=65, 10714/11764=38...(39) HG3 LYS 31 + HA LYS 31 OK 84 85 100 99 2.1-3.7 3.8=84, 1.8/822=29...(22) HG2 LYS 36 + HA LYS 36 OK 82 83 100 99 2.9-3.8 4.1=66, 6394/3.0=55...(29) QB ALA 28 - HA LYS 26 far 5 100 5 - 4.5-7.6 HG2 LYS 24 - HA LYS 19 far 5 100 5 - 4.2-13.3 QB ALA 28 - HA LYS 19 far 5 100 5 - 4.2-16.4 HG3 LYS 31 - HA LYS 19 far 5 97 5 - 3.8-19.8 HG3 LYS 31 - HA LYS 26 far 0 98 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 100 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 83 0 - 4.9-11.6 QB ALA 29 - HA LYS 26 far 0 100 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 75 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 62 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 89 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 89 0 - 5.8-7.6 HG3 LYS 26 - HA LYS 31 far 0 89 0 - 6.6-15.0 QB ALA 12 - HA LYS 19 far 0 77 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 89 0 - 6.9-20.8 HG2 LYS 24 - HA LYS 26 far 0 100 0 - 7.2-9.6 QB ALA 29 - HA LYS 19 far 0 100 0 - 7.3-18.3 QB ALA 15 - HA LYS 31 far 0 89 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 76 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 82 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 100 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 56 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 89 0 - 8.4-12.7 HG2 LYS 19 - HA LYS 26 far 0 89 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 83 0 - 8.8-20.2 HG2 LYS 19 - HA LYS 31 far 0 74 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 82 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 78 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 64 0 - 9.8-28.1 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 36 assignments used, quality = 1.00: * HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 3.8-5.5 5.0=79, ~6253=41...(33) HD3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.5-5.2 5.0=79, ~6253=41...(33) HD3 LYS 19 + HA LYS 19 OK 95 95 100 100 3.9-5.5 5.2=71, 3.0/627=30...(41) HD2 LYS 19 + HA LYS 19 OK 90 95 95 100 3.6-5.5 5.2=71, 10696/11871=36...(42) HD3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.8 5.2=69, ~6331=36...(34) HD2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.9 5.2=69, ~6331=36...(34) HD3 LYS 36 + HA LYS 36 OK 77 77 100 100 4.1-5.2 5.3=67, 1031/3.0=40...(30) HD2 LYS 36 + HA LYS 36 OK 77 77 100 100 4.2-5.0 5.3=67, 1031/3.0=40...(30) HD3 LYS 26 - HA LYS 31 far 13 89 15 - 5.0-16.1 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-21.0 HD2 LYS 26 - HA LYS 31 far 4 89 5 - 3.8-16.5 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 83 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 84 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 100 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 83 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 83 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 82 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 83 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 83 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 89 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 84 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 97 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 96 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 66 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 89 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 96 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 67 0 - 9.8-13.7 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 36 assignments used, quality = 1.00: * HD3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.5-5.2 5.0=79, ~6253=41...(33) HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 3.8-5.5 5.0=79, ~6253=41...(33) HD3 LYS 19 + HA LYS 19 OK 97 97 100 100 3.9-5.5 5.2=71, 3.0/627=30...(41) HD2 LYS 19 + HA LYS 19 OK 92 97 95 100 3.6-5.5 5.2=71, 10696/11871=38...(42) HD3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.8 5.2=69, ~6331=36...(34) HD2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.9 5.2=69, ~6331=36...(34) HD3 LYS 36 + HA LYS 36 OK 75 75 100 100 4.1-5.2 5.3=67, ~6394=39...(30) HD2 LYS 36 + HA LYS 36 OK 75 75 100 100 4.2-5.0 5.3=67, ~6394=39...(30) HD3 LYS 26 - HA LYS 31 far 13 89 15 - 5.0-16.1 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 99 5 - 3.8-21.0 HD2 LYS 26 - HA LYS 31 far 4 89 5 - 3.8-16.5 HD2 LYS 24 - HA LYS 19 far 0 99 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 85 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 82 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 100 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 82 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 85 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 83 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 82 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 82 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 89 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 82 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 98 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 94 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 62 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 98 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 89 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 94 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 71 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 603 from cnoeabs.peaks (8.39, 4.27, 56.60 ppm; 2.94 A): 2 out of 16 assignments used, quality = 0.99: * H GLN 27 + HA LYS 26 OK 93 100 100 93 2.6-3.6 6261=56, 6262/3.0=41...(10) H LYS 26 + HA LYS 26 OK 87 87 100 100 2.7-2.9 2.9=100 H LYS 24 - HA LYS 19 far 0 84 0 - 4.7-12.0 H ASP 35 - HA LYS 36 far 0 82 0 - 5.0-5.1 H GLN 27 - HA LYS 31 far 0 89 0 - 5.5-12.2 H LYS 24 - HA LYS 26 far 0 85 0 - 5.9-7.5 H ASP 35 - HA LYS 19 far 0 100 0 - 6.2-24.6 H GLN 27 - HA LYS 19 far 0 100 0 - 6.6-18.0 H LYS 24 - HA LYS 31 far 0 70 0 - 6.9-19.0 H LYS 26 - HA LYS 31 far 0 72 0 - 7.5-15.4 H ASP 35 - HA LYS 31 far 0 89 0 - 8.1-9.3 H LYS 26 - HA LYS 19 far 0 85 0 - 8.3-17.1 H MET 11 - HA LYS 19 far 0 69 0 - 9.1-24.3 H ASP 35 - HA LYS 26 far 0 100 0 - 9.2-19.7 H GLY 14 - HA LYS 19 far 0 77 0 - 9.8-17.1 H MET 11 - HA LYS 26 far 0 71 0 - 10.0-32.5 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 22 assignments used, quality = 1.00: * H LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.3 6250=100, 6251/1.8=83...(33) H LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.5 6220=100, 6219/491=70...(23) H GLN 27 + HB2 LYS 26 OK 86 87 100 99 1.9-3.8 6262=80, 6263/1.8=61...(12) H LYS 19 + HB2 LYS 19 OK 79 80 100 99 2.7-3.1 6149=72, 6159/6161=35...(36) H GLN 27 - HB2 LYS 31 far 12 80 15 - 2.6-10.7 H LYS 26 - HB2 LYS 24 far 10 100 10 - 2.9-8.0 H GLN 27 - HB2 LYS 24 far 0 86 0 - 5.1-11.1 H LYS 26 - HB2 LYS 31 far 0 96 0 - 5.2-12.7 H LYS 24 - HB2 LYS 26 far 0 100 0 - 5.4-9.4 H LYS 24 - HB2 LYS 31 far 0 96 0 - 5.6-16.9 H GLN 27 - HB2 LYS 19 far 0 86 0 - 6.4-18.1 H ASP 35 - HB2 LYS 19 far 0 90 0 - 6.6-23.9 H LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-13.0 H ASP 35 - HB2 LYS 26 far 0 90 0 - 7.1-19.0 H LYS 19 - HB2 LYS 31 far 0 73 0 - 7.8-18.7 H LYS 19 - HB2 LYS 24 far 0 80 0 - 7.8-14.8 H GLY 14 - HB2 LYS 19 far 0 99 0 - 8.2-16.0 H ASP 35 - HB2 LYS 24 far 0 89 0 - 8.3-26.3 H THR 65 - HB2 LYS 26 far 0 97 0 - 8.3-34.2 H ASP 35 - HB2 LYS 31 far 0 83 0 - 9.2-10.4 H LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-18.0 H THR 65 - HB2 LYS 24 far 0 97 0 - 9.6-36.5 Violated in 0 structures by 0.00 A. Peak 605 from cnoeabs.peaks (4.27, 1.75, 32.72 ppm; 3.28 A): 4 out of 45 assignments used, quality = 1.00: * HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.5-3.0 3.0=100 HA THR 25 + HB2 LYS 24 OK 22 77 30 95 4.0-5.6 3.0/6232=48, ~6233=29...(18) HA LEU 22 - HB2 LYS 24 far 10 100 10 - 4.2-8.1 HA GLN 27 - HB2 LYS 26 far 7 71 10 - 3.9-5.9 HA LYS 26 - HB2 LYS 31 far 5 96 5 - 4.0-13.4 HA GLN 27 - HB2 LYS 31 far 3 64 5 - 4.2-11.7 HA THR 25 - HB2 LYS 26 far 0 78 0 - 4.5-6.1 HA ARG 23 - HB2 LYS 31 far 0 81 0 - 4.6-15.9 HA ARG 23 - HB2 LYS 26 far 0 89 0 - 4.7-9.7 HA ARG 23 - HB2 LYS 24 far 0 88 0 - 4.9-6.1 HA ALA 16 - HB2 LYS 19 far 0 99 0 - 5.1-9.5 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 5.2-14.4 HA THR 18 - HB2 LYS 19 far 0 75 0 - 5.3-6.2 HA LYS 31 - HB2 LYS 26 far 0 99 0 - 5.4-14.5 HA LYS 19 - HB2 LYS 31 far 0 96 0 - 5.5-17.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.5-8.7 HA GLN 27 - HB2 LYS 19 far 0 70 0 - 5.7-17.7 HA GLN 61 - HB2 LYS 24 far 0 95 0 - 5.8-38.1 HA ALA 15 - HB2 LYS 19 far 0 90 0 - 5.9-12.4 HA THR 25 - HB2 LYS 31 far 0 71 0 - 6.5-14.5 HA LEU 22 - HB2 LYS 31 far 0 96 0 - 6.5-20.9 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 6.8-16.3 HA ARG 23 - HB2 LYS 19 far 0 88 0 - 6.9-11.3 HA ALA 16 - HB2 LYS 31 far 0 94 0 - 7.1-22.6 HA ALA 21 - HB2 LYS 19 far 0 80 0 - 7.4-8.7 HA ALA 12 - HB2 LYS 19 far 0 90 0 - 7.5-21.5 HA LYS 31 - HB2 LYS 24 far 0 98 0 - 7.7-19.5 HA GLN 27 - HB2 LYS 24 far 0 70 0 - 7.9-11.1 HA LYS 31 - HB2 LYS 19 far 0 98 0 - 8.0-20.2 HA THR 18 - HB2 LYS 31 far 0 69 0 - 8.0-21.4 HA THR 18 - HB2 LYS 24 far 0 75 0 - 8.2-14.2 HA ALA 21 - HB2 LYS 24 far 0 80 0 - 8.2-10.8 HA SER 74 - HB2 LYS 19 far 0 77 0 - 8.2-31.6 HA GLN 61 - HB2 LYS 26 far 0 96 0 - 8.3-37.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 8.4-17.8 HA ALA 15 - HB2 LYS 31 far 0 83 0 - 8.5-24.7 HA LYS 36 - HB2 LYS 31 far 0 94 0 - 8.7-13.3 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 8.7-14.1 HA LYS 36 - HB2 LYS 39 far 0 62 0 - 8.8-11.5 HA ALA 21 - HB2 LYS 31 far 0 73 0 - 9.1-21.0 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 9.3-11.5 HA ALA 21 - HB2 LYS 26 far 0 81 0 - 9.7-15.5 HA THR 25 - HB2 LYS 19 far 0 77 0 - 9.8-17.2 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 99 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 100 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 96 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 95 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 46 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 98 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 99 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 98 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 99 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 99 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 94 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 96 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 95 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.0-24.5 Violated in 0 structures by 0.00 A. Peak 608 from cnoeabs.peaks (1.43, 1.75, 32.72 ppm; 3.53 A): 5 out of 29 assignments used, quality = 1.00: * HG2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.7-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 26 94 35 79 3.8-6.2 6355/809=42...(11) HG13 ILE 32 - HB2 LYS 26 far 10 99 10 - 4.2-12.5 HG2 LYS 31 - HB2 LYS 26 far 10 98 10 - 3.3-13.1 HG2 LYS 26 - HB2 LYS 31 far 5 96 5 - 4.2-12.5 QB ALA 34 - HB2 LYS 19 far 5 92 5 - 2.9-20.2 QB ALA 16 - HB2 LYS 19 far 3 62 5 - 4.4-8.5 QB ALA 16 - HB2 LYS 31 far 3 56 5 - 3.9-19.7 QB ALA 34 - HB2 LYS 26 far 0 93 0 - 5.0-17.9 HG2 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 95 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 97 0 - 5.8-19.4 QB ALA 34 - HB2 LYS 24 far 0 92 0 - 6.3-23.8 HG13 ILE 32 - HB2 LYS 19 far 0 99 0 - 7.1-21.1 HG2 LYS 31 - HB2 LYS 24 far 0 97 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 94 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 88 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 97 0 - 7.7-18.0 QB ALA 34 - HB2 LYS 31 far 0 86 0 - 8.5-10.8 HG3 LYS 19 - HB2 LYS 31 far 0 90 0 - 8.6-17.4 QB ALA 34 - HB2 LYS 39 far 0 54 0 - 8.7-13.1 HG3 LYS 19 - HB2 LYS 24 far 0 96 0 - 8.9-14.4 QB ALA 16 - HB2 LYS 24 far 0 62 0 - 9.2-17.0 HG2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-19.5 QB ALA 16 - HB2 LYS 26 far 0 63 0 - 9.9-20.6 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 40 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 2.3-2.9 2.9=100 HG3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 88 88 100 100 2.4-2.9 3.0=100 QB ALA 28 - HB2 LYS 19 far 5 100 5 - 3.2-16.4 QB ALA 15 - HB2 LYS 19 far 5 100 5 - 3.6-11.3 HG3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.5-10.3 QB ALA 28 - HB2 LYS 24 far 5 100 5 - 3.9-12.5 HG3 LYS 31 - HB2 LYS 26 far 5 98 5 - 4.2-14.0 QB ALA 28 - HB2 LYS 31 far 5 96 5 - 4.2-8.2 QB ALA 16 - HB2 LYS 31 far 3 69 5 - 3.9-19.7 QB ALA 16 - HB2 LYS 19 far 0 75 0 - 4.4-8.5 HB2 LEU 42 - HB2 LYS 39 far 0 63 0 - 4.9-6.2 QB ALA 12 - HB2 LYS 19 far 0 77 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 96 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 100 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 97 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 96 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 6.0-10.8 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 6.3-10.0 QB ALA 29 - HB2 LYS 31 far 0 96 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 100 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 97 0 - 6.9-19.1 HG2 LYS 19 - HB2 LYS 26 far 0 89 0 - 8.3-18.2 HG2 LYS 36 - HB2 LYS 31 far 0 96 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 88 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 81 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 64 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 75 0 - 9.2-17.0 QB ALA 12 - HB2 LYS 31 far 0 71 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-18.8 QB ALA 12 - HB2 LYS 26 far 0 78 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 76 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.9-20.9 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 38 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.0 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.1-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 49 49 100 100 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 38 50 75 99 4.0-5.7 ~11901=46...(21) HD3 LYS 26 - HB2 LYS 31 far 14 96 15 - 2.6-13.4 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.8-12.9 HD2 LYS 26 - HB2 LYS 31 lone 2 96 25 8 2.4-13.9 6347/6343=4, 6335/6331=2 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.6-14.8 HD2 LYS 19 - HB2 LYS 31 far 0 90 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 90 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 91 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 97 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 97 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 97 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 97 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 96 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 91 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 97 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 96 0 - 9.1-20.0 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 38 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.3-3.6 3.9=100 HD3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.0 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 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 40 53 75 99 4.0-5.7 ~11901=46...(21) HD3 LYS 26 - HB2 LYS 31 far 14 96 15 - 2.6-13.4 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.8-12.9 HD2 LYS 26 - HB2 LYS 31 lone 2 96 25 8 2.4-13.9 6348/6343=4, 6335/6331=2 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.6-14.8 HD2 LYS 19 - HB2 LYS 31 far 0 92 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 92 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 89 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 96 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 95 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 96 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 95 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 97 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 89 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 98 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 96 0 - 9.1-20.0 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 37 assignments used, quality = 1.00: HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 * HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.1-4.6 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 3.1-5.4 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 1.9-4.8 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.8-5.4 5.1=100 HE3 LYS 26 - HB2 LYS 31 poor 19 96 20 - 3.2-14.2 HE3 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE2 LYS 31 - HB2 LYS 19 far 15 100 15 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.1-22.2 HE3 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-19.9 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-20.1 HE3 LYS 24 - HB2 LYS 19 far 10 99 10 - 6.2-16.4 HE2 LYS 24 - HB2 LYS 19 far 9 95 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 poor 8 100 25 31 3.2-10.9 9587/11151=25 HE2 LYS 26 - HB2 LYS 24 lone 5 100 30 17 3.9-12.6 9587/11151=12 HE3 LYS 24 - HB2 LYS 26 far 5 99 5 - 6.0-13.1 HE3 LYS 19 - HB2 LYS 31 far 5 96 5 - 5.1-19.0 HE2 LYS 24 - HB2 LYS 26 far 5 96 5 - 7.5-13.7 HE2 LYS 19 - HB2 LYS 31 far 5 92 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 91 5 - 7.6-13.8 HE2 LYS 26 - HB2 LYS 31 lone 3 96 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 97 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 89 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 94 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 97 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 98 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.8-11.7 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 37 assignments used, quality = 1.00: * HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.1-4.6 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 3.1-5.4 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 1.9-4.8 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.8-5.4 5.1=100 HE3 LYS 26 - HB2 LYS 31 poor 19 96 20 - 3.2-14.2 HE3 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE2 LYS 31 - HB2 LYS 19 far 15 100 15 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.1-22.2 HE3 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-19.9 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-20.1 HE3 LYS 24 - HB2 LYS 19 far 10 99 10 - 6.2-16.4 HE2 LYS 24 - HB2 LYS 19 far 9 95 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 poor 8 100 25 31 3.2-10.9 9587/11151=25 HE2 LYS 26 - HB2 LYS 24 lone 5 100 30 17 3.9-12.6 9587/11151=12 HE3 LYS 24 - HB2 LYS 26 far 5 99 5 - 6.0-13.1 HE3 LYS 19 - HB2 LYS 31 far 5 96 5 - 5.1-19.0 HE2 LYS 24 - HB2 LYS 26 far 5 96 5 - 7.5-13.7 HE2 LYS 19 - HB2 LYS 31 far 5 92 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 91 5 - 7.6-13.8 HE2 LYS 26 - HB2 LYS 31 lone 3 96 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 97 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 89 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 94 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 97 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 98 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.8-11.7 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 23 assignments used, quality = 1.00: * H GLN 27 + HB2 LYS 26 OK 100 100 100 100 1.9-3.8 6262=100, 6263/1.8=73...(11) H LYS 26 + HB2 LYS 26 OK 87 87 100 100 2.5-3.3 6250=80, 6251/1.8=64...(32) H LYS 24 + HB2 LYS 24 OK 84 84 100 100 2.6-3.5 6220=77, 3.0/491=59...(19) H GLN 27 - HB2 LYS 31 far 14 96 15 - 2.6-10.7 H LYS 26 - HB2 LYS 24 far 9 86 10 - 2.9-8.0 H GLN 27 - HB2 LYS 24 far 0 100 0 - 5.1-11.1 H LYS 26 - HB2 LYS 31 far 0 80 0 - 5.2-12.7 H LYS 24 - HB2 LYS 26 far 0 85 0 - 5.4-9.4 H LYS 24 - HB2 LYS 31 far 0 78 0 - 5.6-16.9 H GLN 27 - HB2 LYS 19 far 0 100 0 - 6.4-18.1 H ASP 35 - HB2 LYS 19 far 0 100 0 - 6.6-23.9 H LYS 24 - HB2 LYS 19 far 0 84 0 - 6.8-13.0 H ASP 35 - HB2 LYS 26 far 0 100 0 - 7.1-19.0 H MET 11 - HB2 LYS 24 far 0 70 0 - 7.3-31.4 H SER 74 - HB2 LYS 19 far 0 84 0 - 8.0-30.5 H GLY 14 - HB2 LYS 19 far 0 77 0 - 8.2-16.0 H MET 11 - HB2 LYS 19 far 0 70 0 - 8.2-23.8 H ASP 35 - HB2 LYS 24 far 0 100 0 - 8.3-26.3 H THR 65 - HB2 LYS 26 far 0 99 0 - 8.3-34.2 H MET 11 - HB2 LYS 26 far 0 71 0 - 8.9-34.8 H ASP 35 - HB2 LYS 31 far 0 96 0 - 9.2-10.4 H LYS 26 - HB2 LYS 19 far 0 86 0 - 9.3-18.0 H THR 65 - HB2 LYS 24 far 0 98 0 - 9.6-36.5 Violated in 0 structures by 0.00 A. Peak 615 from cnoeabs.peaks (8.37, 1.82, 32.72 ppm; 3.54 A): 5 out of 22 assignments used, quality = 1.00: * H LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.6-3.7 6251=100, 6250/1.8=92...(29) H LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 6220/1.8=84, 6214=83...(19) H GLN 27 + HB3 LYS 26 OK 86 87 100 99 1.8-3.3 6263=80, 6262/1.8=64...(12) H LYS 19 + HB3 LYS 19 OK 74 74 100 100 3.5-4.0 3.9=72, 6149/1.8=63...(35) H ASP 35 + HB2 LYS 36 OK 70 84 95 88 4.1-5.3 6387/6392=53, 10884=29...(11) H LYS 26 - HB3 LYS 24 far 10 99 10 - 2.9-7.3 H GLN 27 - HB3 LYS 31 far 8 80 10 - 3.7-11.3 H LYS 24 - HB3 LYS 31 far 0 96 0 - 4.9-18.1 H GLN 27 - HB3 LYS 24 far 0 84 0 - 5.3-10.7 H ASP 35 - HB3 LYS 19 far 0 84 0 - 5.7-23.3 H LYS 24 - HB3 LYS 19 far 0 96 0 - 5.9-11.7 H GLN 27 - HB3 LYS 19 far 0 80 0 - 5.9-17.3 H LYS 24 - HB3 LYS 26 far 0 100 0 - 6.0-9.6 H LYS 26 - HB3 LYS 31 far 0 96 0 - 6.5-13.6 H ASP 35 - HB3 LYS 26 far 0 90 0 - 7.1-17.5 H LYS 19 - HB3 LYS 31 far 0 73 0 - 7.6-19.8 H LYS 19 - HB3 LYS 24 far 0 78 0 - 8.1-15.8 H LYS 26 - HB3 LYS 19 far 0 96 0 - 8.6-16.8 H GLY 14 - HB3 LYS 19 far 0 96 0 - 8.7-17.2 H ASP 35 - HB3 LYS 24 far 0 87 0 - 9.9-27.3 H ASP 35 - HB3 LYS 31 far 0 83 0 - 9.9-11.4 H LYS 26 - HB2 LYS 36 far 0 96 0 - 10.0-18.3 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 47 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-2.6 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 2.7-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 93 93 100 100 2.3-2.7 3.0=100 HA GLN 27 - HB3 LYS 26 far 11 71 15 - 3.9-4.8 HA LEU 22 - HB3 LYS 24 far 5 99 5 - 3.4-7.5 HA ARG 23 - HB3 LYS 31 far 4 81 5 - 3.9-17.1 HA THR 25 - HB3 LYS 24 far 0 75 0 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 0 86 0 - 4.4-6.5 HA ARG 23 - HB3 LYS 26 far 0 89 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 99 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 99 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 94 0 - 4.9-10.4 HA LYS 19 - HB3 LYS 24 far 0 99 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 96 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 96 0 - 5.5-22.2 HA THR 25 - HB3 LYS 26 far 0 78 0 - 5.6-6.3 HA GLN 27 - HB3 LYS 31 far 0 64 0 - 5.7-10.9 HA LYS 19 - HB3 LYS 31 far 0 96 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 82 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 69 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 5.9-14.9 HA GLN 27 - HB3 LYS 19 far 0 64 0 - 6.0-16.8 HA GLN 61 - HB3 LYS 24 far 0 93 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 94 0 - 6.8-22.8 HA ALA 21 - HB3 LYS 19 far 0 74 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 69 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 84 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 78 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 94 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 84 0 - 7.5-13.6 HA GLN 27 - HB3 LYS 24 far 0 68 0 - 7.7-11.4 HA ALA 21 - HB3 LYS 31 far 0 73 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 94 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 71 0 - 8.1-15.3 HA SER 74 - HB3 LYS 19 far 0 72 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 96 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 83 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 73 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 72 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 96 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 97 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 72 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 100 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 81 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 96 0 - 9.9-37.8 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 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 99 0 - 3.4-9.6 HB2 LYS 26 - HB3 LYS 31 far 0 96 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 95 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 95 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 100 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 98 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 99 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 96 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 94 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 94 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 97 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-24.5 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): 4 out of 32 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.2-2.8 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.2-2.5 3.0=100 HG13 ILE 32 - HB3 LYS 26 far 15 99 15 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 10 98 10 - 3.1-12.9 QB ALA 34 - HB3 LYS 19 far 4 87 5 - 2.0-20.6 QB ALA 16 - HB3 LYS 31 far 3 56 5 - 3.9-19.7 HG2 LYS 26 - HB3 LYS 24 far 0 99 0 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 94 0 - 5.0-7.3 QB ALA 16 - HB3 LYS 19 far 0 57 0 - 5.0-9.7 HG2 LYS 26 - HB3 LYS 31 far 0 96 0 - 5.2-13.4 QB ALA 34 - HB3 LYS 26 far 0 93 0 - 5.4-16.7 HG13 ILE 32 - HB3 LYS 19 far 0 95 0 - 5.4-19.7 QB ALA 34 - HB2 LYS 36 far 0 87 0 - 5.5-6.5 HG2 LYS 31 - HB3 LYS 19 far 0 93 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 95 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 88 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 93 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 88 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 95 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 96 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 94 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 91 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 90 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 98 0 - 8.3-19.3 QB ALA 16 - HB2 LYS 36 far 0 57 0 - 8.3-27.5 HG3 LYS 19 - HB3 LYS 26 far 0 97 0 - 8.6-17.8 QB ALA 34 - HB3 LYS 31 far 0 86 0 - 8.8-11.6 QB ALA 16 - HB3 LYS 26 far 0 63 0 - 9.6-20.2 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 42 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.7-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.9-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 82 82 100 100 2.7-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 24 far 10 99 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 26 far 5 100 5 - 4.3-7.7 HG3 LYS 31 - HB3 LYS 26 far 5 98 5 - 3.9-13.1 QB ALA 28 - HB3 LYS 19 far 5 96 5 - 2.9-15.3 QB ALA 16 - HB3 LYS 31 far 3 69 5 - 3.9-19.7 QB ALA 29 - HB2 LYS 36 far 0 96 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 96 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 99 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 69 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 96 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 72 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 96 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 100 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 96 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 96 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 93 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 96 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 96 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 99 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 96 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 100 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 81 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 69 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 86 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 93 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 89 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 100 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 71 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 99 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 76 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 96 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 75 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 96 0 - 9.9-14.8 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 43 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.2 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 2.3-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-3.8 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.2-3.5 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.4-4.2 3.9=97, 6.2/6150=15...(79) HD2 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.9-3.9 3.9=97, 6.2/6150=15...(77) HD2 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 5 96 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 96 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 0 90 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 90 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 96 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 96 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 97 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 92 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 92 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 91 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 97 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 94 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 97 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 94 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 97 0 - 9.8-19.8 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 43 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-4.0 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 2.3-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-3.8 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.4-4.2 3.9=97, 6.2/6150=15...(79) HD2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.9-3.9 3.9=97, 6.2/6150=15...(77) HD2 LYS 36 + HB2 LYS 36 OK 90 90 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 90 90 100 100 2.2-3.5 3.5=100 HD3 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.5-11.6 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.3-19.1 HD3 LYS 26 - HB3 LYS 31 far 5 96 5 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 31 far 5 96 5 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 0 92 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 92 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 96 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 96 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 90 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 90 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 89 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 98 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 98 0 - 9.8-19.8 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 44 assignments used, quality = 1.00: * HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.6-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.4-4.7 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.2-5.5 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.4-5.3 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.4 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.0-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.3-5.4 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.2-4.6 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 19 96 20 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 15 99 15 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 14 96 15 - 6.1-19.6 HE3 LYS 31 - HB2 LYS 36 far 10 96 10 - 6.7-12.2 HE3 LYS 26 - HB3 LYS 31 far 10 96 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 96 10 - 6.0-15.4 HE3 LYS 24 - HB3 LYS 19 far 9 95 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 9 90 10 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 26 far 5 99 5 - 7.0-14.0 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.0-21.5 HE3 LYS 26 - HB2 LYS 36 far 5 96 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 96 5 - 6.2-21.1 HE2 LYS 26 - HB3 LYS 19 far 5 96 5 - 6.7-19.5 HE3 LYS 19 - HB3 LYS 31 far 5 96 5 - 4.4-20.0 HE2 LYS 31 - HB2 LYS 36 far 5 96 5 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 5 96 5 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 5 94 5 - 7.5-21.6 HE2 LYS 19 - HB3 LYS 31 far 5 92 5 - 5.4-20.0 HE2 LYS 26 - HB3 LYS 24 lone 3 99 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 100 35 9 5.9-13.4 9008/10751=4, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 100 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 89 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 64 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 91 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 98 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 97 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 100 0 - 10.0-19.9 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 44 assignments used, quality = 1.00: HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 * HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.6-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.4-4.7 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.2-5.5 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.4-5.3 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.4 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.0-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.3-5.4 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.2-4.6 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 19 96 20 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 15 99 15 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 14 96 15 - 6.1-19.6 HE3 LYS 31 - HB2 LYS 36 far 10 96 10 - 6.7-12.2 HE3 LYS 26 - HB3 LYS 31 far 10 96 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 96 10 - 6.0-15.4 HE3 LYS 24 - HB3 LYS 19 far 9 95 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 9 90 10 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 26 far 5 99 5 - 7.0-14.0 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.0-21.5 HE3 LYS 26 - HB2 LYS 36 far 5 96 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 96 5 - 6.2-21.1 HE2 LYS 26 - HB3 LYS 19 far 5 96 5 - 6.7-19.5 HE3 LYS 19 - HB3 LYS 31 far 5 96 5 - 4.4-20.0 HE2 LYS 31 - HB2 LYS 36 far 5 96 5 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 5 96 5 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 5 94 5 - 7.5-21.6 HE2 LYS 19 - HB3 LYS 31 far 5 92 5 - 5.4-20.0 HE2 LYS 26 - HB3 LYS 24 lone 3 99 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 100 35 9 5.9-13.4 9008/10751=4, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 100 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 89 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 64 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 91 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 98 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 97 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 100 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 625 from cnoeabs.peaks (8.39, 1.82, 32.72 ppm; 3.45 A): 4 out of 22 assignments used, quality = 1.00: * H GLN 27 + HB3 LYS 26 OK 100 100 100 100 1.8-3.3 6263=100, 6262/1.8=77...(13) H LYS 26 + HB3 LYS 26 OK 87 87 100 100 3.6-3.7 6251=80, 6250/1.8=72...(29) H LYS 24 + HB3 LYS 24 OK 82 82 100 100 2.1-3.7 3.0/482=65, 6214=65...(19) H ASP 35 + HB2 LYS 36 OK 82 96 95 89 4.1-5.3 6385/6392=59, 10884=32...(9) H GLN 27 - HB3 LYS 31 far 10 96 10 - 3.7-11.3 H LYS 26 - HB3 LYS 24 far 8 84 10 - 2.9-7.3 H LYS 24 - HB3 LYS 31 far 0 78 0 - 4.9-18.1 H GLN 27 - HB3 LYS 24 far 0 99 0 - 5.3-10.7 H ASP 35 - HB3 LYS 19 far 0 96 0 - 5.7-23.3 H LYS 24 - HB3 LYS 19 far 0 78 0 - 5.9-11.7 H GLN 27 - HB3 LYS 19 far 0 96 0 - 5.9-17.3 H LYS 24 - HB3 LYS 26 far 0 85 0 - 6.0-9.6 H LYS 26 - HB3 LYS 31 far 0 80 0 - 6.5-13.6 H MET 11 - HB3 LYS 24 far 0 68 0 - 6.7-31.9 H MET 11 - HB3 LYS 19 far 0 64 0 - 6.8-25.1 H ASP 35 - HB3 LYS 26 far 0 100 0 - 7.1-17.5 H SER 74 - HB3 LYS 19 far 0 78 0 - 8.3-29.4 H LYS 26 - HB3 LYS 19 far 0 80 0 - 8.6-16.8 H GLY 14 - HB3 LYS 19 far 0 72 0 - 8.7-17.2 H ASP 35 - HB3 LYS 24 far 0 99 0 - 9.9-27.3 H ASP 35 - HB3 LYS 31 far 0 96 0 - 9.9-11.4 H LYS 26 - HB2 LYS 36 far 0 80 0 - 10.0-18.3 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 21 assignments used, quality = 1.00: * H LYS 26 + HG2 LYS 26 OK 100 100 100 100 3.2-3.8 6252=100, 6253/1.8=99...(52) H GLN 27 + HG2 LYS 26 OK 87 87 100 100 2.3-4.4 5.0=95, 6265/1.8=79...(18) H LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.6-3.7 6222/1.8=100...(31) H LYS 19 + HG3 LYS 19 OK 65 65 100 100 2.7-4.0 4.9=100 H GLN 27 - HG2 LYS 31 far 10 66 15 - 3.8-12.1 H ASP 35 - HG2 LYS 26 far 9 90 10 - 5.3-18.5 H LYS 24 - HG2 LYS 31 far 8 83 10 - 5.7-19.5 H LYS 24 - HG2 LYS 26 far 5 100 5 - 4.2-10.5 H LYS 26 - HG3 LYS 24 far 4 82 5 - 5.0-8.8 H LYS 19 - HG2 LYS 31 far 3 60 5 - 5.4-21.3 H LYS 26 - HG2 LYS 31 far 0 83 0 - 6.1-14.5 H GLY 14 - HG3 LYS 19 far 0 87 0 - 7.0-15.8 H ASP 35 - HG3 LYS 19 far 0 74 0 - 7.1-25.2 H GLN 27 - HG3 LYS 24 far 0 65 0 - 7.1-12.5 H LYS 24 - HG3 LYS 19 far 0 88 0 - 7.2-11.9 H GLN 27 - HG3 LYS 19 far 0 71 0 - 7.7-16.2 H LYS 19 - HG3 LYS 24 far 0 59 0 - 7.8-14.3 H ASP 35 - HG2 LYS 31 far 0 70 0 - 8.7-11.2 H LYS 26 - HG3 LYS 19 far 0 88 0 - 9.3-17.2 H LYS 19 - HG2 LYS 26 far 0 81 0 - 9.7-19.7 H THR 65 - HG2 LYS 26 far 0 97 0 - 10.0-36.5 Violated in 0 structures by 0.00 A. Peak 627 from cnoeabs.peaks (4.27, 1.43, 24.54 ppm; 3.74 A): 3 out of 45 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 100 100 3.4-4.2 4.0=79, 2.9/6252=60...(30) HA LYS 19 + HG3 LYS 19 OK 87 88 100 99 3.8-4.2 4.2=73, 3.0/6152=40...(40) HA LYS 31 + HG2 LYS 31 OK 80 80 100 100 2.2-4.2 3.8=94, ~6331=25...(22) HA GLN 27 - HG2 LYS 26 poor 18 71 25 - 3.9-6.9 HA LEU 22 - HG3 LYS 24 poor 16 82 35 56 3.8-7.1 409/10712=17, ~1309=12...(12) HA ALA 16 - HG3 LYS 19 far 13 85 15 - 2.8-10.1 HA ARG 23 - HG2 LYS 26 far 4 89 5 - 2.4-10.5 HA LYS 19 - HG2 LYS 31 far 4 83 5 - 3.6-20.1 HA ARG 23 - HG2 LYS 31 far 3 68 5 - 4.5-18.5 HA THR 18 - HG3 LYS 19 far 3 60 5 - 4.2-6.9 HA LEU 22 - HG2 LYS 31 far 0 83 0 - 5.0-23.5 HA ARG 23 - HG3 LYS 24 far 0 66 0 - 5.0-7.0 HA THR 25 - HG2 LYS 26 far 0 78 0 - 5.1-6.7 HA LYS 26 - HG2 LYS 31 far 0 83 0 - 5.2-13.1 HA ALA 16 - HG2 LYS 31 far 0 81 0 - 5.3-24.4 HA THR 18 - HG2 LYS 31 far 0 56 0 - 5.4-24.2 HA LYS 31 - HG2 LYS 26 far 0 99 0 - 5.5-15.2 HA LYS 19 - HG3 LYS 24 far 0 82 0 - 5.7-13.9 HA THR 25 - HG3 LYS 24 far 0 57 0 - 5.9-7.1 HA ALA 15 - HG3 LYS 19 far 0 74 0 - 6.2-12.6 HA GLN 27 - HG2 LYS 31 far 0 52 0 - 6.4-11.7 HA THR 25 - HG2 LYS 31 far 0 58 0 - 6.5-16.4 HA SER 74 - HG3 LYS 19 far 0 63 0 - 6.7-32.9 HA ALA 15 - HG2 LYS 31 far 0 70 0 - 6.7-26.2 HA ALA 12 - HG3 LYS 19 far 0 74 0 - 6.8-21.3 HA ALA 21 - HG3 LYS 19 far 0 65 0 - 6.8-8.2 HA ALA 21 - HG2 LYS 31 far 0 60 0 - 6.8-23.7 HA THR 18 - HG3 LYS 24 far 0 55 0 - 6.9-13.6 HA ARG 23 - HG3 LYS 19 far 0 73 0 - 7.0-10.2 HA GLN 61 - HG3 LYS 24 far 0 74 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 82 0 - 7.1-9.9 HA LEU 22 - HG2 LYS 26 far 0 100 0 - 7.3-15.0 HA ALA 21 - HG3 LYS 24 far 0 59 0 - 7.4-9.5 HA ALA 21 - HG2 LYS 26 far 0 81 0 - 7.6-16.6 HA LYS 31 - HG3 LYS 24 far 0 78 0 - 7.8-22.0 HA GLN 27 - HG3 LYS 19 far 0 56 0 - 7.8-18.4 HA LYS 26 - HG3 LYS 19 far 0 88 0 - 8.0-16.1 HA LYS 36 - HG2 LYS 26 far 0 99 0 - 8.0-20.6 HA LYS 36 - HG2 LYS 31 far 0 81 0 - 8.1-14.6 HA LYS 19 - HG2 LYS 26 far 0 100 0 - 8.6-19.4 HA ALA 110 - HG3 LYS 24 far 0 70 0 - 9.0-50.5 HA LEU 22 - HG3 LYS 19 far 0 88 0 - 9.1-10.3 HA LYS 31 - HG3 LYS 19 far 0 85 0 - 9.3-20.3 HA GLN 27 - HG3 LYS 24 far 0 51 0 - 9.7-13.5 HA GLN 61 - HG2 LYS 26 far 0 96 0 - 9.8-39.3 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 20 assignments used, quality = 1.00: * HB2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.7-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HB2 ARG 23 - HG2 LYS 26 far 10 100 10 - 3.3-12.5 HB2 LYS 26 - HG2 LYS 31 far 8 83 10 - 3.3-13.1 HB2 LYS 31 - HG2 LYS 26 far 5 99 5 - 4.2-12.5 HB2 ARG 23 - HG2 LYS 31 far 0 82 0 - 5.0-19.9 HB2 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.1-11.3 HB2 LYS 26 - HG3 LYS 24 far 0 82 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 87 0 - 5.6-9.7 HB2 LYS 19 - HG2 LYS 31 far 0 83 0 - 5.8-19.4 HB2 ARG 23 - HG3 LYS 24 far 0 80 0 - 6.2-8.2 HB2 LYS 24 - HG2 LYS 31 far 0 83 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 82 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 79 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.7-18.0 HB2 LYS 31 - HG3 LYS 19 far 0 85 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 87 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 100 0 - 9.3-19.5 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 25 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 85 85 100 100 2.2-2.5 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.2-2.8 2.9=100 HB ILE 32 - HG2 LYS 26 far 10 100 10 - 4.2-14.8 HB3 ARG 23 - HG2 LYS 26 far 10 100 10 - 2.9-12.1 HB3 LYS 26 - HG2 LYS 31 far 8 83 10 - 3.1-12.9 HB3 ARG 23 - HG2 LYS 31 far 4 82 5 - 4.3-19.5 HB3 LYS 24 - HG2 LYS 26 far 0 100 0 - 4.7-10.8 HB3 LYS 31 - HG2 LYS 26 far 0 99 0 - 5.2-13.4 HB3 ARG 23 - HG3 LYS 24 far 0 81 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 81 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 88 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 79 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 87 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 83 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 83 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 79 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 100 0 - 7.1-19.6 HB3 LYS 24 - HG2 LYS 31 far 0 82 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 87 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 99 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 85 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.6-17.8 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 35 assignments used, quality = 1.00: * HG3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 82 82 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 79 79 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 73 73 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 26 far 10 100 10 - 3.2-8.8 QB ALA 16 - HG2 LYS 31 far 3 56 5 - 2.7-21.2 QB ALA 16 - HG3 LYS 19 far 0 60 0 - 3.7-9.6 QB ALA 29 - HG2 LYS 26 far 0 100 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 88 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 98 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 88 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 83 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 82 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 63 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 82 0 - 5.3-14.6 HG2 LYS 24 - HG2 LYS 31 far 0 83 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 83 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 68 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 83 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 88 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 82 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.3-11.8 HG2 LYS 36 - HG2 LYS 31 far 0 83 0 - 7.6-15.4 HG3 LYS 31 - HG3 LYS 19 far 0 84 0 - 8.0-19.1 HG2 LYS 24 - HG3 LYS 19 far 0 88 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 89 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 77 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 82 0 - 8.1-44.1 HG3 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 66 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 100 0 - 9.0-22.2 QB ALA 16 - HG3 LYS 24 far 0 55 0 - 9.6-16.6 QB ALA 12 - HG3 LYS 24 far 0 57 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 82 0 - 9.9-18.6 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 33 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 2.3-2.9 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.4-3.0 3.0=100 HD2 LYS 26 - HG2 LYS 31 far 4 83 5 - 4.4-16.1 HD3 LYS 26 - HG2 LYS 31 far 4 83 5 - 3.8-15.2 HD2 LYS 26 - HG3 LYS 24 far 4 82 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 4 82 5 - 3.7-12.6 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 97 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 77 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 78 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 82 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 83 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 97 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 88 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 82 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 83 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 77 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 78 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 75 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 88 0 - 9.9-15.8 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 33 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 4 83 5 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 4 83 5 - 4.4-16.1 HD3 LYS 26 - HG3 LYS 24 far 4 82 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 4 82 5 - 3.9-13.0 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 96 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 79 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 82 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 83 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 96 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 87 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 81 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 83 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 76 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 98 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 77 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 87 0 - 9.9-15.8 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 34 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 2.3-4.2 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 2.2-4.2 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 2.0-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 74 74 100 100 2.1-4.0 4.0=100 HE3 LYS 26 - HG2 LYS 31 far 4 83 5 - 4.3-16.8 HE2 LYS 26 - HG3 LYS 24 far 4 82 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 4 82 5 - 4.4-11.8 HE2 LYS 31 - HG3 LYS 24 far 0 81 0 - 5.6-22.4 HE3 LYS 24 - HG2 LYS 26 far 0 99 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 82 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 83 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 76 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 87 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 96 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 100 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 81 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 81 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 78 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 80 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 86 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 99 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 77 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 97 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 98 0 - 9.8-20.6 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 34 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 2.3-4.2 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 2.2-4.2 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 2.0-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 74 74 100 100 2.1-4.0 4.0=100 HE3 LYS 26 - HG2 LYS 31 far 4 83 5 - 4.3-16.8 HE2 LYS 26 - HG3 LYS 24 far 4 82 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 4 82 5 - 4.4-11.8 HE2 LYS 31 - HG3 LYS 24 far 0 81 0 - 5.6-22.4 HE3 LYS 24 - HG2 LYS 26 far 0 99 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 82 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 83 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 76 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 87 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 96 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 100 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 81 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 81 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 78 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 80 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 86 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 99 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 77 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 97 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 98 0 - 9.8-20.6 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 2.3-4.4 6265/1.8=98, 6262/3.0=90...(18) H LYS 26 + HG2 LYS 26 OK 87 87 100 100 3.2-3.8 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, 3.0/484=81...(30) H GLN 27 - HG2 LYS 31 far 12 83 15 - 3.8-12.1 H ASP 35 - HG2 LYS 26 far 10 100 10 - 5.3-18.5 H LYS 24 - HG2 LYS 26 far 4 85 5 - 4.2-10.5 H LYS 26 - HG3 LYS 24 far 3 65 5 - 5.0-8.8 H LYS 24 - HG2 LYS 31 far 0 64 0 - 5.7-19.5 H LYS 26 - HG2 LYS 31 far 0 66 0 - 6.1-14.5 H MET 11 - HG3 LYS 24 far 0 51 0 - 6.4-30.1 H GLY 14 - HG3 LYS 19 far 0 63 0 - 7.0-15.8 H ASP 35 - HG3 LYS 19 far 0 88 0 - 7.1-25.2 H GLN 27 - HG3 LYS 24 far 0 82 0 - 7.1-12.5 H LYS 24 - HG3 LYS 19 far 0 69 0 - 7.2-11.9 H SER 74 - HG3 LYS 19 far 0 69 0 - 7.3-31.6 H MET 11 - HG3 LYS 19 far 0 56 0 - 7.5-24.0 H GLN 27 - HG3 LYS 19 far 0 88 0 - 7.7-16.2 H ASP 35 - HG2 LYS 31 far 0 83 0 - 8.7-11.2 H LYS 26 - HG3 LYS 19 far 0 71 0 - 9.3-17.2 H THR 65 - HG2 LYS 26 far 0 99 0 - 10.0-36.5 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 23 assignments used, quality = 1.00: * H LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.8-2.5 6253=100, 6252/1.8=94...(48) H LYS 24 + HG2 LYS 24 OK 99 99 100 100 1.8-3.5 6222=100, 6223/1.8=94...(32) H GLN 27 + HG3 LYS 26 OK 87 87 100 100 1.9-4.5 6265=80, 6262/3.0=67...(16) H LYS 19 + HG2 LYS 19 OK 48 48 100 100 1.9-3.0 4.9=76, 6149/3.0=64...(52) H GLN 27 - HG3 LYS 31 far 7 66 10 - 4.2-12.6 H LYS 24 - HG3 LYS 26 far 5 100 5 - 3.4-9.3 H LYS 26 - HG2 LYS 24 far 5 99 5 - 5.3-8.4 H ASP 35 - HG2 LYS 36 far 2 49 5 - 3.3-6.8 H LYS 19 - HG3 LYS 31 far 0 60 0 - 5.5-20.8 H LYS 24 - HG3 LYS 31 far 0 83 0 - 6.2-19.6 H ASP 35 - HG3 LYS 26 far 0 90 0 - 6.3-19.0 H LYS 19 - HG2 LYS 24 far 0 78 0 - 6.3-13.6 H LYS 26 - HG3 LYS 31 far 0 83 0 - 6.8-14.2 H LYS 24 - HG2 LYS 19 far 0 68 0 - 7.5-11.4 H GLN 27 - HG2 LYS 24 far 0 84 0 - 7.8-11.8 H ASP 35 - HG2 LYS 19 far 0 56 0 - 7.8-25.6 H GLY 14 - HG2 LYS 19 far 0 67 0 - 8.0-14.7 H ASP 35 - HG3 LYS 31 far 0 70 0 - 8.2-11.3 H GLN 27 - HG2 LYS 19 far 0 53 0 - 8.7-16.3 H ASP 35 - HG2 LYS 24 far 0 88 0 - 9.4-27.7 H LYS 26 - HG2 LYS 36 far 0 60 0 - 9.6-21.0 H THR 65 - HG3 LYS 26 far 0 97 0 - 9.7-36.3 H LYS 26 - HG2 LYS 19 far 0 68 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 638 from cnoeabs.peaks (4.27, 1.38, 24.54 ppm; 3.80 A): 7 out of 47 assignments used, quality = 1.00: * HA LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.5-3.8 4.0=83, 2.9/6253=63...(31) HA LYS 31 + HG3 LYS 31 OK 79 80 100 100 2.1-3.7 3.8=100 HA LYS 19 + HG2 LYS 19 OK 67 68 100 100 3.5-3.7 4.2=77, 11764/10714=43...(39) HA THR 25 + HG3 LYS 26 OK 61 78 80 97 3.5-5.3 11150=68, 3.6/6253=53...(17) HA LYS 36 + HG2 LYS 36 OK 58 58 100 100 2.9-3.8 4.1=78, 3.0/6394=61...(29) HA LEU 22 + HG2 LYS 24 OK 40 99 65 63 2.6-6.1 409/10703=23...(12) HA ARG 23 + HG2 LYS 24 OK 29 86 45 75 3.7-6.5 424/6222=60, 2.9/832=11...(10) HA THR 18 - HG2 LYS 19 poor 18 44 40 - 3.3-5.3 HA ALA 16 - HG2 LYS 19 poor 13 65 20 - 2.8-8.6 HA GLN 27 - HG3 LYS 26 far 11 71 15 - 4.5-6.6 HA ARG 23 - HG3 LYS 26 far 9 89 10 - 2.5-9.1 HA LYS 19 - HG2 LYS 24 far 5 99 5 - 4.2-13.3 HA LYS 26 - HG3 LYS 31 far 4 83 5 - 4.7-12.7 HA LYS 19 - HG3 LYS 31 far 4 83 5 - 3.8-19.8 HA THR 25 - HG2 LYS 24 far 4 76 5 - 4.6-6.6 HA THR 25 - HG3 LYS 31 far 0 58 0 - 5.5-16.5 HA THR 18 - HG3 LYS 31 far 0 56 0 - 5.6-23.8 HA ALA 21 - HG2 LYS 19 far 0 48 0 - 6.0-8.5 HA THR 18 - HG2 LYS 24 far 0 73 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 78 0 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 0 68 0 - 6.1-18.5 HA ALA 15 - HG2 LYS 19 far 0 56 0 - 6.3-11.0 HA LYS 31 - HG3 LYS 26 far 0 99 0 - 6.6-15.0 HA LEU 22 - HG3 LYS 31 far 0 83 0 - 6.6-23.6 HA ALA 12 - HG2 LYS 19 far 0 56 0 - 6.7-20.0 HA GLN 27 - HG3 LYS 31 far 0 52 0 - 6.9-12.2 HA LYS 31 - HG2 LYS 24 far 0 97 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 81 0 - 6.9-24.0 HA ARG 23 - HG2 LYS 19 far 0 54 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 99 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 100 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 46 0 - 7.6-32.7 HA ALA 15 - HG3 LYS 31 far 0 70 0 - 7.7-25.1 HA GLN 61 - HG2 LYS 24 far 0 93 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 60 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 100 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 68 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 57 0 - 8.4-12.7 HA GLN 27 - HG2 LYS 19 far 0 41 0 - 8.4-18.4 HA ALA 21 - HG3 LYS 26 far 0 81 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 68 0 - 8.6-16.3 HA GLN 27 - HG2 LYS 24 far 0 68 0 - 8.6-13.1 HA LYS 36 - HG3 LYS 26 far 0 99 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 96 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 65 0 - 9.1-20.6 HA LYS 36 - HG3 LYS 31 far 0 81 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 40 0 - 9.9-21.7 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 24 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 2.3-2.9 2.9=100 HB2 LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.4-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 68 68 100 100 2.4-2.9 3.0=100 HB2 ARG 23 - HG3 LYS 26 far 10 100 10 - 4.1-11.6 HB2 LYS 26 - HG3 LYS 31 far 8 83 10 - 4.2-14.0 HB2 LYS 24 - HG3 LYS 26 far 5 100 5 - 3.5-10.3 HB2 ARG 23 - HG2 LYS 24 far 0 98 0 - 4.5-7.5 HB2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 67 0 - 5.5-9.9 HB2 LYS 19 - HG3 LYS 31 far 0 83 0 - 6.0-18.8 HB2 LYS 26 - HG2 LYS 24 far 0 99 0 - 6.0-10.8 HB2 ARG 23 - HG3 LYS 31 far 0 82 0 - 6.0-20.0 HB2 LYS 31 - HG2 LYS 24 far 0 97 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 99 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 83 0 - 6.9-19.1 HB2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 58 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 67 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 65 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 54 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.4-18.8 HB2 LEU 43 - HG2 LYS 36 far 0 39 0 - 9.5-14.5 HB2 LYS 26 - HG2 LYS 36 far 0 60 0 - 9.9-20.9 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 2.7-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.7-3.0 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 2.7-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.9-3.0 3.0=100 HB3 ARG 23 - HG3 LYS 26 far 10 100 10 - 2.4-11.0 HB3 LYS 24 - HG3 LYS 26 far 10 100 10 - 3.4-9.5 HB3 LYS 26 - HG3 LYS 31 far 4 83 5 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 0 83 0 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 0 82 0 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 100 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 99 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 97 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 81 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 67 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 60 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 68 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 82 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 99 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 65 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 67 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 83 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 100 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 99 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 43 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 58 0 - 9.9-14.8 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 32 assignments used, quality = 1.00: * HG2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 79 79 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 62 62 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 10 99 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 4 81 5 - 3.1-8.2 QB ALA 16 - HG2 LYS 19 far 0 35 0 - 3.9-8.3 QB ALA 34 - HG3 LYS 26 far 0 93 0 - 4.1-17.6 QB ALA 16 - HG3 LYS 31 far 0 46 0 - 4.1-20.9 QB ALA 34 - HG2 LYS 19 far 0 58 0 - 4.4-22.3 HG2 LYS 26 - HG3 LYS 31 far 0 83 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 95 0 - 5.2-11.1 QB ALA 34 - HG2 LYS 36 far 0 51 0 - 5.8-7.4 HG2 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 64 0 - 6.4-19.9 QB ALA 34 - HG2 LYS 24 far 0 91 0 - 6.7-25.2 HG13 ILE 32 - HG2 LYS 19 far 0 66 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 99 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 58 0 - 7.4-11.7 QB ALA 34 - HG3 LYS 31 far 0 73 0 - 7.4-11.7 HG2 LYS 31 - HG2 LYS 36 far 0 56 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 77 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 94 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 74 0 - 8.1-21.8 QB ALA 16 - HG2 LYS 24 far 0 60 0 - 8.3-15.2 HG13 ILE 32 - HG2 LYS 24 far 0 98 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 97 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 60 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 60 0 - 9.0-22.2 QB ALA 16 - HG2 LYS 36 far 0 31 0 - 9.8-29.5 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 43 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HD3 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 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 62 62 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 62 62 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 83 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 83 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 68 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 99 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 100 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 68 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 83 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 94 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 97 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 77 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 78 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 83 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 97 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 68 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 94 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 47 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 46 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 68 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 78 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 644 from cnoeabs.peaks (1.66, 1.38, 24.54 ppm; 3.68 A): 10 out of 43 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 53 53 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 53 53 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 83 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 83 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 68 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 99 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 100 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 79 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 67 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 83 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 96 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 96 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 79 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 76 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 83 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 67 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 50 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 43 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 68 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 76 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 645 from cnoeabs.peaks (2.97, 1.38, 24.54 ppm; 4.48 A): 10 out of 41 assignments used, quality = 1.00: * HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.1 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 2.1-4.2 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.1-3.9 3.7=100 HE3 LYS 19 + HG2 LYS 19 OK 67 67 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.7-4.1 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 58 58 100 100 2.2-4.0 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.0-4.2 4.0=100 HE3 LYS 24 - HG3 LYS 26 far 5 99 5 - 4.3-13.1 HE3 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.8-12.5 HE2 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.0-21.2 HE3 LYS 26 - HG3 LYS 31 far 4 83 5 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 96 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 83 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 83 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 35 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 68 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 61 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 79 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 81 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 66 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 67 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 99 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 78 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 97 0 - 9.8-21.9 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: HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 * HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.1 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 2.1-4.2 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.1-3.9 3.7=100 HE3 LYS 19 + HG2 LYS 19 OK 67 67 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.7-4.1 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 58 58 100 100 2.2-4.0 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.0-4.2 4.0=100 HE3 LYS 24 - HG3 LYS 26 far 5 99 5 - 4.3-13.1 HE3 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.8-12.5 HE2 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.0-21.2 HE3 LYS 26 - HG3 LYS 31 far 4 83 5 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 96 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 83 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 83 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 35 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 68 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 61 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 79 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 81 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 66 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 67 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 99 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 78 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 97 0 - 9.8-21.9 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 25 assignments used, quality = 1.00: * H GLN 27 + HG3 LYS 26 OK 100 100 100 100 1.9-4.5 6265=100, 6262/3.0=82...(15) H LYS 26 + HG3 LYS 26 OK 87 87 100 100 1.8-2.5 6253=80, 6252/1.8=75...(46) H LYS 24 + HG2 LYS 24 OK 82 82 100 100 1.8-3.5 3.0/483=86, 6222=77...(29) H LYS 24 - HG3 LYS 26 far 4 85 5 - 3.4-9.3 H GLN 27 - HG3 LYS 31 far 4 83 5 - 4.2-12.6 H ASP 35 - HG2 LYS 36 far 3 60 5 - 3.3-6.8 H LYS 26 - HG2 LYS 24 far 0 84 0 - 5.3-8.4 H LYS 24 - HG3 LYS 31 far 0 64 0 - 6.2-19.6 H ASP 35 - HG3 LYS 26 far 0 100 0 - 6.3-19.0 H LYS 26 - HG3 LYS 31 far 0 66 0 - 6.8-14.2 H LYS 24 - HG2 LYS 19 far 0 51 0 - 7.5-11.4 H GLN 27 - HG2 LYS 24 far 0 99 0 - 7.8-11.8 H ASP 35 - HG2 LYS 19 far 0 68 0 - 7.8-25.6 H GLY 14 - HG2 LYS 19 far 0 46 0 - 8.0-14.7 H MET 11 - HG2 LYS 24 far 0 68 0 - 8.1-30.9 H ASP 35 - HG3 LYS 31 far 0 83 0 - 8.2-11.3 H SER 74 - HG2 LYS 19 far 0 51 0 - 8.3-31.2 H MET 11 - HG2 LYS 19 far 0 41 0 - 8.4-22.8 H GLN 27 - HG2 LYS 19 far 0 68 0 - 8.7-16.3 H ASP 35 - HG2 LYS 24 far 0 99 0 - 9.4-27.7 H SER 74 - HG2 LYS 36 far 0 45 0 - 9.4-12.8 H LYS 26 - HG2 LYS 36 far 0 46 0 - 9.6-21.0 H MET 11 - HG3 LYS 26 far 0 71 0 - 9.6-34.6 H THR 65 - HG3 LYS 26 far 0 99 0 - 9.7-36.3 H LYS 26 - HG2 LYS 19 far 0 53 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 648 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 11 out of 48 assignments used, quality = 1.00: * H LYS 26 + HD2 LYS 26 OK 100 100 100 100 1.8-4.9 5.7=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-5.0 5.9=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-5.5 5.9=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.6 5.7=100 H GLN 27 + HD2 LYS 26 OK 87 87 100 100 2.7-5.8 6262/3.5=80, 6263/3.5=80...(20) H GLN 27 + HD3 LYS 26 OK 86 86 100 100 3.9-5.8 6262/3.5=80, 6263/3.5=80...(20) H ASP 35 + HD2 LYS 36 OK 74 78 100 95 3.5-6.7 6387/6.1=75...(7) H ASP 35 + HD3 LYS 36 OK 74 78 100 95 3.2-6.5 6387/6.1=75...(7) H LYS 19 + HD2 LYS 19 OK 66 66 100 100 1.9-4.9 6.2=100 H LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.0-5.4 6.2=100 H LYS 26 + HD3 LYS 24 OK 24 100 35 69 5.4-9.8 4.6/544=55, 582/11832=30 H LYS 24 - HD2 LYS 26 poor 20 100 20 - 3.0-11.9 H LYS 24 - HD3 LYS 26 far 15 100 15 - 4.3-11.4 H LYS 26 - HD2 LYS 24 far 15 100 15 - 6.4-10.1 H GLY 14 - HD3 LYS 19 far 13 89 15 - 5.9-15.0 H ASP 35 - HD2 LYS 26 poor 11 90 30 42 5.5-20.4 10884/10833=22...(3) H GLY 14 - HD2 LYS 19 far 9 89 10 - 7.1-14.6 H ASP 35 - HD3 LYS 26 poor 8 90 30 29 4.7-19.3 11784/10837=24, 9416/10829=2 H LYS 24 - HD3 LYS 31 far 5 100 5 - 6.3-19.9 H LYS 24 - HD2 LYS 31 far 5 100 5 - 6.9-19.7 H THR 65 - HD2 LYS 26 far 5 97 5 - 7.1-38.2 H ASP 35 - HD3 LYS 31 far 5 90 5 - 7.4-12.3 H ASP 35 - HD3 LYS 24 far 5 90 5 - 7.5-29.2 H ASP 35 - HD2 LYS 31 far 5 90 5 - 7.3-12.0 H GLN 27 - HD3 LYS 24 far 4 87 5 - 7.6-12.1 H LYS 19 - HD3 LYS 31 far 4 81 5 - 4.6-21.9 H LYS 19 - HD2 LYS 31 far 4 80 5 - 6.2-22.2 H GLN 27 - HD2 LYS 31 lone 1 87 40 3 5.0-12.1 H GLN 27 - HD3 LYS 31 lone 1 87 30 3 5.6-12.0 H LYS 19 - HD2 LYS 24 far 0 80 0 - 7.7-16.5 H LYS 19 - HD2 LYS 26 far 0 81 0 - 8.0-21.5 H THR 65 - HD3 LYS 26 far 0 97 0 - 8.0-37.0 H GLN 27 - HD2 LYS 19 far 0 72 0 - 8.1-18.3 H LYS 19 - HD3 LYS 26 far 0 80 0 - 8.2-21.4 H LYS 26 - HD3 LYS 31 far 0 100 0 - 8.3-16.4 H LYS 26 - HD2 LYS 31 far 0 100 0 - 8.3-16.6 H GLN 27 - HD2 LYS 24 far 0 87 0 - 8.4-13.3 H LYS 24 - HD2 LYS 19 far 0 89 0 - 8.5-13.9 H LYS 19 - HD3 LYS 24 far 0 81 0 - 8.6-16.1 H GLN 27 - HD3 LYS 19 far 0 72 0 - 8.7-18.5 H ASP 35 - HD3 LYS 19 far 0 76 0 - 8.7-26.6 H ASP 35 - HD2 LYS 19 far 0 76 0 - 8.9-25.7 H ASP 35 - HD2 LYS 24 far 0 90 0 - 9.0-29.0 H GLY 14 - HD3 LYS 31 far 0 100 0 - 9.1-29.9 H LYS 26 - HD2 LYS 36 far 0 92 0 - 9.1-19.8 H LYS 24 - HD3 LYS 19 far 0 89 0 - 9.5-13.6 H GLY 14 - HD2 LYS 31 far 0 100 0 - 9.7-29.0 H GLN 27 - HD2 LYS 36 far 0 75 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 649 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 4.34 A): 11 out of 99 assignments used, quality = 1.00: HA LYS 31 + HD3 LYS 31 OK 98 99 100 100 2.0-4.8 5.2=58, 822/2.9=31...(34) HA LYS 31 + HD2 LYS 31 OK 98 99 100 100 2.0-4.9 5.2=58, 822/2.9=31...(34) HA LYS 26 + HD3 LYS 26 OK 94 100 95 99 2.5-5.2 5.0=66, ~6253=36...(33) HA LYS 36 + HD3 LYS 36 OK 90 90 100 100 4.1-5.2 5.3=56, ~6394=34...(30) HA LYS 36 + HD2 LYS 36 OK 90 90 100 100 4.2-5.0 5.3=56, ~6394=34...(30) HA LYS 19 + HD2 LYS 19 OK 75 89 85 99 3.6-5.5 5.2=59, 11871/10696=34...(42) HA LYS 19 + HD3 LYS 19 OK 75 89 85 99 3.9-5.5 5.2=59, 627/3.0=28...(41) * HA LYS 26 + HD2 LYS 26 OK 60 100 60 99 3.8-5.5 5.0=66, ~6253=36...(32) HA LEU 22 + HD2 LYS 24 OK 34 100 55 61 2.0-8.9 401/10812=21, ~1309=12...(12) HA LEU 22 + HD3 LYS 24 OK 25 100 45 55 1.9-8.8 ~1309=12, 11967/3.0=9...(12) HA THR 25 + HD3 LYS 26 OK 22 78 30 95 4.3-7.0 11150/2.9=52...(16) HA THR 25 - HD2 LYS 26 poor 20 78 25 - 3.0-7.4 HA ARG 23 - HD3 LYS 24 far 13 89 15 - 3.7-7.9 HA ALA 15 - HD3 LYS 19 far 11 76 15 - 4.8-12.5 HA LYS 31 - HD3 LYS 26 far 10 98 10 - 5.0-16.1 HA ARG 23 - HD2 LYS 24 far 9 89 10 - 4.8-8.7 HA ALA 15 - HD2 LYS 19 far 8 76 10 - 4.4-12.5 HA THR 18 - HD3 LYS 19 far 6 62 10 - 5.1-7.8 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 2.1-21.0 HA LYS 19 - HD2 LYS 31 far 5 100 5 - 3.8-21.0 HA LEU 22 - HD3 LYS 31 far 5 100 5 - 5.1-21.9 HA LYS 31 - HD2 LYS 26 far 5 99 5 - 3.8-16.5 HA ARG 23 - HD2 LYS 26 far 4 89 5 - 2.1-11.5 HA ARG 23 - HD3 LYS 26 far 4 88 5 - 3.6-11.3 HA ALA 21 - HD2 LYS 24 far 4 80 5 - 5.0-11.7 HA THR 25 - HD3 LYS 24 far 4 78 5 - 3.4-7.5 HA THR 25 - HD2 LYS 24 far 4 78 5 - 5.2-8.2 HA GLN 27 - HD2 LYS 26 far 4 71 5 - 3.8-7.8 HA GLN 27 - HD3 LYS 31 far 4 71 5 - 4.6-13.2 HA THR 18 - HD2 LYS 19 far 3 62 5 - 5.2-7.4 HA ALA 16 - HD3 LYS 19 lone 1 87 35 4 2.1-10.6 7131/6.2=1 HA ALA 16 - HD2 LYS 19 lone 1 87 30 5 3.4-10.2 7131/6.2=1 HA GLN 27 - HD2 LYS 31 far 0 71 0 - 5.4-13.0 HA GLN 27 - HD3 LYS 26 far 0 70 0 - 5.5-7.8 HA SER 74 - HD3 LYS 19 far 0 64 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 99 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 90 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 81 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 100 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 89 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 76 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 81 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 100 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 89 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 76 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 76 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 86 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 78 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 64 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 96 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 89 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 100 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 100 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 99 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 90 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 76 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 76 0 - 7.5-20.7 HA GLN 27 - HD2 LYS 19 far 0 57 0 - 7.5-19.3 HA LYS 36 - HD2 LYS 31 far 0 99 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 66 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 86 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 78 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 66 0 - 7.7-10.6 HA GLN 27 - HD3 LYS 19 far 0 57 0 - 7.7-20.4 HA LYS 36 - HD3 LYS 26 far 0 99 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 80 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 76 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 99 0 - 8.1-15.3 HA ALA 21 - HD3 LYS 31 far 0 81 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 99 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 96 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 95 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 74 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 99 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 74 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 76 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 71 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 89 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 90 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 92 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 96 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 90 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 92 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 71 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 90 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 99 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 90 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 75 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 80 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 92 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 66 0 - 9.7-20.9 HA LEU 22 - HD2 LYS 19 far 0 89 0 - 9.9-12.2 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 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.0 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.1-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.3-3.6 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 99 15 - 2.6-13.4 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.8-12.9 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 ARG 23 - HD2 LYS 26 far 5 100 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 24 far 5 100 5 - 4.6-9.3 HB2 LYS 31 - HD2 LYS 26 lone 2 99 25 8 2.4-13.9 809/6347=4, 6331/6335=2 HB2 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.4-10.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 0 99 0 - 5.5-13.8 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 100 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 87 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 88 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 87 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 89 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 92 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 88 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 99 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 92 0 - 8.3-21.2 HB2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.6-16.5 HB2 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 89 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 89 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 651 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 4.17 A): 10 out of 63 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.5 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.9-3.9 3.9=100 HB ILE 32 - HD2 LYS 31 poor 20 100 20 - 4.9-9.0 HB ILE 32 - HD2 LYS 26 far 15 100 15 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 15 100 15 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 14 92 15 - 4.6-8.0 HB ILE 32 - HD3 LYS 26 far 10 100 10 - 4.8-14.9 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 ARG 23 - HD2 LYS 26 far 10 100 10 - 4.3-13.4 HB3 LYS 24 - HD3 LYS 26 far 10 99 10 - 2.8-11.2 HB3 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 5 100 5 - 4.9-13.2 HB3 LYS 31 - HD2 LYS 26 far 5 99 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.3-19.1 HB3 LYS 31 - HD3 LYS 26 far 5 99 5 - 3.8-14.8 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 100 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 92 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 99 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 87 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 100 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 99 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 89 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 89 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 89 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 89 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 89 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 89 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 90 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 71 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 89 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.5-17.0 HB2 CYS 79 - HD2 LYS 36 far 0 71 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 91 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 652 from cnoeabs.peaks (1.43, 1.66, 28.90 ppm; 3.31 A): 8 out of 63 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 2.3-2.9 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.6-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.4-3.0 3.0=100 QB ALA 16 - HD3 LYS 19 poor 15 50 30 - 2.4-9.7 HG13 ILE 32 - HD3 LYS 31 far 15 99 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 31 far 15 99 15 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 far 10 99 10 - 3.0-13.6 QB ALA 34 - HD2 LYS 26 far 9 93 10 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 far 9 93 10 - 2.0-17.7 QB ALA 16 - HD2 LYS 19 far 5 50 10 - 2.3-9.2 HG13 ILE 32 - HD3 LYS 26 far 5 99 5 - 3.5-12.7 HG2 LYS 31 - HD3 LYS 26 far 5 98 5 - 3.8-15.2 HG3 LYS 24 - HD2 LYS 26 far 5 95 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-12.6 QB ALA 16 - HD2 LYS 31 far 3 63 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 3 63 5 - 4.1-20.4 HG2 LYS 31 - HD2 LYS 26 far 0 98 0 - 4.4-16.1 QB ALA 34 - HD3 LYS 36 far 0 82 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 79 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 93 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 79 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 82 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.4-14.1 HG13 ILE 32 - HD2 LYS 36 far 0 90 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 93 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 96 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 97 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 97 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 93 0 - 6.5-11.5 QB ALA 34 - HD3 LYS 31 far 0 93 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 88 0 - 7.0-13.1 HG13 ILE 32 - HD3 LYS 36 far 0 90 0 - 7.1-11.7 HG3 LYS 24 - HD3 LYS 31 far 0 95 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 98 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 92 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 96 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 98 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 88 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 88 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 88 0 - 8.7-22.9 QB ALA 16 - HD2 LYS 36 far 0 52 0 - 8.8-27.2 HG2 LYS 26 - HD3 LYS 19 far 0 90 0 - 8.9-21.1 QB ALA 16 - HD3 LYS 26 far 0 62 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 63 0 - 9.0-17.1 QB ALA 16 - HD2 LYS 26 far 0 63 0 - 9.2-22.3 QB ALA 16 - HD3 LYS 36 far 0 52 0 - 9.5-28.4 HG3 LYS 24 - HD2 LYS 19 far 0 81 0 - 9.5-15.6 QB ALA 16 - HD3 LYS 24 far 0 63 0 - 9.6-16.6 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 96 0 - 9.9-15.8 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 87 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 74 74 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 74 74 100 100 2.4-3.0 3.0=100 QB ALA 28 - HD2 LYS 26 poor 20 100 20 - 4.6-9.5 QB ALA 15 - HD2 LYS 19 poor 18 89 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 poor 18 89 20 - 3.1-10.4 QB ALA 29 - HD2 LYS 26 far 15 100 15 - 4.1-12.5 HG3 LYS 31 - HD3 LYS 26 far 10 98 10 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 100 5 - 3.7-21.3 QB ALA 15 - HD3 LYS 31 far 5 100 5 - 5.0-22.0 QB ALA 29 - HD3 LYS 26 far 5 100 5 - 4.6-11.8 HG2 LYS 24 - HD2 LYS 26 far 5 100 5 - 5.0-12.5 QB ALA 28 - HD3 LYS 26 far 5 100 5 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.1-12.5 HG3 LYS 31 - HD2 LYS 26 far 5 98 5 - 4.8-16.4 QB ALA 28 - HD2 LYS 19 far 4 89 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 89 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 31 far 4 76 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 4 76 5 - 4.1-20.4 QB ALA 16 - HD3 LYS 19 lone 1 62 45 5 2.4-9.7 QB ALA 16 - HD2 LYS 19 lone 1 62 40 5 2.3-9.2 QB ALA 29 - HD2 LYS 36 far 0 92 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 89 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 64 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 64 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 89 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 88 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 92 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 89 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 89 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 100 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 89 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 91 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 88 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 89 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 91 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 78 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 98 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 100 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 64 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 75 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 76 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 78 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 89 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 76 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 92 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 89 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 78 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 64 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 76 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 89 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 88 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 100 0 - 10.0-20.6 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 87 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 2.3-3.0 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 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 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 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 96 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 60 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 60 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 91 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 90 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 88 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 84 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.9-20.9 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 87 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 2.3-3.0 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 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 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 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 96 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 60 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 60 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 91 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 90 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 88 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 84 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 659 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 11 out of 48 assignments used, quality = 1.00: * H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.6 5.7=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 1.8-4.9 5.7=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-5.0 5.9=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-5.5 5.9=100 H GLN 27 + HD3 LYS 26 OK 87 87 100 100 3.9-5.8 6262/3.5=80, 6263/3.5=80...(20) H GLN 27 + HD2 LYS 26 OK 86 86 100 100 2.7-5.8 6262/3.5=80, 6263/3.5=80...(20) H LYS 19 + HD2 LYS 19 OK 71 71 100 100 1.9-4.9 6.2=100 H LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.0-5.4 6.2=100 H ASP 35 + HD2 LYS 36 OK 69 73 100 95 3.5-6.7 6387/6.1=75...(7) H ASP 35 + HD3 LYS 36 OK 69 73 100 95 3.2-6.5 6387/6.1=75...(7) H LYS 26 + HD3 LYS 24 OK 24 100 35 69 5.4-9.8 4.6/544=54, 582/11832=30 H LYS 24 - HD2 LYS 26 poor 20 100 20 - 3.0-11.9 H LYS 24 - HD3 LYS 26 far 15 100 15 - 4.3-11.4 H LYS 26 - HD2 LYS 24 far 15 100 15 - 6.4-10.1 H GLY 14 - HD3 LYS 19 far 14 93 15 - 5.9-15.0 H ASP 35 - HD2 LYS 26 poor 11 90 30 40 5.5-20.4 10884/10833=20...(3) H GLY 14 - HD2 LYS 19 far 9 93 10 - 7.1-14.6 H ASP 35 - HD3 LYS 26 poor 8 90 30 28 4.7-19.3 11784/10837=23, 9416/10829=3 H LYS 24 - HD3 LYS 31 far 5 100 5 - 6.3-19.9 H LYS 24 - HD2 LYS 31 far 5 100 5 - 6.9-19.7 H THR 65 - HD2 LYS 26 far 5 97 5 - 7.1-38.2 H ASP 35 - HD3 LYS 31 far 4 90 5 - 7.4-12.3 H ASP 35 - HD3 LYS 24 far 4 90 5 - 7.5-29.2 H ASP 35 - HD2 LYS 31 far 4 89 5 - 7.3-12.0 H GLN 27 - HD3 LYS 24 far 4 86 5 - 7.6-12.1 H LYS 19 - HD3 LYS 31 far 4 80 5 - 4.6-21.9 H LYS 19 - HD2 LYS 31 far 4 80 5 - 6.2-22.2 H GLN 27 - HD2 LYS 31 lone 1 86 40 3 5.0-12.1 H GLN 27 - HD3 LYS 31 lone 1 86 30 3 5.6-12.0 H LYS 19 - HD2 LYS 24 far 0 80 0 - 7.7-16.5 H LYS 19 - HD2 LYS 26 far 0 80 0 - 8.0-21.5 H THR 65 - HD3 LYS 26 far 0 97 0 - 8.0-37.0 H GLN 27 - HD2 LYS 19 far 0 77 0 - 8.1-18.3 H LYS 19 - HD3 LYS 26 far 0 81 0 - 8.2-21.4 H LYS 26 - HD3 LYS 31 far 0 100 0 - 8.3-16.4 H LYS 26 - HD2 LYS 31 far 0 100 0 - 8.3-16.6 H GLN 27 - HD2 LYS 24 far 0 86 0 - 8.4-13.3 H LYS 24 - HD2 LYS 19 far 0 94 0 - 8.5-13.9 H LYS 19 - HD3 LYS 24 far 0 80 0 - 8.6-16.1 H GLN 27 - HD3 LYS 19 far 0 77 0 - 8.7-18.5 H ASP 35 - HD3 LYS 19 far 0 81 0 - 8.7-26.6 H ASP 35 - HD2 LYS 19 far 0 81 0 - 8.9-25.7 H ASP 35 - HD2 LYS 24 far 0 89 0 - 9.0-29.0 H GLY 14 - HD3 LYS 31 far 0 100 0 - 9.1-29.9 H LYS 26 - HD2 LYS 36 far 0 87 0 - 9.1-19.8 H LYS 24 - HD3 LYS 19 far 0 94 0 - 9.5-13.6 H GLY 14 - HD2 LYS 31 far 0 99 0 - 9.7-29.0 H GLN 27 - HD2 LYS 36 far 0 70 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 660 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 4.33 A): 11 out of 99 assignments used, quality = 1.00: HA LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.0-4.8 5.2=57, 822/2.9=31...(34) HA LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.0-4.9 5.2=57, 822/2.9=31...(34) * HA LYS 26 + HD3 LYS 26 OK 94 100 95 99 2.5-5.2 5.0=66, ~6253=36...(33) HA LYS 36 + HD3 LYS 36 OK 85 85 100 100 4.1-5.2 5.3=56, ~6394=34...(30) HA LYS 36 + HD2 LYS 36 OK 85 85 100 100 4.2-5.0 5.3=56, ~6394=34...(30) HA LYS 19 + HD2 LYS 19 OK 79 94 85 99 3.6-5.5 5.2=59, 11871/10696=35...(42) HA LYS 19 + HD3 LYS 19 OK 79 94 85 99 3.9-5.5 5.2=59, 627/3.0=28...(41) HA LYS 26 + HD2 LYS 26 OK 60 100 60 99 3.8-5.5 5.0=66, ~6253=36...(32) HA LEU 22 + HD2 LYS 24 OK 34 100 55 61 2.0-8.9 401/10812=21, ~1309=12...(12) HA LEU 22 + HD3 LYS 24 OK 25 100 45 55 1.9-8.8 ~1309=12, 11967/3.0=9...(12) HA THR 25 + HD3 LYS 26 OK 22 78 30 95 4.3-7.0 11150/2.9=52...(16) HA THR 25 - HD2 LYS 26 poor 19 78 25 - 3.0-7.4 HA ARG 23 - HD3 LYS 24 far 13 88 15 - 3.7-7.9 HA ALA 15 - HD3 LYS 19 far 12 81 15 - 4.8-12.5 HA ARG 23 - HD2 LYS 24 far 9 88 10 - 4.8-8.7 HA ALA 15 - HD2 LYS 19 far 8 81 10 - 4.4-12.5 HA THR 18 - HD3 LYS 19 far 7 66 10 - 5.1-7.8 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 2.1-21.0 HA LYS 19 - HD2 LYS 31 far 5 100 5 - 3.8-21.0 HA LEU 22 - HD3 LYS 31 far 5 100 5 - 5.1-21.9 HA LYS 31 - HD3 LYS 26 far 5 99 5 - 5.0-16.1 HA LYS 31 - HD2 LYS 26 far 5 98 5 - 3.8-16.5 HA ARG 23 - HD3 LYS 26 far 4 89 5 - 3.6-11.3 HA ARG 23 - HD2 LYS 26 far 4 88 5 - 2.1-11.5 HA ALA 21 - HD2 LYS 24 far 4 80 5 - 5.0-11.7 HA THR 25 - HD3 LYS 24 far 4 78 5 - 3.4-7.5 HA THR 25 - HD2 LYS 24 far 4 77 5 - 5.2-8.2 HA GLN 27 - HD2 LYS 26 far 4 70 5 - 3.8-7.8 HA GLN 27 - HD3 LYS 31 far 4 70 5 - 4.6-13.2 HA THR 18 - HD2 LYS 19 far 3 66 5 - 5.2-7.4 HA ALA 16 - HD3 LYS 19 lone 2 92 35 5 2.1-10.6 7131/6.2=1 HA ALA 16 - HD2 LYS 19 lone 1 92 30 5 3.4-10.2 7131/6.2=1 HA GLN 27 - HD2 LYS 31 far 0 70 0 - 5.4-13.0 HA GLN 27 - HD3 LYS 26 far 0 71 0 - 5.5-7.8 HA SER 74 - HD3 LYS 19 far 0 69 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 98 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 89 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 80 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 100 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 88 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 75 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 80 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 100 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 88 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 81 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 75 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 91 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 77 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 69 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 95 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 83 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 100 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 100 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 99 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 90 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 75 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 81 0 - 7.5-20.7 HA GLN 27 - HD2 LYS 19 far 0 62 0 - 7.5-19.3 HA LYS 36 - HD2 LYS 31 far 0 99 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 71 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 91 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 78 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 71 0 - 7.7-10.6 HA GLN 27 - HD3 LYS 19 far 0 62 0 - 7.7-20.4 HA LYS 36 - HD3 LYS 26 far 0 99 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 81 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 75 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 99 0 - 8.1-15.3 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 99 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 95 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 96 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 79 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 98 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 79 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 75 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 70 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 83 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 94 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 87 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 95 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 94 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 91 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 70 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 90 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 98 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 90 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 76 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 80 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 87 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 62 0 - 9.7-20.9 HA LEU 22 - HD2 LYS 19 far 0 94 0 - 9.9-12.2 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 1.9-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.0 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.1-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 94 94 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.3-3.6 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 99 15 - 2.6-13.4 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.8-12.9 HB2 ARG 23 - HD2 LYS 26 far 5 99 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 24 far 5 99 5 - 4.6-9.3 HB2 LYS 31 - HD2 LYS 26 lone 2 99 25 8 2.4-13.9 809/6348=4, 6331/6335=2 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 5.4-10.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 0 100 0 - 5.5-13.8 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 92 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 93 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 92 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 84 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 87 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 93 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 98 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 87 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 87 0 - 8.3-21.2 HB2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.6-16.5 HB2 LYS 19 - HD3 LYS 36 far 0 87 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 94 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 84 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 662 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 4.16 A): 10 out of 63 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 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 2.3-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.1-3.8 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 92 92 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 92 92 100 100 2.9-3.9 3.9=100 HB2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.5 3.5=100 HB ILE 32 - HD2 LYS 31 poor 20 100 20 - 4.9-9.0 HB ILE 32 - HD2 LYS 26 far 15 100 15 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 15 100 15 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 13 87 15 - 4.6-8.0 HB ILE 32 - HD3 LYS 26 far 10 100 10 - 4.8-14.9 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB3 ARG 23 - HD2 LYS 26 far 10 100 10 - 4.3-13.4 HB3 LYS 24 - HD2 LYS 26 far 10 99 10 - 2.5-11.6 HB3 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 5 100 5 - 4.9-13.2 HB3 LYS 31 - HD3 LYS 26 far 5 99 5 - 3.8-14.8 HB3 LYS 31 - HD2 LYS 26 far 5 99 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.3-19.1 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 100 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 87 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 92 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 92 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 99 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 98 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 99 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 99 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 99 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 98 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 93 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 87 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 93 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 84 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 94 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 84 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 84 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 94 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 93 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 66 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 87 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 94 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 93 0 - 9.5-17.0 HB2 CYS 79 - HD2 LYS 36 far 0 66 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 86 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 663 from cnoeabs.peaks (1.43, 1.66, 28.90 ppm; 3.31 A): 8 out of 63 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.6-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 88 88 100 100 2.4-3.0 3.0=100 QB ALA 16 - HD3 LYS 19 poor 16 54 30 - 2.4-9.7 HG13 ILE 32 - HD3 LYS 31 far 15 99 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 31 far 15 99 15 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 far 10 99 10 - 3.0-13.6 QB ALA 34 - HD3 LYS 26 far 9 93 10 - 2.0-17.7 QB ALA 34 - HD2 LYS 26 far 9 93 10 - 3.3-18.8 QB ALA 16 - HD2 LYS 19 far 5 54 10 - 2.3-9.2 HG13 ILE 32 - HD3 LYS 26 far 5 99 5 - 3.5-12.7 HG2 LYS 31 - HD3 LYS 26 far 5 98 5 - 3.8-15.2 HG3 LYS 24 - HD3 LYS 26 far 5 95 5 - 3.7-12.6 HG3 LYS 24 - HD2 LYS 26 far 5 94 5 - 3.9-13.0 QB ALA 16 - HD3 LYS 31 far 3 62 5 - 4.1-20.4 QB ALA 16 - HD2 LYS 31 far 3 62 5 - 2.7-21.0 HG2 LYS 31 - HD2 LYS 26 far 0 98 0 - 4.4-16.1 QB ALA 34 - HD3 LYS 36 far 0 76 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 84 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 93 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 84 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 76 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.4-14.1 HG13 ILE 32 - HD2 LYS 36 far 0 85 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 92 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 97 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 96 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 96 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 92 0 - 6.5-11.5 QB ALA 34 - HD3 LYS 31 far 0 93 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 87 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 90 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 83 0 - 7.0-13.1 HG13 ILE 32 - HD3 LYS 36 far 0 85 0 - 7.1-11.7 HG3 LYS 24 - HD3 LYS 31 far 0 94 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 97 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 87 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 96 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 98 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 83 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 92 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 92 0 - 8.7-22.9 QB ALA 16 - HD2 LYS 36 far 0 48 0 - 8.8-27.2 HG2 LYS 26 - HD3 LYS 19 far 0 94 0 - 8.9-21.1 QB ALA 16 - HD3 LYS 26 far 0 63 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 62 0 - 9.0-17.1 QB ALA 16 - HD2 LYS 26 far 0 62 0 - 9.2-22.3 QB ALA 16 - HD3 LYS 36 far 0 48 0 - 9.5-28.4 HG3 LYS 24 - HD2 LYS 19 far 0 85 0 - 9.5-15.6 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 9.6-16.6 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 96 0 - 9.9-15.8 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 87 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 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 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 79 79 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.4-3.0 3.0=100 QB ALA 28 - HD2 LYS 26 poor 20 100 20 - 4.6-9.5 QB ALA 15 - HD2 LYS 19 poor 19 94 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 poor 19 94 20 - 3.1-10.4 QB ALA 29 - HD2 LYS 26 far 15 100 15 - 4.1-12.5 HG3 LYS 31 - HD3 LYS 26 far 10 98 10 - 4.1-16.0 QB ALA 29 - HD3 LYS 26 far 5 100 5 - 4.6-11.8 QB ALA 15 - HD2 LYS 31 far 5 100 5 - 3.7-21.3 QB ALA 28 - HD3 LYS 26 far 5 100 5 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.1-12.5 QB ALA 15 - HD3 LYS 31 far 5 100 5 - 5.0-22.0 HG2 LYS 24 - HD2 LYS 26 far 5 100 5 - 5.0-12.5 HG3 LYS 31 - HD2 LYS 26 far 5 98 5 - 4.8-16.4 QB ALA 28 - HD2 LYS 19 far 5 94 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 5 94 5 - 4.7-17.0 QB ALA 16 - HD3 LYS 31 far 4 75 5 - 4.1-20.4 QB ALA 16 - HD2 LYS 31 far 4 75 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 19 lone 1 66 45 5 2.4-9.7 QB ALA 16 - HD2 LYS 19 lone 1 66 40 5 2.3-9.2 QB ALA 29 - HD2 LYS 36 far 0 87 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 88 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 69 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 69 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 88 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 89 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 87 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 90 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 88 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 94 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 100 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 94 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 86 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 87 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 83 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 94 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 86 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 78 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 97 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 100 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 59 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 76 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 75 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 77 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 87 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 88 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 75 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 87 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 94 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 78 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 59 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 75 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 88 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 83 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 100 0 - 10.0-20.6 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 87 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 2.2-3.0 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 82 82 100 100 2.4-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 96 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 87 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 87 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 95 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 86 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 87 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 94 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 55 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 55 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 86 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 86 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 92 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 94 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 94 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 86 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 87 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 83 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 83 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 92 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 79 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.9-20.9 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 87 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 2.2-3.0 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 82 82 100 100 2.4-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 96 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 87 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 87 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 95 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 86 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 87 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 94 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 55 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 55 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 86 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 86 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 92 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 94 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 94 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 86 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 87 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 83 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 83 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 92 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 79 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.9-20.9 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 98 assignments used, quality = 1.00: HA LYS 19 + HE3 LYS 19 OK 99 100 100 99 4.2-6.1 6.4=66, 627/3.8=33...(35) HA LYS 26 + HE3 LYS 26 OK 98 100 100 98 3.2-6.0 6.6=60, 627/3.6=35...(23) HA LYS 31 + HE3 LYS 31 OK 98 99 100 99 2.6-6.0 6.5=63, 822/3.7=37...(27) HA LYS 31 + HE2 LYS 31 OK 97 98 100 99 2.0-6.1 6.5=63, 822/3.7=37...(27) * HA LYS 26 + HE2 LYS 26 OK 93 100 95 98 2.8-6.5 6.6=60, 627/3.6=35...(23) HA LYS 19 + HE2 LYS 19 OK 88 94 95 99 4.1-6.6 6.4=66, 627/3.8=33...(35) HA LYS 36 + HE3 LYS 36 OK 87 97 90 100 4.7-6.5 6.0=81, 3.0/1064=46...(22) HA LYS 36 + HE2 LYS 36 OK 76 90 85 100 5.6-6.5 6.0=81, 3.0/1064=37...(22) HA PHE 87 + HE3 LYS 86 OK 75 95 80 98 4.4-7.9 4.9/2704=69...(9) HA THR 25 + HE3 LYS 26 OK 72 78 95 97 3.2-7.5 11150/3.6=62, 9587=49...(12) HA THR 25 + HE2 LYS 26 OK 68 78 90 97 2.8-7.9 11150/3.6=62...(13) HA LEU 22 + HE3 LYS 24 OK 29 98 55 54 2.1-8.7 11967/4.0=16...(9) HA LEU 22 + HE2 LYS 24 OK 23 87 60 45 3.1-8.8 11967/4.0=16, 282/4.0=9...(8) HA GLN 27 - HE2 LYS 31 poor 17 70 25 - 4.4-14.3 HA ALA 15 - HE2 LYS 19 poor 16 81 20 - 4.2-14.7 HA ARG 23 - HE3 LYS 24 poor 16 84 30 61 4.1-9.5 424/7.4=34, 833/4.0=10...(11) HA ALA 21 - HE3 LYS 24 poor 15 76 20 - 4.9-11.8 HA THR 18 - HE3 LYS 19 poor 15 75 20 - 4.8-9.2 HA THR 25 - HE3 LYS 24 poor 15 74 20 - 4.8-9.1 HA ARG 23 - HE2 LYS 24 poor 13 71 30 63 4.5-9.3 424/7.4=34, 833/4.0=10...(11) HA THR 25 - HE2 LYS 24 poor 12 62 20 - 6.1-9.0 HA LYS 19 - HE3 LYS 24 far 10 98 10 - 4.4-14.4 HA ALA 21 - HE2 LYS 24 far 10 64 15 - 6.3-12.4 HA ALA 15 - HE3 LYS 19 far 9 89 10 - 5.6-14.5 HA ARG 23 - HE2 LYS 26 far 9 89 10 - 3.6-11.8 HA ARG 23 - HE3 LYS 31 far 9 89 10 - 5.5-19.0 HA ARG 23 - HE2 LYS 31 far 9 88 10 - 4.9-18.7 HA LYS 19 - HE2 LYS 24 far 9 87 10 - 3.8-14.9 HA THR 25 - HE3 LYS 31 far 8 78 10 - 4.9-17.1 HA THR 25 - HE2 LYS 31 far 8 77 10 - 5.1-18.0 HA GLN 27 - HE3 LYS 26 far 7 71 10 - 5.4-8.7 HA GLN 27 - HE3 LYS 31 far 7 71 10 - 5.5-14.7 HA THR 18 - HE2 LYS 19 far 7 66 10 - 6.1-8.5 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 3.8-22.2 HA LEU 22 - HE2 LYS 31 far 5 100 5 - 4.9-22.6 HA LEU 22 - HE3 LYS 31 far 5 100 5 - 6.3-24.0 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 4.9-21.3 HA LYS 31 - HE3 LYS 26 far 5 99 5 - 4.7-17.0 HA LYS 31 - HE2 LYS 26 far 5 99 5 - 6.2-16.8 HA LYS 31 - HE3 LYS 19 far 5 98 5 - 6.1-21.9 HA ALA 12 - HE3 LYS 19 far 4 89 5 - 6.0-19.5 HA ARG 23 - HE3 LYS 26 far 4 89 5 - 3.1-11.4 HA ALA 12 - HE2 LYS 19 far 4 81 5 - 5.8-19.1 HA GLN 27 - HE2 LYS 26 far 4 71 5 - 6.3-9.1 HA GLN 27 - HE3 LYS 19 far 3 70 5 - 6.3-18.5 HA SER 74 - HE2 LYS 19 far 3 69 5 - 5.0-34.2 HA GLN 27 - HE2 LYS 19 far 3 62 5 - 5.9-19.7 HA THR 18 - HE2 LYS 24 far 3 59 5 - 5.8-15.2 HA ALA 16 - HE2 LYS 19 lone 2 92 35 7 3.7-12.6 7131/7.3=2 HA ALA 16 - HE3 LYS 19 lone 2 98 30 7 4.0-12.0 7131/7.3=2 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 73 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 77 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 91 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 89 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 90 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 72 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 100 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 88 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 71 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 96 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 80 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 81 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 89 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 76 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 99 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 67 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 94 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 79 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 99 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 96 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 81 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 87 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 75 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 71 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 96 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 80 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 96 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 99 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 83 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 81 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 62 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 99 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 74 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 90 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 92 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 76 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 90 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 79 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 55 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 2.0-4.7 4.8=85, 6250/7.1=27...(57) * HB2 LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.0-5.1 4.8=85, 6250/7.1=27...(57) HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.0-4.4 5.1=72, 6149/7.3=24...(64) HB2 LYS 31 + HE3 LYS 31 OK 98 99 100 99 3.1-5.4 4.8=83, 6331/7.1=26...(56) HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 99 1.9-4.8 4.8=83, 6331/7.1=26...(56) HB2 LYS 24 + HE3 LYS 24 OK 97 98 100 99 1.9-5.1 5.1=72, 491/6.4=35...(30) HB2 LYS 19 + HE2 LYS 19 OK 93 94 100 99 2.1-4.6 5.1=72, 6149/7.3=24...(64) HB ILE 80 + HE3 LYS 86 OK 87 87 100 100 1.9-5.1 ~11877=55, ~11243=54...(20) HB2 LYS 24 + HE2 LYS 24 OK 86 86 100 99 2.8-5.4 5.1=72, 491/6.4=35...(30) HG3 ARG 90 + HE3 LYS 86 OK 38 79 60 80 2.9-9.3 9651/9655=57...(5) HB2 ARG 23 - HE3 LYS 24 far 15 97 15 - 4.4-10.1 HB2 ARG 23 - HE2 LYS 24 far 13 86 15 - 4.3-10.8 HB2 LYS 24 - HE3 LYS 26 far 5 100 5 - 3.2-10.9 HB2 LYS 24 - HE2 LYS 26 far 5 100 5 - 3.9-12.6 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 ARG 23 - HE2 LYS 26 far 5 100 5 - 4.6-13.6 HB2 ARG 23 - HE3 LYS 26 far 5 100 5 - 5.4-12.0 HB2 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-20.1 HB2 LYS 31 - HE3 LYS 26 far 5 99 5 - 3.2-14.2 HB2 LYS 31 - HE2 LYS 26 far 5 99 5 - 4.5-15.1 HB2 LYS 31 - HE3 LYS 19 far 5 98 5 - 5.1-19.0 HB2 ARG 23 - HE2 LYS 31 far 0 99 0 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 31 far 0 100 0 - 5.6-20.3 HB2 LYS 31 - HE2 LYS 19 far 0 92 0 - 5.6-19.1 HB2 LYS 19 - HE2 LYS 24 far 0 87 0 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 19 far 0 99 0 - 5.8-12.3 HB2 LYS 26 - HE3 LYS 24 far 0 98 0 - 6.0-13.1 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.2-16.4 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 89 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 94 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 84 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 93 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 96 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 77 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 97 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 72 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 673 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 5.18 A): 14 out of 71 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.4 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.2-4.6 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.3-5.4 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-5.4 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 66 66 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 28 100 30 93 5.1-9.8 10825=30, 2.1/10840=22...(41) HB ILE 32 + HE2 LYS 31 OK 28 100 30 92 5.0-10.0 10825/1.8=28, 10825=23...(35) HB ILE 32 + HE2 LYS 26 OK 25 100 25 100 4.9-16.7 10833/3.0=77...(29) HB3 ARG 23 - HE3 LYS 24 far 15 98 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 13 86 15 - 4.3-10.0 HB ILE 32 - HE3 LYS 26 far 10 100 10 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 100 10 - 2.3-11.2 HB3 ARG 23 - HE3 LYS 26 far 10 100 10 - 4.7-12.6 HB3 LYS 19 - HE3 LYS 31 far 10 99 10 - 4.9-20.5 HB3 ARG 23 - HE3 LYS 31 far 5 100 5 - 5.9-19.8 HB3 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.9-13.4 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB3 LYS 24 - HE2 LYS 31 far 5 99 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 26 far 5 99 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 99 5 - 6.0-15.4 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 4.4-20.0 HB3 LYS 19 - HE3 LYS 24 far 5 96 5 - 5.9-15.4 HB ILE 32 - HE2 LYS 36 far 5 92 5 - 4.4-10.1 HB3 LYS 31 - HE2 LYS 19 far 5 92 5 - 5.4-20.0 HB ILE 32 - HE3 LYS 36 far 0 98 0 - 6.1-10.4 HB3 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.1-19.6 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 84 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 99 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 75 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 93 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 91 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 96 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 87 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 84 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 98 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 87 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 94 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 91 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 89 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 78 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 96 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 71 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 73 0 - 10.0-34.6 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 62 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 2.3-4.2 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 2.0-4.2 4.0=98, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 2.4-3.1 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-4.2 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 77 78 100 99 2.1-4.0 4.0=98, 484/6.4=22...(17) HG13 ILE 32 + HE2 LYS 31 OK 23 99 30 78 2.7-10.2 10757/6.5=17...(19) HG13 ILE 32 - HE3 LYS 31 poor 20 99 20 - 3.5-9.5 QB ALA 34 - HE2 LYS 26 poor 19 93 20 - 3.0-18.9 HG13 ILE 32 - HE2 LYS 26 far 15 99 15 - 3.8-14.7 QB ALA 16 - HE2 LYS 19 poor 11 54 20 - 3.3-11.4 HG13 ILE 32 - HE3 LYS 26 far 10 99 10 - 3.9-14.0 QB ALA 34 - HE3 LYS 26 far 9 93 10 - 2.6-18.8 HG2 LYS 31 - HE3 LYS 26 far 5 98 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 95 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 95 5 - 4.4-11.8 QB ALA 34 - HE3 LYS 19 far 5 92 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 84 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 4 76 5 - 4.5-27.4 QB ALA 16 - HE3 LYS 31 far 3 63 5 - 4.7-22.0 QB ALA 16 - HE3 LYS 19 far 3 62 5 - 4.2-11.0 QB ALA 16 - HE2 LYS 31 far 0 62 0 - 4.9-20.9 QB ALA 34 - HE2 LYS 31 far 0 92 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 94 0 - 5.6-22.4 HG2 LYS 26 - HE3 LYS 24 far 0 98 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 90 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 89 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 82 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 93 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 95 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-16.7 QB ALA 34 - HE3 LYS 36 far 0 89 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 83 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 99 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.1-13.9 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 7.3-12.5 QB ALA 16 - HE2 LYS 24 far 0 48 0 - 7.3-17.2 HG13 ILE 32 - HE2 LYS 19 far 0 92 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 95 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 97 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 88 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.3-22.8 QB ALA 16 - HE3 LYS 24 far 0 59 0 - 8.3-17.5 HG3 LYS 24 - HE2 LYS 19 far 0 85 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 95 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.8-20.6 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 79 assignments used, quality = 1.00: * HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.2-4.0 4.0=99, 3.0/1064=27...(23) HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-3.9 3.7=100 HG2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.0-4.2 4.0=99, 3.0/1064=22...(23) HG2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.2-4.2 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.7-4.1 3.8=100 QB ALA 15 - HE2 LYS 19 far 14 94 15 - 2.1-11.2 QB ALA 16 - HE2 LYS 19 poor 13 66 20 - 3.3-11.4 QB ALA 15 - HE3 LYS 19 far 10 100 10 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 7 75 10 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 7 69 10 - 4.0-16.7 QB ALA 29 - HE2 LYS 26 far 5 100 5 - 4.4-12.8 HG2 LYS 24 - HE3 LYS 31 far 5 100 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.7-11.5 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 3.2-17.3 HG2 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.8-12.5 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.3-13.1 QB ALA 28 - HE2 LYS 19 far 5 94 5 - 2.2-17.8 QB ALA 12 - HE3 LYS 19 far 4 77 5 - 3.8-17.0 QB ALA 16 - HE3 LYS 31 far 4 76 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 0 75 0 - 4.9-20.9 HG3 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 100 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 100 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 100 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 87 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 98 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 91 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 100 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 92 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 83 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 98 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 87 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 89 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 89 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 87 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 71 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 78 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 59 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 95 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 84 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 87 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 72 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 89 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 78 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 77 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 95 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 88 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 74 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 78 0 - 9.8-29.7 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 94 assignments used, quality = 1.00: HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 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 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 2.2-3.0 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 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 88 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 89 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 89 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 77 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 82 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-20.9 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 94 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 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 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 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 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 2.2-3.0 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 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 96 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 96 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 86 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 96 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 96 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 83 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 95 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 86 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 95 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 95 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 91 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 95 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 83 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 98 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 93 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 87 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 87 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 88 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 80 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 79 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 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 98 assignments used, quality = 1.00: HA LYS 19 + HE3 LYS 19 OK 99 100 100 99 4.2-6.1 6.4=66, 627/3.8=33...(35) * HA LYS 26 + HE3 LYS 26 OK 98 100 100 98 3.2-6.0 6.6=60, 627/3.6=35...(23) HA LYS 31 + HE3 LYS 31 OK 98 99 100 99 2.6-6.0 6.5=63, 822/3.7=37...(27) HA LYS 31 + HE2 LYS 31 OK 97 98 100 99 2.0-6.1 6.5=63, 822/3.7=37...(27) HA LYS 26 + HE2 LYS 26 OK 93 100 95 98 2.8-6.5 6.6=60, 627/3.6=35...(23) HA LYS 19 + HE2 LYS 19 OK 88 94 95 99 4.1-6.6 6.4=66, 627/3.8=33...(35) HA LYS 36 + HE3 LYS 36 OK 87 97 90 100 4.7-6.5 6.0=81, 3.0/1064=46...(22) HA LYS 36 + HE2 LYS 36 OK 76 90 85 100 5.6-6.5 6.0=81, 3.0/1064=37...(22) HA PHE 87 + HE3 LYS 86 OK 75 95 80 98 4.4-7.9 4.9/2704=69...(9) HA THR 25 + HE3 LYS 26 OK 72 78 95 97 3.2-7.5 11150/3.6=62, 9587=49...(12) HA THR 25 + HE2 LYS 26 OK 68 78 90 97 2.8-7.9 11150/3.6=62...(13) HA LEU 22 + HE3 LYS 24 OK 29 98 55 54 2.1-8.7 11967/4.0=16...(9) HA LEU 22 + HE2 LYS 24 OK 23 87 60 45 3.1-8.8 11967/4.0=16, 282/4.0=9...(8) HA GLN 27 - HE2 LYS 31 poor 17 70 25 - 4.4-14.3 HA ALA 15 - HE2 LYS 19 poor 16 81 20 - 4.2-14.7 HA ARG 23 - HE3 LYS 24 poor 16 84 30 61 4.1-9.5 424/7.4=34, 833/4.0=10...(11) HA ALA 21 - HE3 LYS 24 poor 15 76 20 - 4.9-11.8 HA THR 18 - HE3 LYS 19 poor 15 75 20 - 4.8-9.2 HA THR 25 - HE3 LYS 24 poor 15 74 20 - 4.8-9.1 HA ARG 23 - HE2 LYS 24 poor 13 71 30 63 4.5-9.3 424/7.4=34, 833/4.0=10...(11) HA THR 25 - HE2 LYS 24 poor 12 62 20 - 6.1-9.0 HA LYS 19 - HE3 LYS 24 far 10 98 10 - 4.4-14.4 HA ALA 21 - HE2 LYS 24 far 10 64 15 - 6.3-12.4 HA ALA 15 - HE3 LYS 19 far 9 89 10 - 5.6-14.5 HA ARG 23 - HE2 LYS 26 far 9 89 10 - 3.6-11.8 HA ARG 23 - HE3 LYS 31 far 9 89 10 - 5.5-19.0 HA ARG 23 - HE2 LYS 31 far 9 88 10 - 4.9-18.7 HA LYS 19 - HE2 LYS 24 far 9 87 10 - 3.8-14.9 HA THR 25 - HE3 LYS 31 far 8 78 10 - 4.9-17.1 HA THR 25 - HE2 LYS 31 far 8 77 10 - 5.1-18.0 HA GLN 27 - HE3 LYS 26 far 7 71 10 - 5.4-8.7 HA GLN 27 - HE3 LYS 31 far 7 71 10 - 5.5-14.7 HA THR 18 - HE2 LYS 19 far 7 66 10 - 6.1-8.5 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 3.8-22.2 HA LEU 22 - HE2 LYS 31 far 5 100 5 - 4.9-22.6 HA LEU 22 - HE3 LYS 31 far 5 100 5 - 6.3-24.0 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 4.9-21.3 HA LYS 31 - HE3 LYS 26 far 5 99 5 - 4.7-17.0 HA LYS 31 - HE2 LYS 26 far 5 99 5 - 6.2-16.8 HA LYS 31 - HE3 LYS 19 far 5 98 5 - 6.1-21.9 HA ALA 12 - HE3 LYS 19 far 4 89 5 - 6.0-19.5 HA ARG 23 - HE3 LYS 26 far 4 89 5 - 3.1-11.4 HA ALA 12 - HE2 LYS 19 far 4 81 5 - 5.8-19.1 HA GLN 27 - HE2 LYS 26 far 4 71 5 - 6.3-9.1 HA GLN 27 - HE3 LYS 19 far 3 70 5 - 6.3-18.5 HA SER 74 - HE2 LYS 19 far 3 69 5 - 5.0-34.2 HA GLN 27 - HE2 LYS 19 far 3 62 5 - 5.9-19.7 HA THR 18 - HE2 LYS 24 far 3 59 5 - 5.8-15.2 HA ALA 16 - HE2 LYS 19 lone 2 92 35 7 3.7-12.6 7131/7.3=2 HA ALA 16 - HE3 LYS 19 lone 2 98 30 7 4.0-12.0 7131/7.3=2 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 73 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 77 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 91 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 89 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 90 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 72 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 100 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 88 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 71 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 96 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 80 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 81 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 89 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 76 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 99 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 67 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 94 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 79 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 99 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 96 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 81 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 87 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 75 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 71 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 96 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 80 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 96 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 99 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 83 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 81 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 62 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 99 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 74 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 90 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 92 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 76 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 90 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 79 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 55 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: * HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 2.0-4.7 4.8=85, 6250/7.1=27...(57) HB2 LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.0-5.1 4.8=85, 6250/7.1=27...(57) HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.0-4.4 5.1=72, 6149/7.3=24...(64) HB2 LYS 31 + HE3 LYS 31 OK 98 99 100 99 3.1-5.4 4.8=83, 6331/7.1=26...(56) HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 99 1.9-4.8 4.8=83, 6331/7.1=26...(56) HB2 LYS 24 + HE3 LYS 24 OK 97 98 100 99 1.9-5.1 5.1=72, 491/6.4=35...(30) HB2 LYS 19 + HE2 LYS 19 OK 93 94 100 99 2.1-4.6 5.1=72, 6149/7.3=24...(64) HB ILE 80 + HE3 LYS 86 OK 87 87 100 100 1.9-5.1 ~11877=55, ~11243=54...(20) HB2 LYS 24 + HE2 LYS 24 OK 86 86 100 99 2.8-5.4 5.1=72, 491/6.4=35...(30) HG3 ARG 90 + HE3 LYS 86 OK 38 79 60 80 2.9-9.3 9651/9655=57...(5) HB2 ARG 23 - HE3 LYS 24 far 15 97 15 - 4.4-10.1 HB2 ARG 23 - HE2 LYS 24 far 13 86 15 - 4.3-10.8 HB2 LYS 24 - HE3 LYS 26 far 5 100 5 - 3.2-10.9 HB2 LYS 24 - HE2 LYS 26 far 5 100 5 - 3.9-12.6 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 ARG 23 - HE2 LYS 26 far 5 100 5 - 4.6-13.6 HB2 ARG 23 - HE3 LYS 26 far 5 100 5 - 5.4-12.0 HB2 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-20.1 HB2 LYS 31 - HE3 LYS 26 far 5 99 5 - 3.2-14.2 HB2 LYS 31 - HE2 LYS 26 far 5 99 5 - 4.5-15.1 HB2 LYS 31 - HE3 LYS 19 far 5 98 5 - 5.1-19.0 HB2 ARG 23 - HE2 LYS 31 far 0 99 0 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 31 far 0 100 0 - 5.6-20.3 HB2 LYS 31 - HE2 LYS 19 far 0 92 0 - 5.6-19.1 HB2 LYS 19 - HE2 LYS 24 far 0 87 0 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 19 far 0 99 0 - 5.8-12.3 HB2 LYS 26 - HE3 LYS 24 far 0 98 0 - 6.0-13.1 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.2-16.4 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 89 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 94 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 84 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 93 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 96 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 77 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 97 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 72 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 684 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 5.18 A): 14 out of 71 assignments used, quality = 1.00: HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 * HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.4 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.2-4.6 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.3-5.4 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-5.4 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 66 66 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 28 100 30 93 5.1-9.8 10825=30, 2.1/10840=22...(41) HB ILE 32 + HE2 LYS 31 OK 28 100 30 92 5.0-10.0 10825/1.8=28, 10825=23...(35) HB ILE 32 + HE2 LYS 26 OK 25 100 25 100 4.9-16.7 10833/3.0=77...(29) HB3 ARG 23 - HE3 LYS 24 far 15 98 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 13 86 15 - 4.3-10.0 HB ILE 32 - HE3 LYS 26 far 10 100 10 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 100 10 - 2.3-11.2 HB3 ARG 23 - HE3 LYS 26 far 10 100 10 - 4.7-12.6 HB3 LYS 19 - HE3 LYS 31 far 10 99 10 - 4.9-20.5 HB3 ARG 23 - HE3 LYS 31 far 5 100 5 - 5.9-19.8 HB3 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.9-13.4 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB3 LYS 24 - HE2 LYS 31 far 5 99 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 26 far 5 99 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 99 5 - 6.0-15.4 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 4.4-20.0 HB3 LYS 19 - HE3 LYS 24 far 5 96 5 - 5.9-15.4 HB ILE 32 - HE2 LYS 36 far 5 92 5 - 4.4-10.1 HB3 LYS 31 - HE2 LYS 19 far 5 92 5 - 5.4-20.0 HB ILE 32 - HE3 LYS 36 far 0 98 0 - 6.1-10.4 HB3 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.1-19.6 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 84 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 99 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 75 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 93 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 91 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 96 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 87 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 84 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 98 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 87 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 94 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 91 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 89 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 78 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 96 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 71 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 73 0 - 10.0-34.6 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 62 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 2.3-4.2 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 2.0-4.2 4.0=98, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 2.4-3.1 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-4.2 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 77 78 100 99 2.1-4.0 4.0=98, 484/6.4=22...(17) HG13 ILE 32 + HE2 LYS 31 OK 23 99 30 78 2.7-10.2 10757/6.5=17...(19) HG13 ILE 32 - HE3 LYS 31 poor 20 99 20 - 3.5-9.5 QB ALA 34 - HE2 LYS 26 poor 19 93 20 - 3.0-18.9 HG13 ILE 32 - HE2 LYS 26 far 15 99 15 - 3.8-14.7 QB ALA 16 - HE2 LYS 19 poor 11 54 20 - 3.3-11.4 HG13 ILE 32 - HE3 LYS 26 far 10 99 10 - 3.9-14.0 QB ALA 34 - HE3 LYS 26 far 9 93 10 - 2.6-18.8 HG2 LYS 31 - HE3 LYS 26 far 5 98 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 95 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 95 5 - 4.4-11.8 QB ALA 34 - HE3 LYS 19 far 5 92 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 84 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 4 76 5 - 4.5-27.4 QB ALA 16 - HE3 LYS 31 far 3 63 5 - 4.7-22.0 QB ALA 16 - HE3 LYS 19 far 3 62 5 - 4.2-11.0 QB ALA 16 - HE2 LYS 31 far 0 62 0 - 4.9-20.9 QB ALA 34 - HE2 LYS 31 far 0 92 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 94 0 - 5.6-22.4 HG2 LYS 26 - HE3 LYS 24 far 0 98 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 90 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 89 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 82 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 93 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 95 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-16.7 QB ALA 34 - HE3 LYS 36 far 0 89 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 83 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 99 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.1-13.9 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 7.3-12.5 QB ALA 16 - HE2 LYS 24 far 0 48 0 - 7.3-17.2 HG13 ILE 32 - HE2 LYS 19 far 0 92 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 95 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 97 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 88 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.3-22.8 QB ALA 16 - HE3 LYS 24 far 0 59 0 - 8.3-17.5 HG3 LYS 24 - HE2 LYS 19 far 0 85 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 95 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.8-20.6 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 79 assignments used, quality = 1.00: HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 * HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.2-4.0 4.0=99, 3.0/1064=27...(23) HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-3.9 3.7=100 HG2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.0-4.2 4.0=99, 3.0/1064=22...(23) HG2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.2-4.2 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.7-4.1 3.8=100 QB ALA 15 - HE2 LYS 19 far 14 94 15 - 2.1-11.2 QB ALA 16 - HE2 LYS 19 poor 13 66 20 - 3.3-11.4 QB ALA 15 - HE3 LYS 19 far 10 100 10 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 7 75 10 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 7 69 10 - 4.0-16.7 QB ALA 29 - HE2 LYS 26 far 5 100 5 - 4.4-12.8 HG2 LYS 24 - HE3 LYS 31 far 5 100 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.7-11.5 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 3.2-17.3 HG2 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.8-12.5 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.3-13.1 QB ALA 28 - HE2 LYS 19 far 5 94 5 - 2.2-17.8 QB ALA 12 - HE3 LYS 19 far 4 77 5 - 3.8-17.0 QB ALA 16 - HE3 LYS 31 far 4 76 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 0 75 0 - 4.9-20.9 HG3 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 100 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 100 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 100 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 87 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 98 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 91 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 100 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 92 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 83 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 98 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 87 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 89 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 89 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 87 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 71 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 78 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 59 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 95 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 84 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 87 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 72 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 89 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 78 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 77 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 95 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 88 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 74 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 78 0 - 9.8-29.7 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 94 assignments used, quality = 1.00: * HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 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 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 2.2-3.0 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 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 88 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 89 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 89 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 77 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 82 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-20.9 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 94 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 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 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 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 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 2.2-3.0 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 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 96 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 96 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 86 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 96 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 96 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 83 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 95 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 86 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 95 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 95 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 91 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 95 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 83 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 98 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 93 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 87 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 87 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 88 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 80 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 79 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 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 2.7-2.9 3.0=100 H LYS 26 - HA GLN 27 far 0 87 0 - 5.2-6.0 H LYS 24 - HA GLU 30 far 0 30 0 - 7.3-17.8 H GLN 27 - HA GLU 30 far 0 41 0 - 7.5-11.3 H LYS 24 - HA GLN 27 far 0 85 0 - 7.6-10.8 H ASP 35 - HA GLU 30 far 0 41 0 - 8.3-11.8 H LYS 26 - HA GLU 30 far 0 31 0 - 8.6-13.4 H ASP 35 - HA GLN 27 far 0 100 0 - 9.4-17.8 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 2.3-3.0 3.0=100 HB2 GLU 30 + HA GLU 30 OK 38 38 100 100 2.4-3.0 3.0=100 HB2 GLU 30 - HA GLN 27 far 0 98 0 - 4.2-9.0 HB2 GLN 27 - HA GLU 30 far 0 41 0 - 6.9-10.5 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 2.3-2.9 3.0=100 HB3 GLN 27 - HA GLU 30 far 0 41 0 - 5.9-9.6 QE MET 11 - HA GLN 27 far 0 83 0 - 8.8-29.2 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 2.3-3.9 3.7=100 HG3 GLN 27 + HA GLN 27 OK 99 99 100 100 2.7-4.2 3.7=100 HG3 GLU 30 + HA GLU 30 OK 28 28 100 100 2.1-3.7 3.8=96, 1.8/775=61...(15) HG3 GLU 30 - HA GLN 27 far 4 81 5 - 4.1-9.2 HG3 GLN 27 - HA GLU 30 far 4 40 10 - 4.4-11.3 HG2 GLN 27 - HA GLU 30 far 0 41 0 - 5.0-11.1 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 2.7-4.2 3.7=100 HG2 GLN 27 + HA GLN 27 OK 99 99 100 100 2.3-3.9 3.7=100 HG3 GLU 30 + HA GLU 30 OK 21 21 100 100 2.1-3.7 3.8=96, 1.8/775=61...(15) HG3 GLN 27 - HA GLU 30 far 4 41 10 - 4.4-11.3 HG3 GLU 30 - HA GLN 27 far 3 65 5 - 4.1-9.2 HG2 GLN 27 - HA GLU 30 far 0 40 0 - 5.0-11.1 Violated in 0 structures by 0.00 A. Peak 700 from cnoeabs.peaks (8.33, 4.24, 56.10 ppm; 2.86 A): 1 out of 5 assignments used, quality = 0.92: * H ALA 28 + HA GLN 27 OK 92 100 100 92 2.2-3.6 3.6=51, 6298/3.0=40...(13) H ALA 28 - HA GLU 30 far 0 41 0 - 5.6-7.8 H LYS 19 - HA GLU 30 far 0 27 0 - 7.9-22.0 H LYS 19 - HA GLN 27 far 0 78 0 - 7.9-17.9 H ALA 21 - HA GLN 27 far 0 85 0 - 9.0-15.5 Violated in 9 structures by 0.24 A. Peak 701 from cnoeabs.peaks (8.39, 1.96, 29.32 ppm; 3.17 A): 1 out of 8 assignments used, quality = 1.00: * H GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.1-3.0 6271=100, 6272/1.8=74...(15) H GLN 27 - HB2 GLU 30 far 0 84 0 - 4.8-9.4 H LYS 26 - HB2 GLN 27 far 0 87 0 - 5.1-7.3 H LYS 24 - HB2 GLU 30 far 0 65 0 - 5.6-17.5 H LYS 24 - HB2 GLN 27 far 0 85 0 - 5.9-11.7 H LYS 26 - HB2 GLU 30 far 0 67 0 - 6.2-12.0 H ASP 35 - HB2 GLN 27 far 0 100 0 - 8.5-17.8 H ASP 35 - HB2 GLU 30 far 0 84 0 - 9.9-13.7 Violated in 0 structures by 0.00 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 2.3-3.0 3.0=100 HA GLU 30 + HB2 GLU 30 OK 67 67 100 100 2.4-3.0 3.0=100 HA ALA 28 - HB2 GLN 27 far 5 99 5 - 3.9-5.9 HA ALA 29 - HB2 GLN 27 far 5 92 5 - 4.0-8.8 HA GLN 27 - HB2 GLU 30 far 4 84 5 - 4.2-9.0 HA ALA 28 - HB2 GLU 30 far 0 82 0 - 4.4-6.7 HA LYS 26 - HB2 GLN 27 far 0 71 0 - 4.5-6.2 HA ALA 29 - HB2 GLU 30 far 0 72 0 - 4.8-5.8 HA LYS 19 - HB2 GLU 30 far 0 57 0 - 5.8-20.1 HA LYS 26 - HB2 GLU 30 far 0 53 0 - 5.9-11.6 HA LYS 19 - HB2 GLN 27 far 0 76 0 - 6.5-18.6 HA LEU 22 - HB2 GLU 30 far 0 55 0 - 6.6-20.3 HA GLU 30 - HB2 GLN 27 far 0 87 0 - 6.9-10.5 HA LEU 22 - HB2 GLN 27 far 0 73 0 - 7.6-15.4 Violated in 0 structures by 0.00 A. Peak 703 from cnoeabs.peaks (1.96, 1.96, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 HB2 GLU 30 + HB2 GLU 30 OK 80 80 - 100 Peak 704 from cnoeabs.peaks (2.06, 1.96, 29.32 ppm; 2.50 A): 1 out of 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 4 84 5 - 3.2-8.6 QE MET 11 - HB2 GLN 27 far 0 83 0 - 7.8-28.6 Violated in 0 structures by 0.00 A. Peak 705 from cnoeabs.peaks (2.35, 1.96, 29.32 ppm; 3.69 A): 3 out of 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 poor 16 82 45 42 2.0-10.2 10724/10791=14...(10) HG2 GLN 27 - HB2 GLU 30 poor 9 84 25 43 3.5-10.5 10724/10791=14...(10) HG3 GLU 30 - HB2 GLN 27 far 8 81 10 - 4.2-10.5 Violated in 0 structures by 0.00 A. Peak 706 from cnoeabs.peaks (2.36, 1.96, 29.32 ppm; 3.66 A): 3 out of 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 poor 15 84 45 40 2.0-10.2 10724/10791=14...(9) HG2 GLN 27 - HB2 GLU 30 poor 9 82 25 42 3.5-10.5 10724/10791=14...(10) HG3 GLU 30 - HB2 GLN 27 far 7 65 10 - 4.2-10.5 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 6 assignments used, quality = 1.00: * H ALA 28 + HB2 GLN 27 OK 100 100 100 100 1.8-3.9 6298/1.8=99, 4.6=90...(28) H ALA 28 + HB2 GLU 30 OK 67 84 80 100 3.5-6.5 6304/10791=79, ~10742=46...(24) H LYS 19 - HB2 GLU 30 far 0 59 0 - 6.0-20.7 H LYS 19 - HB2 GLN 27 far 0 78 0 - 8.2-17.1 H ALA 21 - HB2 GLN 27 far 0 85 0 - 8.5-14.8 H ALA 21 - HB2 GLU 30 far 0 65 0 - 9.2-19.6 Violated in 0 structures by 0.00 A. Peak 710 from cnoeabs.peaks (8.39, 2.06, 29.32 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.6 6272=100, 6271/1.8=88...(14) H LYS 26 - HB3 GLN 27 far 0 87 0 - 6.1-7.7 H LYS 24 - HB3 GLN 27 far 0 85 0 - 6.9-12.8 H ASP 35 - HB3 GLN 27 far 0 100 0 - 8.8-17.6 Violated in 17 structures by 0.20 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 2.3-2.9 3.0=100 HA ALA 29 - HB3 GLN 27 far 0 92 0 - 4.0-8.1 HA ALA 28 - HB3 GLN 27 far 0 99 0 - 4.1-5.9 HA LYS 26 - HB3 GLN 27 far 0 71 0 - 4.6-6.6 HA LYS 19 - HB3 GLN 27 far 0 76 0 - 5.7-19.3 HA GLU 30 - HB3 GLN 27 far 0 87 0 - 5.9-9.6 HA LEU 22 - HB3 GLN 27 far 0 73 0 - 8.6-16.8 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 5 98 5 - 3.2-8.6 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 - 3.4-8.9 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 - 3.4-8.9 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 1.8-3.7 6298=100, 700/3.0=82...(28) H ALA 21 - HB3 GLN 27 far 0 85 0 - 8.1-15.6 H LYS 19 - HB3 GLN 27 far 0 78 0 - 8.2-17.7 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 8 assignments used, quality = 1.00: * H GLN 27 + HG2 GLN 27 OK 100 100 100 100 1.8-4.6 6271/3.0=76, 6272/3.0=70...(17) H GLN 27 + HG3 GLN 27 OK 98 98 100 100 1.9-4.3 6271/3.0=76, 6272/3.0=70...(15) H LYS 26 - HG3 GLN 27 poor 17 83 20 - 3.7-8.2 H LYS 26 - HG2 GLN 27 far 9 87 10 - 4.1-8.7 H LYS 24 - HG2 GLN 27 far 0 85 0 - 5.3-12.1 H LYS 24 - HG3 GLN 27 far 0 81 0 - 6.8-13.3 H ASP 35 - HG2 GLN 27 far 0 100 0 - 8.2-15.1 H ASP 35 - HG3 GLN 27 far 0 98 0 - 8.7-15.8 Violated in 2 structures by 0.01 A. Peak 720 from cnoeabs.peaks (4.24, 2.35, 33.67 ppm; 3.58 A): 4 out of 17 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.3-3.9 3.7=90, 697/1.8=38...(14) HA GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.7-4.2 3.7=90, 696/1.8=38...(14) HA ALA 28 + HG2 GLN 27 OK 33 99 35 96 3.8-6.5 ~10762=24, 2.1/10724=23...(21) HA ALA 28 + HG3 GLN 27 OK 28 97 30 95 3.9-6.6 ~10762=24, ~10723=23...(21) HA SER 124 - HG2 GLN 127 poor 17 85 20 - 3.6-6.0 HA ALA 29 - HG2 GLN 27 poor 15 92 25 63 3.1-8.7 10738/10764=28...(12) HA ALA 29 - HG3 GLN 27 poor 12 88 25 56 3.0-9.7 ~10788=17...(13) HA LYS 26 - HG2 GLN 27 far 11 71 15 - 4.1-7.1 HA GLU 30 - HG3 GLN 27 far 4 83 5 - 4.4-11.3 HA LYS 26 - HG3 GLN 27 far 0 67 0 - 4.6-6.8 HA GLU 30 - HG2 GLN 27 far 0 87 0 - 5.0-11.1 HA LYS 19 - HG2 GLN 27 far 0 76 0 - 6.5-20.9 HA SER 51 - HG2 GLN 127 far 0 49 0 - 7.4-9.1 HA LYS 19 - HG3 GLN 27 far 0 72 0 - 7.8-19.8 HA LEU 22 - HG2 GLN 27 far 0 73 0 - 8.2-16.7 HA LEU 22 - HG3 GLN 27 far 0 69 0 - 8.8-17.9 HA ALA 34 - HG2 GLN 27 far 0 85 0 - 9.9-16.9 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 6 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 - HG2 GLN 27 poor 20 98 20 - 3.5-10.5 HB2 GLU 30 - HG3 GLN 27 poor 10 95 40 27 2.0-10.2 10791/10724=9, 709/4.9=8...(8) HG LEU 53 - HG2 GLN 127 far 0 45 0 - 5.5-9.2 HB3 LEU 53 - HG2 GLN 127 far 0 45 0 - 5.6-8.1 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 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 98 98 100 100 2.2-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 85 85 100 100 2.4-3.0 3.0=100 HB2 GLU 128 - HG2 GLN 127 far 0 64 0 - 6.7-8.0 QE MET 11 - HG3 GLN 27 far 0 78 0 - 9.3-30.8 HG3 GLN 134 - HG2 GLN 127 far 0 62 0 - 9.4-13.5 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 4 assignments used, quality = 1.00: * HE21 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.1-3.6 3.5=100 HE21 GLN 68 - HG3 GLN 27 far 0 96 0 - 8.1-30.9 HE21 GLN 68 - HG2 GLN 27 far 0 99 0 - 8.2-30.3 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 3.4-4.1 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 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 727 from cnoeabs.peaks (8.33, 2.35, 33.67 ppm; 5.28 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 28 + HG2 GLN 27 OK 100 100 100 100 1.9-4.8 4.9=100 H ALA 28 + HG3 GLN 27 OK 98 98 100 100 1.9-5.3 4.9=100 H LEU 49 - HG2 GLN 127 far 6 56 10 - 6.1-8.9 H ALA 21 - HG2 GLN 27 far 0 85 0 - 8.5-17.1 H ALA 21 - HG3 GLN 27 far 0 81 0 - 9.2-16.1 H LYS 19 - HG2 GLN 27 far 0 78 0 - 9.2-19.2 H GLU 44 - HG2 GLN 127 far 0 84 0 - 9.9-12.1 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 8 assignments used, quality = 1.00: * H GLN 27 + HG3 GLN 27 OK 100 100 100 100 1.9-4.3 6271/3.0=76, 6272/3.0=70...(15) H GLN 27 + HG2 GLN 27 OK 98 98 100 100 1.8-4.6 6271/3.0=76, 6272/3.0=70...(17) H LYS 26 - HG3 GLN 27 poor 17 87 20 - 3.7-8.2 H LYS 26 - HG2 GLN 27 far 8 83 10 - 4.1-8.7 H LYS 24 - HG2 GLN 27 far 0 81 0 - 5.3-12.1 H LYS 24 - HG3 GLN 27 far 0 85 0 - 6.8-13.3 H ASP 35 - HG2 GLN 27 far 0 98 0 - 8.2-15.1 H ASP 35 - HG3 GLN 27 far 0 100 0 - 8.7-15.8 Violated in 2 structures by 0.01 A. Peak 729 from cnoeabs.peaks (4.24, 2.36, 33.67 ppm; 3.57 A): 4 out of 17 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.7-4.2 3.7=89, 696/1.8=38...(14) HA GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.3-3.9 3.7=89, 697/1.8=38...(14) HA ALA 28 + HG2 GLN 27 OK 32 97 35 95 3.8-6.5 ~10762=24, ~10723=23...(21) HA ALA 28 + HG3 GLN 27 OK 28 99 30 95 3.9-6.6 ~10762=24, ~10723=23...(21) HA SER 124 - HG2 GLN 127 poor 17 84 20 - 3.6-6.0 HA ALA 29 - HG2 GLN 27 poor 14 88 25 64 3.1-8.7 10738/10764=29...(12) HA ALA 29 - HG3 GLN 27 poor 13 92 25 56 3.0-9.7 ~10788=17...(13) HA LYS 26 - HG2 GLN 27 far 10 67 15 - 4.1-7.1 HA GLU 30 - HG3 GLN 27 far 4 87 5 - 4.4-11.3 HA LYS 26 - HG3 GLN 27 far 0 71 0 - 4.6-6.8 HA GLU 30 - HG2 GLN 27 far 0 83 0 - 5.0-11.1 HA LYS 19 - HG2 GLN 27 far 0 72 0 - 6.5-20.9 HA SER 51 - HG2 GLN 127 far 0 48 0 - 7.4-9.1 HA LYS 19 - HG3 GLN 27 far 0 76 0 - 7.8-19.8 HA LEU 22 - HG2 GLN 27 far 0 69 0 - 8.2-16.7 HA LEU 22 - HG3 GLN 27 far 0 73 0 - 8.8-17.9 HA ALA 34 - HG2 GLN 27 far 0 81 0 - 9.9-16.9 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 6 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 - HG2 GLN 27 poor 19 95 20 - 3.5-10.5 HB2 GLU 30 - HG3 GLN 27 poor 12 98 40 30 2.0-10.2 10791/10724=10...(9) HG LEU 53 - HG2 GLN 127 far 0 44 0 - 5.5-9.2 HB3 LEU 53 - HG2 GLN 127 far 0 44 0 - 5.6-8.1 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 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 98 98 100 100 2.4-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 83 83 100 100 2.4-3.0 3.0=100 HB2 GLU 128 - HG2 GLN 127 far 0 63 0 - 6.7-8.0 QE MET 11 - HG3 GLN 27 far 0 83 0 - 9.3-30.8 HG3 GLN 134 - HG2 GLN 127 far 0 61 0 - 9.4-13.5 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 4 assignments used, quality = 1.00: * HE21 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.1-3.6 3.5=100 HE21 GLN 68 - HG3 GLN 27 far 0 99 0 - 8.1-30.9 HE21 GLN 68 - HG2 GLN 27 far 0 96 0 - 8.2-30.3 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 3.4-4.1 3.5=100 H THR 54 - HG2 GLN 127 far 0 72 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 736 from cnoeabs.peaks (8.33, 2.36, 33.67 ppm; 5.27 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 28 + HG3 GLN 27 OK 100 100 100 100 1.9-5.3 4.9=100 H ALA 28 + HG2 GLN 27 OK 98 98 100 100 1.9-4.8 4.9=100 H LEU 49 - HG2 GLN 127 far 5 55 10 - 6.1-8.9 H ALA 21 - HG2 GLN 27 far 0 81 0 - 8.5-17.1 H ALA 21 - HG3 GLN 27 far 0 85 0 - 9.2-16.1 H LYS 19 - HG2 GLN 27 far 0 74 0 - 9.2-19.2 H GLU 44 - HG2 GLN 127 far 0 82 0 - 9.9-12.1 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 9 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 71 93 80 96 4.7-6.0 4.6/6310=40...(21) H ALA 21 - HA ALA 28 far 0 85 0 - 6.4-17.9 H ALA 21 - HA ALA 29 far 0 74 0 - 7.5-19.4 H LYS 19 - HA ALA 28 far 0 78 0 - 8.3-18.8 H LYS 19 - HA ALA 29 far 0 68 0 - 8.7-21.6 H GLY 17 - HA ALA 29 far 0 90 0 - 9.2-24.2 H LEU 69 - HA ALA 29 far 0 53 0 - 9.4-21.2 H GLY 17 - HA ALA 28 far 0 99 0 - 10.0-23.7 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 15 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 - 3.7-4.4 HG3 LYS 31 - HA ALA 29 far 0 90 0 - 3.9-9.1 QB ALA 28 - HA ALA 29 far 0 93 0 - 4.0-5.1 HG3 LYS 26 - HA ALA 28 far 0 100 0 - 4.2-8.9 HG3 LYS 26 - HA ALA 29 far 0 93 0 - 4.2-12.7 HG2 LYS 24 - HA ALA 28 far 0 100 0 - 7.0-14.6 HG2 LYS 19 - HA ALA 29 far 0 74 0 - 7.1-19.9 QB ALA 16 - HA ALA 29 far 0 70 0 - 7.4-21.9 HG2 LYS 19 - HA ALA 28 far 0 85 0 - 7.7-18.4 HG3 LYS 31 - HA ALA 28 far 0 99 0 - 8.0-12.0 QB ALA 16 - HA ALA 28 far 0 81 0 - 8.5-21.4 HG2 LYS 36 - HA ALA 29 far 0 92 0 - 8.5-13.6 QB ALA 15 - HA ALA 29 far 0 93 0 - 8.8-24.0 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 10 assignments used, quality = 0.99: H ALA 29 + HA ALA 29 OK 93 93 100 100 2.3-2.9 2.9=99, 6311/2.1=47...(14) * H ALA 29 + HA ALA 28 OK 73 100 100 73 2.1-3.5 3.6=55, 6309/2.1=23...(6) H GLU 30 + HA ALA 29 OK 71 83 100 86 2.7-3.5 3.6=55, 6316/2.1=28...(13) H LYS 31 - HA ALA 29 far 12 81 15 - 3.4-6.5 H GLU 30 - HA ALA 28 far 9 93 10 - 3.0-5.1 H ARG 23 - HA ALA 28 far 0 100 0 - 4.8-15.9 H LYS 31 - HA ALA 28 far 0 92 0 - 5.0-8.7 H SER 33 - HA ALA 29 far 0 80 0 - 5.3-8.0 H ARG 23 - HA ALA 29 far 0 92 0 - 7.7-18.1 H SER 33 - HA ALA 28 far 0 90 0 - 7.8-12.1 Violated in 0 structures by 0.00 A. Peak 741 from cnoeabs.peaks (8.33, 1.38, 19.08 ppm; 2.79 A): 4 out of 20 assignments used, quality = 1.00: * H ALA 28 + QB ALA 28 OK 100 100 100 100 2.0-2.9 6304=100, 6303/2.1=37...(14) H ALA 110 + QB ALA 110 OK 62 66 100 93 2.0-2.9 2.9=86, 7572/2.1=18...(11) H GLY 111 + QB ALA 110 OK 49 71 90 77 2.6-3.7 3.7=42, 7577/2.1=26...(10) H ALA 110 + QB ALA 109 OK 23 42 90 59 2.0-3.7 3.7=42, 7570/2.1=13...(7) H GLY 111 - QB ALA 109 poor 20 46 80 53 2.4-4.6 7578=15, 3.0/10117=12...(9) H GLY 17 - QB ALA 15 far 10 99 10 - 3.4-5.8 H LYS 19 - QB ALA 15 far 4 77 5 - 3.4-9.7 H GLY 111 - QB ALA 108 far 4 71 5 - 3.4-7.6 H ALA 110 - QB ALA 108 far 3 66 5 - 2.8-6.1 H ALA 28 - QB ALA 29 far 0 100 0 - 4.5-6.0 H LYS 19 - QB ALA 28 far 0 78 0 - 5.4-15.9 H ALA 21 - QB ALA 29 far 0 84 0 - 6.4-17.8 H ALA 21 - QB ALA 15 far 0 84 0 - 6.5-11.4 H ALA 21 - QB ALA 28 far 0 85 0 - 6.8-15.6 H LEU 69 - QB ALA 29 far 0 62 0 - 7.1-19.4 H TYR 72 - QB ALA 29 far 0 99 0 - 7.7-17.3 H LYS 19 - QB ALA 29 far 0 77 0 - 8.2-18.9 H GLY 17 - QB ALA 29 far 0 98 0 - 8.3-21.8 H GLY 17 - QB ALA 28 far 0 99 0 - 9.0-20.1 H LEU 49 - QB ALA 29 far 0 72 0 - 9.7-24.6 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 20 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 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 99 0 - 3.8-4.9 HA GLU 30 - QB ALA 29 far 0 95 0 - 3.8-4.3 HA ALA 29 - QB ALA 28 far 0 98 0 - 4.0-5.1 HA GLU 30 - QB ALA 28 far 0 96 0 - 4.2-5.2 HA LYS 19 - QB ALA 28 far 0 60 0 - 4.2-16.4 HA LYS 19 - QB ALA 15 far 0 59 0 - 4.7-11.8 HA SER 99 - QB ALA 108 far 0 80 0 - 4.8-12.7 HA GLN 27 - QB ALA 29 far 0 99 0 - 5.3-8.0 HA HIS 67 - QB ALA 29 far 0 82 0 - 6.8-21.2 HA ALA 34 - QB ALA 29 far 0 94 0 - 7.2-10.3 HA LYS 19 - QB ALA 29 far 0 59 0 - 7.3-18.3 HB3 SER 38 - QB ALA 29 far 0 91 0 - 7.4-15.4 HA SER 99 - QB ALA 110 far 0 81 0 - 8.0-17.0 HA SER 99 - QB ALA 109 far 0 53 0 - 8.0-12.7 HA ALA 29 - QB ALA 15 far 0 98 0 - 8.8-24.0 HA GLN 27 - QB ALA 15 far 0 99 0 - 8.8-20.5 HA ALA 34 - QB ALA 15 far 0 94 0 - 9.2-28.2 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 18 assignments used, quality = 1.00: H ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-2.9 2.9=100 * H ALA 29 + QB ALA 28 OK 91 100 100 91 1.8-3.7 3.7=58, 6310/2.1=29...(12) H GLU 30 + QB ALA 28 OK 85 93 100 91 2.1-3.5 6316=45, 6318/10791=42...(11) H GLU 30 + QB ALA 29 OK 82 92 100 89 2.9-3.7 3.7=59, 6315/2.1=29...(11) H LYS 31 - QB ALA 28 poor 18 92 20 - 3.3-6.1 H SER 107 - QB ALA 108 far 9 91 10 - 3.9-4.8 H LYS 31 - QB ALA 29 far 0 91 0 - 4.4-6.3 H SER 107 - QB ALA 109 far 0 63 0 - 4.7-7.8 H ARG 23 - QB ALA 28 far 0 100 0 - 4.9-14.5 H SER 107 - QB ALA 110 far 0 91 0 - 5.1-10.3 H SER 33 - QB ALA 29 far 0 89 0 - 5.2-7.3 H ARG 23 - QB ALA 29 far 0 100 0 - 6.1-16.4 H SER 33 - QB ALA 28 far 0 90 0 - 7.7-10.2 H LYS 31 - QB ALA 15 far 0 91 0 - 7.9-21.8 H SER 33 - QB ALA 15 far 0 90 0 - 8.4-24.8 H ARG 23 - QB ALA 15 far 0 100 0 - 9.1-15.0 H LEU 123 - QB ALA 108 far 0 94 0 - 9.5-16.5 H GLU 30 - QB ALA 15 far 0 93 0 - 9.7-23.9 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 10 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 81 93 100 87 2.7-3.5 3.6=56, 6316/2.1=28...(13) H ALA 29 + HA ALA 28 OK 68 93 100 73 2.1-3.5 3.6=56, 6309/2.1=23...(6) H LYS 31 - HA ALA 29 far 14 92 15 - 3.4-6.5 H GLU 30 - HA ALA 28 far 8 83 10 - 3.0-5.1 H ARG 23 - HA ALA 28 far 0 92 0 - 4.8-15.9 H LYS 31 - HA ALA 28 far 0 81 0 - 5.0-8.7 H SER 33 - HA ALA 29 far 0 90 0 - 5.3-8.0 H ARG 23 - HA ALA 29 far 0 100 0 - 7.7-18.1 H SER 33 - HA ALA 28 far 0 80 0 - 7.8-12.1 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 15 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 - 3.7-4.4 HG3 LYS 31 - HA ALA 29 far 0 97 0 - 3.9-9.1 QB ALA 28 - HA ALA 29 far 0 100 0 - 4.0-5.1 HG3 LYS 26 - HA ALA 28 far 0 93 0 - 4.2-8.9 HG3 LYS 26 - HA ALA 29 far 0 100 0 - 4.2-12.7 HG2 LYS 24 - HA ALA 28 far 0 93 0 - 7.0-14.6 HG2 LYS 19 - HA ALA 29 far 0 90 0 - 7.1-19.9 QB ALA 16 - HA ALA 29 far 0 73 0 - 7.4-21.9 HG2 LYS 19 - HA ALA 28 far 0 80 0 - 7.7-18.4 HG3 LYS 31 - HA ALA 28 far 0 88 0 - 8.0-12.0 QB ALA 16 - HA ALA 28 far 0 63 0 - 8.5-21.4 HG2 LYS 36 - HA ALA 29 far 0 100 0 - 8.5-13.6 QB ALA 15 - HA ALA 29 far 0 100 0 - 8.8-24.0 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 8 assignments used, quality = 1.00: H ALA 29 + HA ALA 29 OK 93 93 100 100 2.3-2.9 2.9=100 * H GLU 30 + HA ALA 29 OK 93 100 100 93 2.7-3.5 3.6=67, 6316/2.1=35...(13) H ALA 29 + HA ALA 28 OK 67 83 100 81 2.1-3.5 3.6=67, 6309/2.1=23...(5) H LYS 31 - HA ALA 29 poor 15 60 25 - 3.4-6.5 H GLU 30 - HA ALA 28 far 14 93 15 - 3.0-5.1 H ARG 23 - HA ALA 28 far 0 78 0 - 4.8-15.9 H LYS 31 - HA ALA 28 far 0 51 0 - 5.0-8.7 H ARG 23 - HA ALA 29 far 0 89 0 - 7.7-18.1 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 18 assignments used, quality = 1.00: * H ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-2.9 2.9=100 H ALA 29 + QB ALA 28 OK 91 100 100 91 1.8-3.7 3.7=58, 6310/2.1=29...(12) H GLU 30 + QB ALA 28 OK 84 92 100 91 2.1-3.5 6316=45, 6318/10791=43...(11) H GLU 30 + QB ALA 29 OK 83 93 100 89 2.9-3.7 3.7=59, 6315/2.1=29...(11) H LYS 31 - QB ALA 28 poor 18 91 20 - 3.3-6.1 H SER 107 - QB ALA 108 far 9 89 10 - 3.9-4.8 H LYS 31 - QB ALA 29 far 0 92 0 - 4.4-6.3 H SER 107 - QB ALA 109 far 0 59 0 - 4.7-7.8 H ARG 23 - QB ALA 28 far 0 100 0 - 4.9-14.5 H SER 107 - QB ALA 110 far 0 91 0 - 5.1-10.3 H SER 33 - QB ALA 29 far 0 90 0 - 5.2-7.3 H ARG 23 - QB ALA 29 far 0 100 0 - 6.1-16.4 H SER 33 - QB ALA 28 far 0 89 0 - 7.7-10.2 H LYS 31 - QB ALA 15 far 0 91 0 - 7.9-21.8 H SER 33 - QB ALA 15 far 0 89 0 - 8.4-24.8 H ARG 23 - QB ALA 15 far 0 100 0 - 9.1-15.0 H LEU 123 - QB ALA 108 far 0 93 0 - 9.5-16.5 H GLU 30 - QB ALA 15 far 0 92 0 - 9.7-23.9 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 19 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 HB THR 25 - QB ALA 29 far 0 65 0 - 3.6-11.4 HA ALA 28 - QB ALA 29 far 0 98 0 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 91 0 - 3.8-4.9 HA GLU 30 - QB ALA 29 far 0 100 0 - 3.8-4.3 HA ALA 29 - QB ALA 28 far 0 100 0 - 4.0-5.1 HA GLU 30 - QB ALA 28 far 0 100 0 - 4.2-5.2 HB THR 25 - QB ALA 28 far 0 64 0 - 4.7-9.6 HA SER 99 - QB ALA 108 far 0 93 0 - 4.8-12.7 HA GLN 27 - QB ALA 29 far 0 92 0 - 5.3-8.0 HA HIS 67 - QB ALA 29 far 0 97 0 - 6.8-21.2 HA ALA 34 - QB ALA 29 far 0 100 0 - 7.2-10.3 HB3 SER 38 - QB ALA 29 far 0 99 0 - 7.4-15.4 HA SER 99 - QB ALA 110 far 0 95 0 - 8.0-17.0 HA SER 99 - QB ALA 109 far 0 62 0 - 8.0-12.7 HA ALA 29 - QB ALA 15 far 0 100 0 - 8.8-24.0 HA GLN 27 - QB ALA 15 far 0 91 0 - 8.8-20.5 HA ALA 34 - QB ALA 15 far 0 99 0 - 9.2-28.2 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 17 assignments used, quality = 1.00: H GLU 30 + QB ALA 28 OK 94 100 100 94 2.1-3.5 6316=50, 6318/10791=49...(12) H ALA 29 + QB ALA 29 OK 93 93 100 100 2.1-2.9 2.9=100 * H GLU 30 + QB ALA 29 OK 91 100 100 91 2.9-3.7 3.7=62, 6315/2.1=33...(11) H ALA 29 + QB ALA 28 OK 84 92 100 91 1.8-3.7 3.7=61, 4.6/6304=30...(12) H LYS 31 - QB ALA 28 poor 12 59 20 - 3.3-6.1 H SER 107 - QB ALA 108 far 6 59 10 - 3.9-4.8 H LYS 31 - QB ALA 29 far 0 60 0 - 4.4-6.3 H SER 107 - QB ALA 109 far 0 36 0 - 4.7-7.8 H ARG 23 - QB ALA 28 far 0 88 0 - 4.9-14.5 H SER 107 - QB ALA 110 far 0 60 0 - 5.1-10.3 H ARG 23 - QB ALA 29 far 0 89 0 - 6.1-16.4 H SER 99 - QB ALA 108 far 0 56 0 - 7.1-14.6 H LYS 31 - QB ALA 15 far 0 59 0 - 7.9-21.8 H ARG 23 - QB ALA 15 far 0 88 0 - 9.1-15.0 H LEU 123 - QB ALA 108 far 0 98 0 - 9.5-16.5 H GLU 30 - QB ALA 15 far 0 100 0 - 9.7-23.9 H GLU 40 - QB ALA 29 far 0 87 0 - 10.0-19.4 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 2.7-2.9 3.0=100 H LYS 31 + HA GLU 30 OK 60 60 100 100 2.6-3.6 3.6=100 H ALA 29 - HA GLN 27 poor 14 34 40 - 3.5-7.1 H GLU 30 - HA GLN 27 far 4 41 10 - 3.9-7.2 H ALA 29 - HA GLU 30 far 0 93 0 - 4.8-5.4 H ARG 23 - HA GLN 27 far 0 32 0 - 7.5-12.7 H ARG 23 - HA GLU 30 far 0 89 0 - 9.2-19.9 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 2.4-3.0 3.0=100 HB2 GLN 27 + HA GLN 27 OK 38 38 100 100 2.3-3.0 3.0=100 HB2 GLU 30 - HA GLN 27 far 2 41 5 - 4.2-9.0 HB2 GLN 27 - HA GLU 30 far 0 98 0 - 6.9-10.5 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 5 assignments used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 GLU 30 - HA GLN 27 far 0 41 0 - 5.4-10.3 HB VAL 20 - HA GLU 30 far 0 87 0 - 8.7-22.5 QE MET 11 - HA GLN 27 far 0 28 0 - 8.8-29.2 HB VAL 20 - HA GLN 27 far 0 31 0 - 8.8-18.3 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 2.0-4.1 3.8=100 HG2 GLU 30 - HA GLN 27 far 2 41 5 - 4.8-10.0 Violated in 1 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 2.1-3.7 3.8=100 HG2 GLN 27 + HA GLN 27 OK 28 28 100 100 2.3-3.9 3.7=100 HG3 GLN 27 + HA GLN 27 OK 21 21 100 100 2.7-4.2 3.7=100 HG2 GLN 27 - HA GLU 30 poor 16 81 20 - 5.0-11.1 HG3 GLN 27 - HA GLU 30 poor 8 65 40 31 4.4-11.3 10792/10740=8...(11) HG3 GLU 30 - HA GLN 27 far 6 41 15 - 4.1-9.2 Violated in 0 structures by 0.00 A. Peak 759 from cnoeabs.peaks (8.23, 4.22, 56.42 ppm; 2.88 A): 2 out of 9 assignments used, quality = 0.96: * H LYS 31 + HA GLU 30 OK 91 100 100 91 2.6-3.6 3.6=53, 6327/3.0=37...(10) H GLU 30 + HA GLU 30 OK 59 60 100 98 2.7-2.9 3.0=93, 6318/3.0=21...(10) H ALA 29 - HA GLN 27 far 3 34 10 - 3.5-7.1 H LYS 31 - HA GLN 27 far 0 41 0 - 4.0-9.2 H ALA 29 - HA GLU 30 far 0 92 0 - 4.8-5.4 H SER 33 - HA GLU 30 far 0 100 0 - 7.4-9.2 H ARG 23 - HA GLN 27 far 0 36 0 - 7.5-12.7 H SER 33 - HA GLN 27 far 0 41 0 - 7.9-13.6 H ARG 23 - HA GLU 30 far 0 96 0 - 9.2-19.9 Violated in 0 structures by 0.00 A. Peak 760 from cnoeabs.peaks (8.26, 1.96, 29.50 ppm; 3.76 A): 3 out of 8 assignments used, quality = 1.00: * H GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.1-2.9 6318=100, 6319/1.8=89...(19) H LYS 31 + HB2 GLU 30 OK 57 60 100 95 2.0-3.9 4.6=53, 4.6/6318=44...(14) H ALA 29 + HB2 GLU 30 OK 27 93 30 98 4.5-5.3 3.7/10791=53...(22) H ALA 29 - HB2 GLN 27 poor 17 73 30 76 3.0-8.0 10788/1.8=42...(15) H LYS 31 - HB2 GLN 27 far 4 44 10 - 3.4-8.9 H GLU 30 - HB2 GLN 27 far 4 84 5 - 4.5-8.2 H ARG 23 - HB2 GLN 27 far 0 69 0 - 5.6-13.2 H ARG 23 - HB2 GLU 30 far 0 89 0 - 7.6-18.0 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 2.4-3.0 3.0=100 HA GLN 27 + HB2 GLN 27 OK 67 67 100 100 2.3-3.0 3.0=100 HA ALA 29 - HB2 GLN 27 far 4 83 5 - 4.0-8.8 HA ALA 28 - HB2 GLN 27 far 4 76 5 - 3.9-5.9 HA GLN 27 - HB2 GLU 30 far 0 87 0 - 4.2-9.0 HA ALA 28 - HB2 GLU 30 far 0 96 0 - 4.4-6.7 HA ALA 29 - HB2 GLU 30 far 0 100 0 - 4.8-5.8 HB THR 25 - HB2 GLN 27 far 0 55 0 - 5.5-10.0 HA GLU 30 - HB2 GLN 27 far 0 84 0 - 6.9-10.5 HB THR 25 - HB2 GLU 30 far 0 73 0 - 7.0-13.8 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 5 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 - 5.7-10.2 HB VAL 20 - HB2 GLU 30 far 0 87 0 - 6.3-20.1 HB VAL 20 - HB2 GLN 27 far 0 67 0 - 7.5-17.6 QE MET 11 - HB2 GLN 27 far 0 61 0 - 7.8-28.6 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 2.2-3.0 3.0=100 HG2 GLU 30 - HB2 GLN 27 far 13 84 15 - 3.9-10.4 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 - 3.5-10.5 HG3 GLN 27 - HB2 GLU 30 poor 7 65 40 28 2.0-10.2 10792/10791=10...(8) HG3 GLU 30 - HB2 GLN 27 far 4 84 5 - 4.2-10.5 Violated in 0 structures by 0.00 A. Peak 766 from cnoeabs.peaks (8.23, 1.96, 29.50 ppm; 3.74 A): 3 out of 10 assignments used, quality = 1.00: * H LYS 31 + HB2 GLU 30 OK 100 100 100 100 2.0-3.9 6326=100, 6327/1.8=83...(15) H GLU 30 + HB2 GLU 30 OK 60 60 100 100 2.1-2.9 4.0=82, 6319/1.8=41...(18) H ALA 29 + HB2 GLU 30 OK 27 92 30 98 4.5-5.3 3.7/10791=52...(22) H ALA 29 - HB2 GLN 27 poor 16 72 30 75 3.0-8.0 10788/1.8=40...(13) H LYS 31 - HB2 GLN 27 far 8 84 10 - 3.4-8.9 H GLU 30 - HB2 GLN 27 far 2 44 5 - 4.5-8.2 H ARG 23 - HB2 GLN 27 far 0 76 0 - 5.6-13.2 H SER 33 - HB2 GLN 27 far 0 84 0 - 7.3-14.0 H ARG 23 - HB2 GLU 30 far 0 96 0 - 7.6-18.0 H SER 33 - HB2 GLU 30 far 0 100 0 - 8.7-10.1 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 3.4-3.7 6319=100, 6318/1.8=93...(14) H LYS 31 + HB3 GLU 30 OK 55 60 100 92 2.0-3.6 4.6=50, 4.6/6319=40...(10) H ALA 29 - HB3 GLU 30 far 0 93 0 - 6.0-6.5 H ARG 23 - HB3 GLU 30 far 0 89 0 - 6.6-18.7 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 2.5-2.8 3.0=100 HA GLN 27 - HB3 GLU 30 far 0 87 0 - 5.4-10.3 HA ALA 29 - HB3 GLU 30 far 0 100 0 - 5.9-6.5 HA ALA 28 - HB3 GLU 30 far 0 96 0 - 5.9-7.5 HB THR 25 - HB3 GLU 30 far 0 73 0 - 7.6-14.8 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 4 assignments used, quality = 1.00: * HB2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 - HB3 PRO 56 far 0 26 0 - 4.0-8.4 HB2 GLN 27 - HB3 GLU 30 far 0 98 0 - 5.7-10.2 HB2 PRO 58 - HB3 PRO 56 far 0 42 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 770 from cnoeabs.peaks (2.02, 2.02, 29.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 30 + HB3 GLU 30 OK 100 100 - 100 HB3 PRO 56 + HB3 PRO 56 OK 32 32 - 100 Peak 771 from cnoeabs.peaks (2.29, 2.02, 29.50 ppm; 3.64 A): 1 out of 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 poor 11 37 30 - 2.9-9.7 HG2 GLN 61 - HB3 PRO 56 far 0 42 0 - 8.3-11.6 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 2.9-3.0 3.0=100 HG3 GLN 27 - HB3 GLU 30 poor 5 65 35 21 3.6-11.9 10792/10742=8, 721/1.8=3...(7) HG2 GLN 27 - HB3 GLU 30 far 4 81 5 - 4.8-12.0 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 2.0-3.6 6327=100, 6326/1.8=77...(10) H GLU 30 + HB3 GLU 30 OK 59 60 100 99 3.4-3.7 4.0=76, 6318/1.8=43...(13) H ALA 29 - HB3 GLU 30 far 0 92 0 - 6.0-6.5 H ARG 23 - HB3 GLU 30 far 0 96 0 - 6.6-18.7 H SER 33 - HB3 GLU 30 far 0 100 0 - 8.7-9.8 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 = 1.00: * H GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.8-3.8 6320=100, 6321/1.8=80...(12) H LEU 96 + HG2 GLU 97 OK 52 63 90 91 3.5-6.8 7330/4.6=42...(17) H LYS 31 + HG2 GLU 30 OK 49 60 85 96 2.0-5.1 3.6/775=56, 4.9=52...(8) H SER 99 - HG2 GLU 97 far 5 35 15 - 4.5-6.6 H ALA 29 - HG2 GLU 30 far 0 93 0 - 4.9-6.3 H VAL 126 - HG2 GLU 97 far 0 37 0 - 7.8-10.3 H ARG 23 - HG2 GLU 30 far 0 89 0 - 8.1-19.9 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 2.0-4.1 3.8=100 HA SER 94 + HG2 GLU 97 OK 61 68 95 94 1.9-5.9 3117/2.9=56...(13) HA GLN 27 - HG2 GLU 30 far 0 87 0 - 4.8-10.0 HA ALA 28 - HG2 GLU 30 far 0 96 0 - 4.9-7.8 HA HIS 67 - HG2 GLU 97 far 0 67 0 - 5.3-9.3 HA ALA 29 - HG2 GLU 30 far 0 100 0 - 5.4-7.0 HB THR 25 - HG2 GLU 30 far 0 73 0 - 5.9-14.6 HA SER 99 - HG2 GLU 97 far 0 67 0 - 7.1-9.1 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 2.2-3.0 3.0=100 HB2 GLN 27 - HG2 GLU 30 far 5 98 5 - 3.9-10.4 HB2 LYS 95 - HG2 GLU 97 far 0 53 0 - 5.6-9.2 HB3 LYS 95 - HG2 GLU 97 far 0 58 0 - 5.9-9.3 HB3 ARG 90 - HG2 GLU 97 far 0 69 0 - 7.2-12.6 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 6 assignments used, quality = 1.00: * HB3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.4-2.8 3.0=100 HB VAL 20 - HG2 GLU 30 far 0 87 0 - 7.4-22.6 QE MET 11 - HG2 GLU 97 far 0 50 0 - 7.8-44.8 HG2 ARG 90 - HG2 GLU 97 far 0 70 0 - 8.6-12.2 HB ILE 129 - HG2 GLU 97 far 0 57 0 - 8.9-11.9 HB3 GLU 91 - HG2 GLU 97 far 0 62 0 - 9.8-14.0 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 7 65 10 - 2.5-11.1 HG2 GLN 27 - HG2 GLU 30 far 0 81 0 - 3.7-11.2 HG2 GLU 102 - HG2 GLU 97 far 0 39 0 - 7.7-12.6 HB VAL 77 - HG2 GLU 97 far 0 70 0 - 9.3-12.4 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 5 assignments used, quality = 0.98: * H LYS 31 + HG2 GLU 30 OK 95 100 95 100 2.0-5.1 6328=76, 6327/3.0=73...(9) H GLU 30 + HG2 GLU 30 OK 60 60 100 100 2.8-3.8 3.0/775=70, 5.1=55...(12) H ALA 29 - HG2 GLU 30 far 9 92 10 - 4.9-6.3 H SER 33 - HG2 GLU 30 far 0 100 0 - 8.0-11.0 H ARG 23 - HG2 GLU 30 far 0 96 0 - 8.1-19.9 Violated in 0 structures by 0.00 A. Peak 781 from cnoeabs.peaks (8.26, 2.33, 35.22 ppm; 4.13 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 30 + HG3 GLU 30 OK 100 100 100 100 1.9-3.5 6321=91, 6320/1.8=87...(14) H LYS 31 + HG3 GLU 30 OK 56 60 95 98 1.8-5.2 3.6/782=63, 4.9=59...(12) H GLU 40 + HG2 GLU 40 OK 52 52 100 100 1.9-4.5 4.8=66, 6462/1.8=60...(12) H ALA 29 + HG3 GLU 30 OK 49 93 55 96 3.7-5.9 4.6/6321=44...(18) H LEU 43 - HG2 GLU 40 far 0 41 0 - 5.8-6.6 H ARG 23 - HG3 GLU 30 far 0 89 0 - 8.5-19.4 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 7 assignments used, quality = 0.99: * HA GLU 30 + HG3 GLU 30 OK 99 100 100 99 2.1-3.7 3.8=79, 3.0/6321=50...(16) HA ALA 28 - HG3 GLU 30 far 10 96 10 - 3.6-6.5 HB3 SER 38 - HG2 GLU 40 far 7 67 10 - 3.3-7.2 HA ALA 29 - HG3 GLU 30 far 5 100 5 - 4.3-6.6 HA GLN 27 - HG3 GLU 30 far 4 87 5 - 4.1-9.2 HB THR 25 - HG3 GLU 30 far 0 73 0 - 7.3-14.6 HA ALA 34 - HG2 GLU 40 far 0 68 0 - 7.9-15.1 Violated in 5 structures by 0.04 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 10 98 10 - 4.2-10.5 HB ILE 37 - HG2 GLU 40 far 0 61 0 - 7.7-11.2 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 6 assignments used, quality = 1.00: * HB3 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLU 40 + HG2 GLU 40 OK 55 55 100 100 2.3-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 0 67 0 - 4.9-8.7 HB2 GLN 134 - HG2 GLU 40 far 0 68 0 - 8.2-13.5 HB VAL 20 - HG3 GLU 30 far 0 87 0 - 8.4-21.2 HG2 PRO 81 - HG2 GLU 40 far 0 48 0 - 9.8-15.9 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): 3 out of 5 assignments used, quality = 0.99: * H LYS 31 + HG3 GLU 30 OK 95 100 95 100 1.8-5.2 6327/3.0=74, 6326/3.0=72...(12) H GLU 30 + HG3 GLU 30 OK 60 60 100 100 1.9-3.5 3.0/782=73, 5.1=56...(13) H ALA 29 + HG3 GLU 30 OK 49 92 55 97 3.7-5.9 4.6/6321=44...(19) H SER 33 - HG3 GLU 30 far 0 100 0 - 8.0-11.3 H ARG 23 - HG3 GLU 30 far 0 96 0 - 8.5-19.4 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 18 assignments used, quality = 1.00: * H LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-2.9 3.0=100 H GLU 30 - HA LYS 31 far 0 60 0 - 4.9-6.1 H SER 33 - HA LYS 36 far 0 58 0 - 5.1-7.9 H SER 33 - HA LYS 19 far 0 89 0 - 5.2-21.3 H ARG 23 - HA LYS 19 far 0 81 0 - 5.4-9.6 H ALA 29 - HA LYS 26 far 0 77 0 - 6.0-9.8 H SER 33 - HA LYS 26 far 0 89 0 - 6.1-15.8 H LYS 31 - HA LYS 26 far 0 89 0 - 6.2-12.9 H SER 33 - HA LYS 31 far 0 100 0 - 6.3-6.6 H GLU 30 - HA LYS 19 far 0 48 0 - 6.4-19.2 H GLU 30 - HA LYS 26 far 0 48 0 - 6.5-10.6 H ARG 23 - HA LYS 31 far 0 96 0 - 6.9-20.8 H ARG 23 - HA LYS 26 far 0 82 0 - 7.2-9.8 H ALA 29 - HA LYS 31 far 0 92 0 - 7.2-9.1 H ALA 29 - HA LYS 19 far 0 77 0 - 7.3-20.3 H LYS 31 - HA LYS 19 far 0 89 0 - 7.5-18.4 H ALA 29 - HA LYS 36 far 0 48 0 - 8.8-15.8 H GLU 30 - HA LYS 36 far 0 28 0 - 9.9-14.2 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 2.5-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 87 87 100 100 2.3-3.0 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 - 4.0-13.4 HB2 ARG 23 - HA LYS 19 far 0 81 0 - 4.8-11.1 HB2 LYS 24 - HA LYS 19 far 0 88 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 99 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 89 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 88 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 82 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 87 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 96 0 - 6.8-19.6 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 99 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 87 0 - 8.4-17.8 HB2 LYS 31 - HA LYS 36 far 0 58 0 - 8.7-13.3 HB2 LYS 39 - HA LYS 36 far 0 44 0 - 8.8-11.5 HB2 LEU 43 - HA LYS 36 far 0 47 0 - 9.7-14.9 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 23 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-2.7 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 2.3-2.6 3.0=100 HB2 LYS 36 + HA LYS 36 OK 57 57 100 100 2.7-3.0 3.0=100 HB3 ARG 23 - HA LYS 26 far 4 83 5 - 4.3-10.0 HB3 LYS 26 - HA LYS 31 far 0 99 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 89 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 99 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 89 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 89 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 89 0 - 5.7-18.7 HB3 ARG 23 - HA LYS 19 far 0 83 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 89 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 56 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 87 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 87 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 97 0 - 7.8-20.0 HB3 LYS 19 - HA LYS 31 far 0 100 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 87 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 31 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 88 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 100 0 - 9.3-20.9 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 24 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-4.2 3.8=100 HG3 LYS 19 + HA LYS 19 OK 89 89 100 100 3.8-4.2 4.2=80, 6152/3.0=44...(40) HG2 LYS 26 + HA LYS 26 OK 85 85 100 100 3.4-4.2 4.0=86, 6252/2.9=62...(30) HG3 LYS 36 + HA LYS 36 OK 34 34 100 99 3.5-3.8 4.1=81, ~6394=39...(27) HG13 ILE 32 - HA LYS 31 far 15 100 15 - 4.5-6.4 HG2 LYS 31 - HA LYS 19 far 4 89 5 - 3.6-20.1 QB ALA 34 - HA LYS 19 far 3 61 5 - 3.0-20.7 HG2 LYS 31 - HA LYS 26 far 0 89 0 - 5.2-13.1 HG13 ILE 32 - HA LYS 26 far 0 89 0 - 5.4-12.6 HG2 LYS 26 - HA LYS 31 far 0 98 0 - 5.5-15.2 HG3 LYS 24 - HA LYS 19 far 0 88 0 - 5.7-13.9 QB ALA 34 - HA LYS 36 far 0 37 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 62 0 - 6.5-18.5 HG3 LYS 24 - HA LYS 26 far 0 88 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 89 0 - 7.5-22.0 HG3 LYS 36 - HA LYS 31 far 0 71 0 - 7.6-11.7 HG3 LYS 24 - HA LYS 31 far 0 100 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 89 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 54 0 - 8.0-20.6 HG2 LYS 31 - HA LYS 36 far 0 58 0 - 8.1-14.6 HG13 ILE 32 - HA LYS 36 far 0 58 0 - 8.4-11.2 QB ALA 34 - HA LYS 31 far 0 76 0 - 8.5-9.9 HG2 LYS 26 - HA LYS 19 far 0 85 0 - 8.6-19.4 HG3 LYS 19 - HA LYS 31 far 0 100 0 - 9.3-20.3 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 36 assignments used, quality = 1.00: * HG3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.1-3.7 3.8=95, 1.8/822=32...(22) HG3 LYS 26 + HA LYS 26 OK 85 85 100 100 2.5-3.8 4.0=79, 6253/2.9=60...(31) HG2 LYS 19 + HA LYS 19 OK 54 55 100 99 3.5-3.7 4.2=73, 6151/3.0=29...(39) HG2 LYS 36 + HA LYS 36 OK 53 54 100 100 2.9-3.8 4.1=75, 6394/3.0=58...(29) QB ALA 28 - HA LYS 26 far 9 87 10 - 4.5-7.6 HG3 LYS 31 - HA LYS 19 far 4 89 5 - 3.8-19.8 QB ALA 28 - HA LYS 19 far 4 87 5 - 4.2-16.4 HG2 LYS 24 - HA LYS 19 far 4 83 5 - 4.2-13.3 QB ALA 34 - HA LYS 19 far 2 50 5 - 3.0-20.7 HG3 LYS 31 - HA LYS 26 far 0 89 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 86 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 54 0 - 4.9-11.6 QB ALA 29 - HA LYS 26 far 0 84 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 79 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 93 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 99 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 97 0 - 5.8-7.6 QB ALA 34 - HA LYS 36 far 0 30 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 50 0 - 6.5-18.5 HG3 LYS 26 - HA LYS 31 far 0 98 0 - 6.6-15.0 HG2 LYS 24 - HA LYS 31 far 0 97 0 - 6.9-20.8 HG2 LYS 24 - HA LYS 26 far 0 83 0 - 7.2-9.6 QB ALA 29 - HA LYS 19 far 0 84 0 - 7.3-18.3 QB ALA 15 - HA LYS 31 far 0 99 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 79 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 52 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 86 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 49 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 85 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 97 0 - 8.4-12.7 QB ALA 34 - HA LYS 31 far 0 63 0 - 8.5-9.9 HG2 LYS 19 - HA LYS 26 far 0 55 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 54 0 - 8.8-20.2 HG2 LYS 19 - HA LYS 31 far 0 68 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 56 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 58 0 - 9.7-14.2 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 36 assignments used, quality = 1.00: HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.8 5.2=64, ~6331=33...(34) * HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.9 5.2=64, ~6331=33...(34) HD3 LYS 26 + HA LYS 26 OK 88 89 100 100 2.5-5.2 5.0=74, ~6253=39...(32) HD2 LYS 26 + HA LYS 26 OK 76 89 85 100 3.8-5.5 5.0=74, ~6253=39...(32) HD3 LYS 19 + HA LYS 19 OK 73 81 90 99 3.9-5.5 5.2=66, ~6151=27...(41) HD2 LYS 19 + HA LYS 19 OK 69 81 85 100 3.6-5.5 5.2=66, 10696/11871=30...(42) HD3 LYS 36 + HA LYS 36 OK 54 54 100 100 4.1-5.2 5.3=62, 1031/3.0=39...(30) HD2 LYS 36 + HA LYS 36 OK 54 54 100 100 4.2-5.0 5.3=62, 1031/3.0=39...(30) HD3 LYS 26 - HA LYS 31 far 15 100 15 - 5.0-16.1 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 3.8-16.5 HD3 LYS 31 - HA LYS 19 far 4 89 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 4 89 5 - 3.8-21.0 HD2 LYS 24 - HA LYS 19 far 0 89 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 89 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 96 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 89 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 98 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 89 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 89 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 58 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 96 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 58 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 58 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 58 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 89 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 98 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 82 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 89 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 85 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 89 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 46 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 82 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 85 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 44 0 - 9.8-13.7 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 36 assignments used, quality = 1.00: * HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.8 5.2=64, ~6331=34...(34) HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.9 5.2=64, ~6331=34...(34) HD3 LYS 26 + HA LYS 26 OK 89 89 100 100 2.5-5.2 5.0=74, ~6253=39...(32) HD2 LYS 26 + HA LYS 26 OK 76 89 85 100 3.8-5.5 5.0=74, ~6253=39...(32) HD2 LYS 19 + HA LYS 19 OK 74 83 90 100 3.6-5.5 5.2=66, 10696/11871=31...(42) HD3 LYS 19 + HA LYS 19 OK 74 83 90 99 3.9-5.5 5.2=66, ~6151=27...(41) HD3 LYS 36 + HA LYS 36 OK 53 54 100 100 4.1-5.2 5.3=62, 1031/3.0=39...(30) HD2 LYS 36 + HA LYS 36 OK 53 54 100 100 4.2-5.0 5.3=62, 1031/3.0=39...(30) HD3 LYS 26 - HA LYS 31 far 15 100 15 - 5.0-16.1 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 3.8-16.5 HD3 LYS 31 - HA LYS 19 far 4 89 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 4 89 5 - 3.8-21.0 HD2 LYS 24 - HA LYS 19 far 0 89 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 89 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 97 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 89 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 97 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 89 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 89 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 58 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 97 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 58 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 58 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 58 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 89 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 97 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 83 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 89 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 84 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 89 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 44 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 83 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 84 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 46 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 798 from cnoeabs.peaks (8.14, 4.28, 56.44 ppm; 3.07 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 32 + HA LYS 31 OK 100 100 100 100 2.8-3.5 6342=100, 809/3.0=36...(9) H LEU 22 - HA LYS 19 far 0 86 0 - 4.6-7.9 H LEU 22 - HA LYS 31 far 0 99 0 - 6.1-21.2 H ILE 32 - HA LYS 19 far 0 89 0 - 7.2-20.5 H ILE 32 - HA LYS 26 far 0 89 0 - 7.4-13.7 H LEU 22 - HA LYS 26 far 0 86 0 - 7.7-11.1 H ALA 15 - HA LYS 19 far 0 89 0 - 8.1-14.1 H ILE 32 - HA LYS 36 far 0 58 0 - 8.4-10.7 Violated in 11 structures by 0.14 A. Peak 799 from cnoeabs.peaks (8.23, 1.74, 32.78 ppm; 3.07 A): 1 out of 20 assignments used, quality = 1.00: * H LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-3.6 6331=100, 6332/1.8=74...(53) H LYS 31 - HB2 LYS 26 far 5 96 5 - 3.9-13.4 H SER 33 - HB2 LYS 26 far 0 96 0 - 4.0-15.2 H GLU 30 - HB2 LYS 31 far 0 60 0 - 4.7-6.1 H GLU 30 - HB2 LYS 26 far 0 54 0 - 5.0-11.0 H GLU 30 - HB2 LYS 19 far 0 55 0 - 5.1-18.8 H ARG 23 - HB2 LYS 24 far 0 93 0 - 5.3-6.8 H ALA 29 - HB2 LYS 26 far 0 85 0 - 5.6-10.7 H SER 33 - HB2 LYS 19 far 0 97 0 - 5.7-20.6 H LYS 31 - HB2 LYS 19 far 0 97 0 - 5.8-17.9 H ALA 29 - HB2 LYS 31 far 0 92 0 - 5.9-8.9 H SER 33 - HB2 LYS 31 far 0 100 0 - 6.3-7.7 H ARG 23 - HB2 LYS 31 far 0 96 0 - 6.4-18.1 H ALA 29 - HB2 LYS 19 far 0 86 0 - 6.6-20.3 H ARG 23 - HB2 LYS 26 far 0 89 0 - 6.8-11.8 H ALA 29 - HB2 LYS 24 far 0 89 0 - 6.8-15.6 H LYS 31 - HB2 LYS 24 far 0 99 0 - 6.8-18.2 H ARG 23 - HB2 LYS 19 far 0 90 0 - 7.3-10.3 H GLU 30 - HB2 LYS 24 far 0 57 0 - 7.4-16.7 H SER 33 - HB2 LYS 24 far 0 99 0 - 7.5-22.1 Violated in 2 structures by 0.05 A. Peak 800 from cnoeabs.peaks (4.28, 1.74, 32.78 ppm; 3.34 A): 4 out of 41 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 26 + HB2 LYS 26 OK 93 93 100 100 2.3-3.0 3.0=100 HA LYS 19 + HB2 LYS 19 OK 93 93 100 100 2.3-2.4 3.0=100 HA THR 25 + HB2 LYS 24 OK 30 91 35 96 4.0-5.6 3.0/6232=50, ~6233=30...(18) HA LEU 22 - HB2 LYS 24 poor 19 96 20 - 4.2-8.1 HA LYS 26 - HB2 LYS 31 far 5 99 5 - 4.0-13.4 HA THR 25 - HB2 LYS 26 far 0 86 0 - 4.5-6.1 HA ARG 23 - HB2 LYS 31 far 0 98 0 - 4.6-15.9 HA ARG 23 - HB2 LYS 26 far 0 92 0 - 4.7-9.7 HA ARG 23 - HB2 LYS 24 far 0 96 0 - 4.9-6.1 HA ALA 16 - HB2 LYS 19 far 0 97 0 - 5.1-9.5 HA LYS 19 - HB2 LYS 24 far 0 95 0 - 5.2-14.4 HA THR 18 - HB2 LYS 19 far 0 86 0 - 5.3-6.2 HA LYS 31 - HB2 LYS 26 far 0 96 0 - 5.4-14.5 HA LYS 19 - HB2 LYS 31 far 0 97 0 - 5.5-17.5 HA LYS 26 - HB2 LYS 24 far 0 97 0 - 5.5-8.7 HA GLN 61 - HB2 LYS 24 far 0 98 0 - 5.8-38.1 HA ALA 15 - HB2 LYS 19 far 0 94 0 - 5.9-12.4 HA THR 25 - HB2 LYS 31 far 0 93 0 - 6.5-14.5 HA LEU 22 - HB2 LYS 31 far 0 98 0 - 6.5-20.9 HA LYS 26 - HB2 LYS 19 far 0 94 0 - 6.8-16.3 HA ARG 23 - HB2 LYS 19 far 0 93 0 - 6.9-11.3 HA ALA 16 - HB2 LYS 31 far 0 100 0 - 7.1-22.6 HA ALA 21 - HB2 LYS 19 far 0 89 0 - 7.4-8.7 HA ALA 12 - HB2 LYS 19 far 0 94 0 - 7.5-21.5 HA LYS 31 - HB2 LYS 24 far 0 99 0 - 7.7-19.5 HA LYS 31 - HB2 LYS 19 far 0 97 0 - 8.0-20.2 HA THR 18 - HB2 LYS 31 far 0 92 0 - 8.0-21.4 HA THR 18 - HB2 LYS 24 far 0 89 0 - 8.2-14.2 HA ALA 21 - HB2 LYS 24 far 0 92 0 - 8.2-10.8 HA SER 74 - HB2 LYS 19 far 0 88 0 - 8.2-31.6 HA GLN 61 - HB2 LYS 26 far 0 95 0 - 8.3-37.0 HA LYS 19 - HB2 LYS 26 far 0 91 0 - 8.4-17.8 HA ALA 15 - HB2 LYS 31 far 0 99 0 - 8.5-24.7 HA LYS 36 - HB2 LYS 31 far 0 100 0 - 8.7-13.3 HA LEU 22 - HB2 LYS 26 far 0 92 0 - 8.7-14.1 HA LYS 36 - HB2 LYS 39 far 0 35 0 - 8.8-11.5 HA ALA 21 - HB2 LYS 31 far 0 95 0 - 9.1-21.0 HA LEU 22 - HB2 LYS 19 far 0 93 0 - 9.3-11.5 HA ALA 21 - HB2 LYS 26 far 0 88 0 - 9.7-15.5 HA THR 25 - HB2 LYS 19 far 0 88 0 - 9.8-17.2 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 96 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 96 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 90 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 99 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 97 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 97 0 - 5.8-10.8 HB3 LYS 31 - HB2 LYS 24 far 0 99 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 94 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 94 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 97 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 92 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 97 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 96 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 95 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 95 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 98 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 95 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 96 0 - 9.0-24.5 Violated in 0 structures by 0.00 A. Peak 803 from cnoeabs.peaks (1.44, 1.74, 32.78 ppm; 3.51 A): 5 out of 27 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.7-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 28 100 35 80 3.8-6.2 6345/809=46...(11) HG2 LYS 31 - HB2 LYS 26 far 10 96 10 - 3.3-13.1 HG13 ILE 32 - HB2 LYS 26 far 10 96 10 - 4.2-12.5 HG2 LYS 26 - HB2 LYS 31 far 5 98 5 - 4.2-12.5 QB ALA 34 - HB2 LYS 19 far 4 70 5 - 2.9-20.2 QB ALA 34 - HB2 LYS 26 far 0 69 0 - 5.0-17.9 HG2 LYS 26 - HB2 LYS 24 far 0 96 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 95 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 97 0 - 5.8-19.4 QB ALA 34 - HB2 LYS 24 far 0 73 0 - 6.3-23.8 HG13 ILE 32 - HB2 LYS 19 far 0 97 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 71 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 96 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 96 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 64 0 - 8.4-20.7 QB ALA 34 - HB2 LYS 31 far 0 76 0 - 8.5-10.8 HG3 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.6-17.4 QB ALA 34 - HB2 LYS 39 far 0 22 0 - 8.7-13.1 HG3 LYS 19 - HB2 LYS 24 far 0 99 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 93 0 - 9.3-19.5 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 41 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.3-2.9 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 2.4-2.9 3.0=100 QB ALA 28 - HB2 LYS 31 far 10 99 10 - 4.2-8.2 HG3 LYS 31 - HB2 LYS 26 far 10 96 10 - 4.2-14.0 QB ALA 28 - HB2 LYS 24 far 5 97 5 - 3.9-12.5 HG3 LYS 26 - HB2 LYS 24 far 5 96 5 - 3.5-10.3 QB ALA 28 - HB2 LYS 19 far 5 95 5 - 3.2-16.4 QB ALA 15 - HB2 LYS 19 far 5 94 5 - 3.6-11.3 QB ALA 16 - HB2 LYS 31 far 5 93 5 - 3.9-19.7 QB ALA 16 - HB2 LYS 19 far 4 88 5 - 4.4-8.5 QB ALA 34 - HB2 LYS 19 far 3 57 5 - 2.9-20.2 HB2 LEU 42 - HB2 LYS 39 far 0 31 0 - 4.9-6.2 QB ALA 34 - HB2 LYS 26 far 0 56 0 - 5.0-17.9 HG3 LYS 26 - HB2 LYS 31 far 0 98 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 94 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 97 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 99 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 90 0 - 6.0-10.8 QB ALA 29 - HB2 LYS 26 far 0 91 0 - 6.3-10.0 QB ALA 34 - HB2 LYS 24 far 0 60 0 - 6.3-23.8 QB ALA 29 - HB2 LYS 31 far 0 97 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 97 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 92 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 95 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 93 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 99 0 - 6.9-19.1 HG2 LYS 19 - HB2 LYS 26 far 0 61 0 - 8.3-18.2 QB ALA 34 - HB2 LYS 31 far 0 63 0 - 8.5-10.8 HG2 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 65 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 68 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 32 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 91 0 - 9.2-17.0 HG3 LYS 26 - HB2 LYS 19 far 0 93 0 - 9.4-18.8 QB ALA 15 - HB2 LYS 26 far 0 93 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 97 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 86 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 97 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 91 0 - 9.9-20.9 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 38 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 2.0-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.0-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-4.1 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 1.9-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 27 27 100 100 2.0-4.0 3.6=100 HG LEU 43 - HB2 LYS 39 poor 20 26 75 - 4.0-5.7 HD3 LYS 26 - HB2 LYS 31 far 15 100 15 - 2.6-13.4 HD2 LYS 26 - HB2 LYS 24 far 5 99 5 - 3.8-12.9 HD3 LYS 26 - HB2 LYS 24 far 5 99 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 31 lone 2 100 25 8 2.4-13.9 6347/809=4, 6335/6331=2 HD2 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 97 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.6-14.8 HD2 LYS 19 - HB2 LYS 31 far 0 96 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 96 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 98 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 92 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 93 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 92 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 93 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 93 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 98 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 89 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 806 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 4.35 A): 10 out of 38 assignments used, quality = 1.00: * HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.0 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 1.9-4.1 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 1.9-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 92 92 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 92 92 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 20 27 75 99 4.0-5.7 ~11901=46...(21) HD3 LYS 26 - HB2 LYS 31 far 15 100 15 - 2.6-13.4 HD2 LYS 26 - HB2 LYS 24 far 5 99 5 - 3.8-12.9 HD3 LYS 26 - HB2 LYS 24 far 5 99 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.0-20.8 HD2 LYS 26 - HB2 LYS 31 lone 2 100 25 8 2.4-13.9 6347/809=4, 6335/6331=2 HD2 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 97 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.6-14.8 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 97 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 91 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 93 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 91 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 93 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 94 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 97 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 90 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.1-20.0 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 37 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.0-4.4 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 96 96 100 100 2.8-5.4 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-5.1 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.1-4.6 5.1=100 HE3 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 19 far 15 97 15 - 6.6-21.4 HE2 LYS 31 - HB2 LYS 26 far 14 96 15 - 6.3-15.1 HE3 LYS 31 - HB2 LYS 26 far 14 96 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.1-22.2 HE3 LYS 24 - HB2 LYS 19 far 10 97 10 - 6.2-16.4 HE2 LYS 24 - HB2 LYS 19 far 9 93 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 poor 6 99 25 25 3.2-10.9 9587/11151=19 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 99 5 - 7.6-13.8 HE3 LYS 24 - HB2 LYS 26 far 5 96 5 - 6.0-13.1 HE2 LYS 24 - HB2 LYS 26 far 5 92 5 - 7.5-13.7 HE2 LYS 26 - HB2 LYS 24 lone 4 99 30 14 3.9-12.6 9587/11151=9 HE2 LYS 26 - HB2 LYS 31 lone 3 100 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 96 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 98 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 35 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 94 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 97 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 94 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 23 0 - 9.8-11.7 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 36 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.0-4.4 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-5.1 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 93 93 100 100 2.1-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 93 93 100 100 2.8-5.4 5.1=100 HE2 LYS 31 - HB2 LYS 19 far 14 97 15 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 26 far 14 96 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 26 far 14 96 15 - 6.3-15.1 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-19.9 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.1-22.2 HE3 LYS 24 - HB2 LYS 19 far 10 95 10 - 6.2-16.4 HE2 LYS 24 - HB2 LYS 19 far 9 90 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 poor 6 99 25 25 3.2-10.9 9587/11151=19 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 98 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 97 5 - 7.6-13.8 HE3 LYS 24 - HB2 LYS 26 far 5 94 5 - 6.0-13.1 HE2 LYS 24 - HB2 LYS 26 far 4 89 5 - 7.5-13.7 HE2 LYS 26 - HB2 LYS 24 lone 4 99 30 14 3.9-12.6 9587/11151=9 HE2 LYS 26 - HB2 LYS 31 lone 3 100 35 9 4.5-15.1 6337/6331=2 HE3 LYS 26 - HB2 LYS 31 lone 2 100 20 8 3.2-14.2 6338/6331=1 HE3 LYS 36 - HB2 LYS 26 far 0 94 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 96 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 34 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 91 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 95 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 92 0 - 9.4-19.7 Violated in 0 structures by 0.00 A. Peak 809 from cnoeabs.peaks (8.14, 1.74, 32.78 ppm; 3.83 A): 1 out of 13 assignments used, quality = 0.99: * H ILE 32 + HB2 LYS 31 OK 99 100 100 99 3.0-4.2 6342/3.0=81, 6343=77...(14) H ILE 32 - HB2 LYS 26 far 0 96 0 - 5.4-13.7 H LEU 22 - HB2 LYS 31 far 0 99 0 - 6.0-19.1 H LEU 22 - HB2 LYS 24 far 0 97 0 - 6.1-8.1 H ALA 15 - HB2 LYS 19 far 0 97 0 - 6.3-13.3 H LEU 22 - HB2 LYS 19 far 0 94 0 - 6.6-8.7 H LEU 22 - HB2 LYS 26 far 0 93 0 - 7.8-12.8 H ILE 32 - HB2 LYS 24 far 0 99 0 - 8.0-19.4 H ILE 32 - HB2 LYS 19 far 0 97 0 - 8.1-19.6 H VAL 133 - HB2 LYS 39 far 0 34 0 - 8.2-9.3 H ALA 15 - HB2 LYS 31 far 0 100 0 - 9.5-26.4 H ASP 71 - HB2 LYS 19 far 0 97 0 - 9.5-30.7 H ASP 71 - HB2 LYS 24 far 0 99 0 - 9.9-32.3 Violated in 12 structures by 0.13 A. Peak 810 from cnoeabs.peaks (8.23, 1.81, 32.78 ppm; 3.08 A): 1 out of 24 assignments used, quality = 1.00: * H LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.4-3.6 6332=100, 6331/1.8=77...(51) H SER 33 - HB2 LYS 36 far 10 98 10 - 2.4-5.9 H SER 33 - HB3 LYS 26 far 0 96 0 - 4.0-15.3 H GLU 30 - HB3 LYS 26 far 0 54 0 - 4.0-11.5 H LYS 31 - HB3 LYS 26 far 0 96 0 - 4.0-11.7 H ALA 29 - HB3 LYS 26 far 0 85 0 - 4.3-10.1 H GLU 30 - HB3 LYS 31 far 0 60 0 - 4.4-6.4 H ARG 23 - HB3 LYS 24 far 0 94 0 - 4.5-6.8 H ARG 23 - HB3 LYS 31 far 0 96 0 - 5.4-19.2 H SER 33 - HB3 LYS 19 far 0 100 0 - 5.8-19.5 H GLU 30 - HB3 LYS 19 far 0 60 0 - 5.8-17.3 H ARG 23 - HB3 LYS 19 far 0 96 0 - 6.3-8.8 H LYS 31 - HB3 LYS 19 far 0 100 0 - 6.4-16.6 H ALA 29 - HB3 LYS 31 far 0 92 0 - 6.6-9.6 H ARG 23 - HB3 LYS 26 far 0 89 0 - 6.6-11.7 H ALA 29 - HB3 LYS 19 far 0 92 0 - 6.7-18.8 H ALA 29 - HB3 LYS 24 far 0 90 0 - 6.8-15.6 H SER 33 - HB3 LYS 31 far 0 100 0 - 7.0-8.1 H GLU 30 - HB3 LYS 24 far 0 59 0 - 8.0-16.6 H ALA 29 - HB2 LYS 36 far 0 87 0 - 8.4-13.4 H LYS 31 - HB2 LYS 36 far 0 98 0 - 8.4-10.7 H LYS 31 - HB3 LYS 24 far 0 100 0 - 8.6-19.6 H GLU 30 - HB2 LYS 36 far 0 56 0 - 8.7-12.1 H SER 33 - HB3 LYS 24 far 0 100 0 - 8.8-23.1 Violated in 1 structures by 0.02 A. Peak 811 from cnoeabs.peaks (4.28, 1.81, 32.78 ppm; 3.30 A): 5 out of 46 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 98 98 100 100 2.7-3.0 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 2.3-2.6 3.0=100 HA PHE 87 + HB2 LYS 86 OK 41 61 70 95 3.8-5.5 2.9/7156=36, 2724/1.8=33...(17) HA ARG 23 - HB3 LYS 31 far 5 98 5 - 3.9-17.1 HA LEU 22 - HB3 LYS 24 far 5 97 5 - 3.4-7.5 HA THR 25 - HB3 LYS 24 far 0 92 0 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 0 97 0 - 4.4-6.5 HA ARG 23 - HB3 LYS 26 far 0 92 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 96 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 98 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 100 0 - 4.9-10.4 HA ARG 84 - HB2 LYS 86 far 0 34 0 - 5.2-6.7 HA LYS 19 - HB3 LYS 24 far 0 96 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 99 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 98 0 - 5.5-22.2 HA THR 25 - HB3 LYS 26 far 0 86 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 97 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 98 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 92 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 99 0 - 5.9-14.9 HA GLN 61 - HB3 LYS 24 far 0 99 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 100 0 - 6.8-22.8 HA ALA 21 - HB3 LYS 19 far 0 94 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 92 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 99 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 93 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 98 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 99 0 - 7.5-13.6 HA ALA 21 - HB3 LYS 31 far 0 95 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 100 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 91 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 93 0 - 8.1-15.3 HA SER 74 - HB2 LYS 86 far 0 58 0 - 8.2-11.8 HA SER 74 - HB3 LYS 19 far 0 93 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 98 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 99 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 90 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 93 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 94 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 100 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 89 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 92 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 88 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 95 0 - 9.9-37.8 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 27 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 HB2 LYS 31 - HB3 LYS 26 far 5 96 5 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 98 0 - 3.4-9.6 HB ILE 80 - HB2 LYS 86 far 0 66 0 - 3.4-5.1 HG3 ARG 90 - HB2 LYS 86 far 0 62 0 - 4.3-7.2 HB2 LYS 26 - HB3 LYS 31 far 0 99 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 96 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 96 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 89 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 95 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 94 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 98 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 99 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 100 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 98 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 99 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 94 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.0-24.5 HB3 LEU 70 - HB3 LYS 24 far 0 59 0 - 9.6-37.2 HG13 ILE 129 - HB2 LYS 86 far 0 68 0 - 9.7-13.6 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): 6 out of 33 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.2-2.8 2.9=100 HG2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-2.6 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 66 66 100 100 2.6-2.8 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 48 48 100 100 2.5-2.9 3.0=100 HG13 ILE 32 - HB3 LYS 26 far 14 96 15 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 10 96 10 - 3.1-12.9 QB ALA 34 - HB3 LYS 19 far 4 76 5 - 2.0-20.6 HG2 LYS 26 - HB3 LYS 24 far 0 97 0 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 100 0 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 31 far 0 98 0 - 5.2-13.4 QB ALA 34 - HB3 LYS 26 far 0 69 0 - 5.4-16.7 HG13 ILE 32 - HB3 LYS 19 far 0 100 0 - 5.4-19.7 QB ALA 34 - HB2 LYS 36 far 0 71 0 - 5.5-6.5 HG2 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 98 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 98 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 95 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 95 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 99 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 74 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 100 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 71 0 - 8.7-13.8 QB ALA 34 - HB3 LYS 31 far 0 76 0 - 8.8-11.6 QB ALA 92 - HB2 LYS 86 far 0 61 0 - 8.9-9.9 HG3 LYS 36 - HB3 LYS 26 far 0 64 0 - 9.1-20.8 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 44 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 2.7-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.9-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.7-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 68 68 100 100 2.7-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 24 far 10 97 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 19 far 5 99 5 - 2.9-15.3 HG3 LYS 31 - HB3 LYS 26 far 5 96 5 - 3.9-13.1 QB ALA 28 - HB3 LYS 26 far 5 94 5 - 4.3-7.7 QB ALA 16 - HB3 LYS 31 far 5 93 5 - 3.9-19.7 QB ALA 34 - HB3 LYS 19 far 3 63 5 - 2.0-20.6 QB ALA 29 - HB2 LYS 36 far 0 94 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 99 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 98 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 93 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 99 0 - 5.0-11.5 HG2 LYS 24 - HB3 LYS 31 far 0 97 0 - 5.1-18.9 QB ALA 34 - HB3 LYS 26 far 0 56 0 - 5.4-16.7 QB ALA 34 - HB2 LYS 36 far 0 59 0 - 5.5-6.5 QB ALA 29 - HB3 LYS 26 far 0 91 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 98 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 99 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 97 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 96 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.3-20.4 QB ALA 34 - HB3 LYS 24 far 0 61 0 - 7.6-24.6 HG2 LYS 24 - HB3 LYS 26 far 0 90 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 68 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 98 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 89 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 67 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 95 0 - 8.6-19.4 QB ALA 34 - HB3 LYS 31 far 0 63 0 - 8.8-11.6 HG2 LYS 19 - HB3 LYS 26 far 0 61 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 93 0 - 9.0-23.3 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 98 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 86 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 92 0 - 9.6-12.5 HG2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.9-14.8 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 48 assignments used, quality = 1.00: * HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 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 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.2-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 95 96 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 95 96 100 100 2.9-3.9 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.2-3.5 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.6-3.7 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.3-19.1 HD3 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 0 96 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 43 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 96 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 68 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 98 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 98 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 98 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 43 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 92 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 98 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 98 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 89 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 94 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 92 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 94 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 89 0 - 9.8-19.8 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 48 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 96 97 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 96 97 100 100 2.9-3.9 3.9=100 HD2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.2-4.2 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.2-3.5 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.6-3.7 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.3-19.1 HD3 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 0 97 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 44 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 97 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 68 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 98 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 98 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 98 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 44 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 91 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 90 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 95 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 91 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 95 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 90 0 - 9.8-19.8 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 46 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 2.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.6-5.3 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 98 98 100 100 2.0-4.4 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.4 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.5-5.4 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 67 67 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 20 100 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 15 100 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 15 99 15 - 2.2-9.7 HE3 LYS 26 - HB3 LYS 31 far 10 100 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 100 10 - 6.0-15.4 HE3 LYS 24 - HB3 LYS 19 far 10 100 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 98 10 - 6.3-15.6 HE3 LYS 31 - HB2 LYS 36 far 10 98 10 - 6.7-12.2 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.4-20.0 HE2 LYS 26 - HB3 LYS 19 far 5 100 5 - 6.7-19.5 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.0-21.5 HE3 LYS 24 - HB3 LYS 31 far 5 100 5 - 7.5-21.6 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.4-20.0 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 19 - HB3 LYS 24 far 5 99 5 - 7.3-17.6 HE2 LYS 31 - HB2 LYS 36 far 5 98 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 5 98 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 98 5 - 6.2-21.1 HE3 LYS 24 - HB3 LYS 26 far 5 96 5 - 7.0-14.0 HE2 LYS 26 - HB3 LYS 24 lone 3 99 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 96 35 8 5.9-13.4 9008/10751=3, 10766/10898=3 HE3 LYS 31 - HB3 LYS 26 lone 2 96 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 74 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 92 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 98 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 94 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 39 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 94 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 46 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.6-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.0-4.4 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.5-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 94 94 100 100 2.0-5.4 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 3.2-4.6 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 65 65 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 20 100 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 15 100 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 15 100 15 - 2.2-9.7 HE3 LYS 26 - HB3 LYS 31 far 10 100 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 100 10 - 6.0-15.4 HE3 LYS 24 - HB3 LYS 19 far 10 99 10 - 5.9-15.4 HE3 LYS 31 - HB2 LYS 36 far 10 98 10 - 6.7-12.2 HE2 LYS 24 - HB3 LYS 19 far 10 96 10 - 6.3-15.6 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.4-20.0 HE2 LYS 26 - HB3 LYS 19 far 5 100 5 - 6.7-19.5 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.6-21.1 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.0-21.5 HE3 LYS 24 - HB3 LYS 31 far 5 99 5 - 7.5-21.6 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.4-20.0 HE3 LYS 26 - HB2 LYS 36 far 5 98 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 98 5 - 6.2-21.1 HE2 LYS 31 - HB2 LYS 36 far 5 98 5 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 5 97 5 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 26 far 5 94 5 - 7.0-14.0 HE2 LYS 26 - HB3 LYS 24 lone 3 100 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 96 35 8 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 96 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 96 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 66 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 89 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 98 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 92 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 34 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 94 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 99 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 91 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 100 100 100 100 4.2-4.6 6342/3.0=84, 809/1.8=78...(12) H PHE 87 + HB2 LYS 86 OK 42 43 100 99 2.7-3.7 4.6=64, 7157/1.8=49...(16) H ILE 32 - HB3 LYS 26 far 0 96 0 - 4.9-12.0 H LEU 22 - HB3 LYS 31 far 0 99 0 - 5.0-20.3 H LEU 22 - HB3 LYS 24 far 0 98 0 - 5.4-8.3 H LEU 22 - HB3 LYS 19 far 0 99 0 - 5.9-7.6 H ILE 32 - HB2 LYS 36 far 0 98 0 - 6.4-8.8 H GLU 91 - HB2 LYS 86 far 0 57 0 - 6.6-8.4 H ALA 15 - HB3 LYS 19 far 0 100 0 - 6.8-14.2 H ILE 32 - HB3 LYS 19 far 0 100 0 - 7.2-18.7 H LEU 22 - HB3 LYS 26 far 0 93 0 - 8.0-12.7 H ASP 71 - HB3 LYS 24 far 0 99 0 - 8.2-33.5 H ILE 32 - HB3 LYS 24 far 0 100 0 - 8.7-20.6 H VAL 133 - HB2 LYS 86 far 0 67 0 - 9.2-10.9 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 20 assignments used, quality = 1.00: * H LYS 31 + HG2 LYS 31 OK 100 100 100 100 3.1-5.0 5.0=100 H ARG 23 + HG3 LYS 24 OK 48 91 55 96 4.4-6.4 6211/6223=84, 832/1.8=34...(21) H GLU 30 - HG2 LYS 26 poor 13 43 30 - 2.8-12.8 H SER 33 - HG2 LYS 26 far 12 83 15 - 2.2-17.4 H ARG 23 - HG2 LYS 31 far 10 96 10 - 5.1-20.7 H GLU 30 - HG2 LYS 31 far 6 60 10 - 5.0-7.8 H ARG 23 - HG2 LYS 26 far 4 76 5 - 4.4-12.7 H LYS 31 - HG2 LYS 26 lone 4 83 30 15 2.9-13.1 4.7/831=5, 10802/932=3...(4) H ALA 29 - HG2 LYS 26 lone 3 71 40 11 3.0-11.5 934/932=3, 6339/831=1, 854/2.9=1 H SER 33 - HG2 LYS 31 far 0 100 0 - 6.1-8.5 H ALA 29 - HG2 LYS 31 far 0 92 0 - 6.4-10.5 H ARG 23 - HG3 LYS 19 far 0 92 0 - 7.0-9.8 H ALA 29 - HG3 LYS 24 far 0 87 0 - 7.1-17.2 H SER 33 - HG3 LYS 19 far 0 98 0 - 7.4-21.6 H LYS 31 - HG3 LYS 19 far 0 98 0 - 7.4-18.8 H GLU 30 - HG3 LYS 19 far 0 56 0 - 7.6-18.9 H LYS 31 - HG3 LYS 24 far 0 97 0 - 7.8-20.8 H GLU 30 - HG3 LYS 24 far 0 55 0 - 8.2-17.8 H ALA 29 - HG3 LYS 19 far 0 87 0 - 8.3-19.2 H SER 33 - HG3 LYS 24 far 0 97 0 - 9.0-24.5 Violated in 0 structures by 0.00 A. Peak 822 from cnoeabs.peaks (4.28, 1.44, 24.73 ppm; 5.78 A): 8 out of 41 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-4.2 3.8=100 HA LYS 19 + HG3 LYS 19 OK 94 94 100 100 3.8-4.2 4.2=100 HA LYS 26 + HG2 LYS 26 OK 80 80 100 100 3.4-4.2 4.0=100 HA LEU 22 + HG3 LYS 24 OK 78 94 95 87 3.8-7.1 ~1309=29, 375/821=24...(13) HA THR 18 + HG3 LYS 19 OK 74 87 85 100 4.2-6.9 226/4.9=75, ~10696=63...(21) HA ARG 23 + HG3 LYS 24 OK 70 94 75 99 5.0-7.0 424/6223=96, ~832=26...(16) HA THR 25 + HG2 LYS 26 OK 69 73 95 100 5.1-6.7 3.6/6252=91...(20) HA THR 25 + HG3 LYS 24 OK 44 88 50 100 5.9-7.1 ~6234=82, 3.0/6235=81...(24) HA ALA 16 - HG3 LYS 19 poor 20 98 20 - 2.8-10.1 HA ARG 23 - HG2 LYS 31 far 15 98 15 - 4.5-18.5 HA LYS 19 - HG3 LYS 24 far 14 93 15 - 5.7-13.9 HA LYS 31 - HG2 LYS 26 far 12 83 15 - 5.5-15.2 HA LYS 26 - HG2 LYS 31 far 10 99 10 - 5.2-13.1 HA LEU 22 - HG2 LYS 31 far 10 98 10 - 5.0-23.5 HA ARG 23 - HG2 LYS 26 far 8 79 10 - 2.4-10.5 HA ALA 16 - HG2 LYS 31 far 5 100 5 - 5.3-24.4 HA LYS 19 - HG2 LYS 31 far 5 97 5 - 3.6-20.1 HA ALA 15 - HG3 LYS 19 far 5 95 5 - 6.2-12.6 HA THR 25 - HG2 LYS 31 far 5 93 5 - 6.5-16.4 HA THR 18 - HG2 LYS 31 far 5 92 5 - 5.4-24.2 HA SER 74 - HG3 LYS 19 far 4 89 5 - 6.7-32.9 HA ALA 15 - HG2 LYS 31 far 0 99 0 - 6.7-26.2 HA ALA 12 - HG3 LYS 19 far 0 95 0 - 6.8-21.3 HA ALA 21 - HG3 LYS 19 far 0 90 0 - 6.8-8.2 HA ALA 21 - HG2 LYS 31 far 0 95 0 - 6.8-23.7 HA THR 18 - HG3 LYS 24 far 0 87 0 - 6.9-13.6 HA ARG 23 - HG3 LYS 19 far 0 94 0 - 7.0-10.2 HA GLN 61 - HG3 LYS 24 far 0 97 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 95 0 - 7.1-9.9 HA LEU 22 - HG2 LYS 26 far 0 79 0 - 7.3-15.0 HA ALA 21 - HG3 LYS 24 far 0 90 0 - 7.4-9.5 HA ALA 21 - HG2 LYS 26 far 0 74 0 - 7.6-16.6 HA LYS 31 - HG3 LYS 24 far 0 97 0 - 7.8-22.0 HA LYS 26 - HG3 LYS 19 far 0 95 0 - 8.0-16.1 HA LYS 36 - HG2 LYS 26 far 0 83 0 - 8.0-20.6 HA LYS 36 - HG2 LYS 31 far 0 100 0 - 8.1-14.6 HA LYS 19 - HG2 LYS 26 far 0 78 0 - 8.6-19.4 HA ALA 110 - HG3 LYS 24 far 0 95 0 - 9.0-50.5 HA LEU 22 - HG3 LYS 19 far 0 94 0 - 9.1-10.3 HA LYS 31 - HG3 LYS 19 far 0 98 0 - 9.3-20.3 HA GLN 61 - HG2 LYS 26 far 0 82 0 - 9.8-39.3 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 20 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.7-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.3-3.0 3.0=100 HB2 ARG 23 - HG2 LYS 31 far 14 96 15 - 5.0-19.9 HB2 LYS 26 - HG2 LYS 31 far 10 99 10 - 3.3-13.1 HB2 ARG 23 - HG3 LYS 19 far 9 92 10 - 5.6-9.7 HB2 ARG 23 - HG2 LYS 26 far 8 76 10 - 3.3-12.5 HB2 LYS 19 - HG2 LYS 31 far 5 99 5 - 5.8-19.4 HB2 LYS 26 - HG3 LYS 24 far 5 95 5 - 5.4-11.3 HB2 LYS 24 - HG2 LYS 26 far 4 82 5 - 5.1-11.3 HB2 LYS 31 - HG2 LYS 26 lone 3 83 30 10 4.2-12.5 809/831=6, 6331/821=2 HB2 ARG 23 - HG3 LYS 24 far 0 91 0 - 6.2-8.2 HB2 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 95 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 96 0 - 7.7-18.0 HB2 LYS 31 - HG3 LYS 19 far 0 98 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 97 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 81 0 - 9.3-19.5 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 25 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.2-2.5 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-2.8 2.9=100 HB3 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.2-2.6 3.0=100 HB ILE 32 - HG2 LYS 26 poor 19 81 25 94 4.2-14.8 10833/2.9=61, ~10767=32...(22) HB3 LYS 26 - HG2 LYS 31 far 10 99 10 - 3.1-12.9 HB3 ARG 23 - HG2 LYS 26 far 8 77 10 - 2.9-12.1 HB3 ARG 23 - HG2 LYS 31 far 5 97 5 - 4.3-19.5 HB3 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.2-13.4 HB3 LYS 24 - HG2 LYS 26 far 4 83 5 - 4.7-10.8 HB3 ARG 23 - HG3 LYS 24 far 0 92 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 100 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 96 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 97 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 93 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 99 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 100 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 97 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 95 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 82 0 - 7.1-19.6 HB3 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 98 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 83 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 98 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 96 0 - 8.6-17.8 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 37 assignments used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 92 92 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 79 79 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 64 64 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 26 far 8 81 10 - 3.2-8.8 QB ALA 16 - HG2 LYS 31 far 5 93 5 - 2.7-21.2 QB ALA 34 - HG3 LYS 19 far 0 59 0 - 3.6-22.1 QB ALA 16 - HG3 LYS 19 far 0 89 0 - 3.7-9.6 QB ALA 34 - HG2 LYS 26 far 0 46 0 - 3.9-17.1 QB ALA 29 - HG2 LYS 26 far 0 78 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 96 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 83 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 95 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 98 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 99 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 94 0 - 5.2-11.1 QB ALA 28 - HG3 LYS 24 far 0 95 0 - 5.3-14.6 HG2 LYS 24 - HG2 LYS 31 far 0 97 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 99 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 68 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 97 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 94 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 93 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 77 0 - 7.3-11.8 QB ALA 34 - HG3 LYS 24 far 0 58 0 - 7.3-25.7 HG2 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.6-15.4 QB ALA 34 - HG2 LYS 31 far 0 63 0 - 7.9-11.4 HG3 LYS 31 - HG3 LYS 19 far 0 98 0 - 8.0-19.1 HG2 LYS 24 - HG3 LYS 19 far 0 93 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 50 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 95 0 - 8.1-44.1 HG3 LYS 26 - HG3 LYS 19 far 0 94 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 63 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 78 0 - 9.0-22.2 QB ALA 16 - HG3 LYS 24 far 0 88 0 - 9.6-16.6 QB ALA 15 - HG3 LYS 24 far 0 95 0 - 9.9-18.6 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 33 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.6-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.4-3.0 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 2.3-2.9 2.9=100 HD3 LYS 26 - HG2 LYS 31 far 15 100 15 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 10 100 10 - 4.4-16.1 HD2 LYS 26 - HG3 LYS 24 far 10 97 10 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 5 97 5 - 3.7-12.6 HD3 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 83 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 79 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 96 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 98 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 83 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 79 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 98 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 83 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 96 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 98 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 76 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 91 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 98 0 - 9.9-15.8 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 33 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 93 93 100 100 2.4-3.0 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 2.3-2.9 2.9=100 HD3 LYS 26 - HG2 LYS 31 far 15 100 15 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 10 100 10 - 4.4-16.1 HD2 LYS 26 - HG3 LYS 24 far 10 97 10 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 5 97 5 - 3.7-12.6 HD3 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 83 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 78 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 97 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 83 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 78 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 98 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 83 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 97 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 77 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 92 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 98 0 - 9.9-15.8 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 34 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 2.0-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.2-4.2 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 94 94 100 100 2.1-4.0 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 2.3-4.2 3.6=100 HE2 LYS 26 - HG2 LYS 31 poor 20 100 20 - 6.0-16.7 HE2 LYS 31 - HG2 LYS 26 poor 17 83 20 - 6.5-14.2 HE3 LYS 26 - HG2 LYS 31 far 15 100 15 - 4.3-16.8 HE3 LYS 31 - HG3 LYS 19 far 10 97 10 - 6.7-20.3 HE2 LYS 26 - HG3 LYS 24 far 10 97 10 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 10 97 10 - 4.4-11.8 HE3 LYS 19 - HG2 LYS 31 far 5 100 5 - 7.0-20.9 HE3 LYS 24 - HG2 LYS 31 far 5 100 5 - 7.4-23.3 HE2 LYS 24 - HG2 LYS 31 far 5 98 5 - 7.0-23.0 HE2 LYS 31 - HG3 LYS 19 far 5 98 5 - 7.1-19.3 HE2 LYS 26 - HG3 LYS 19 far 5 97 5 - 6.4-20.1 HE2 LYS 31 - HG3 LYS 24 far 5 97 5 - 5.6-22.4 HE3 LYS 31 - HG3 LYS 24 far 5 97 5 - 5.9-22.5 HE3 LYS 24 - HG2 LYS 26 far 4 83 5 - 5.7-14.5 HE3 LYS 31 - HG2 LYS 26 far 4 83 5 - 7.4-14.5 HE2 LYS 24 - HG2 LYS 26 far 4 79 5 - 7.1-13.9 HE3 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 99 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 94 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 97 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 83 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 96 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 81 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 81 0 - 9.8-20.6 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 34 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 2.0-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.2-4.2 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 91 91 100 100 2.1-4.0 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 2.3-4.2 3.6=100 HE2 LYS 31 - HG2 LYS 26 poor 17 83 20 - 6.5-14.2 HE3 LYS 26 - HG2 LYS 31 far 15 100 15 - 4.3-16.8 HE3 LYS 31 - HG3 LYS 19 far 10 98 10 - 6.7-20.3 HE2 LYS 26 - HG3 LYS 24 far 10 97 10 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 10 97 10 - 4.4-11.8 HE3 LYS 19 - HG2 LYS 31 far 5 100 5 - 7.0-20.9 HE3 LYS 24 - HG2 LYS 31 far 5 99 5 - 7.4-23.3 HE2 LYS 26 - HG3 LYS 19 far 5 98 5 - 6.4-20.1 HE3 LYS 31 - HG3 LYS 24 far 5 97 5 - 5.9-22.5 HE2 LYS 31 - HG3 LYS 19 far 5 97 5 - 7.1-19.3 HE2 LYS 31 - HG3 LYS 24 far 5 97 5 - 5.6-22.4 HE2 LYS 24 - HG2 LYS 31 far 5 96 5 - 7.0-23.0 HE3 LYS 31 - HG2 LYS 26 far 4 83 5 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 26 far 4 81 5 - 5.7-14.5 HE2 LYS 24 - HG2 LYS 26 far 4 76 5 - 7.1-13.9 HE2 LYS 26 - HG2 LYS 31 lone 2 100 20 11 6.0-16.7 6337/5.0=2 HE3 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 92 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 98 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 81 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 94 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 78 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 79 0 - 9.8-20.6 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 11 assignments used, quality = 1.00: * H ILE 32 + HG2 LYS 31 OK 100 100 100 100 4.0-6.0 6342/3.8=100, 809/3.0=99...(10) H LEU 22 + HG3 LYS 24 OK 46 95 55 89 4.6-7.4 842/1.8=27, 4.6/821=22...(31) H ILE 32 + HG2 LYS 26 OK 21 83 45 57 3.7-13.4 ~10763=13, ~10832=13...(10) H LEU 22 - HG2 LYS 31 far 15 99 15 - 4.0-21.9 H ALA 15 - HG3 LYS 19 far 5 98 5 - 5.4-13.0 H LEU 22 - HG2 LYS 26 far 4 80 5 - 5.9-14.0 H LEU 22 - HG3 LYS 19 lone 2 95 30 6 6.3-7.4 6192/10756=4 H ILE 32 - HG3 LYS 19 far 0 98 0 - 7.8-20.8 H ALA 15 - HG2 LYS 31 far 0 100 0 - 8.3-27.9 H ASP 71 - HG3 LYS 24 far 0 97 0 - 8.8-34.6 H ILE 32 - HG3 LYS 24 far 0 97 0 - 9.6-22.0 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 17 assignments used, quality = 1.00: * H LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.9-5.1 6331/3.0=97, 5.0=97...(42) H ARG 23 + HG2 LYS 24 OK 67 78 90 96 3.7-5.9 6211/6222=82, 821/1.8=24...(19) H ALA 29 - HG3 LYS 26 poor 18 71 25 - 4.0-10.9 H SER 33 - HG3 LYS 26 far 12 83 15 - 3.8-17.3 H SER 33 - HG2 LYS 36 far 12 81 15 - 4.3-8.2 H ARG 23 - HG3 LYS 26 far 8 76 10 - 4.8-11.4 H GLU 30 - HG3 LYS 31 far 6 60 10 - 3.6-7.9 H SER 33 - HG3 LYS 31 far 5 100 5 - 5.6-8.5 H ALA 29 - HG3 LYS 31 far 5 92 5 - 5.1-11.0 H GLU 30 - HG3 LYS 26 far 4 43 10 - 4.5-12.0 H LYS 31 - HG3 LYS 26 far 4 83 5 - 4.3-12.7 H ARG 23 - HG3 LYS 31 far 0 96 0 - 6.8-20.6 H LYS 31 - HG2 LYS 24 far 0 86 0 - 6.9-19.6 H SER 33 - HG2 LYS 24 far 0 86 0 - 7.8-23.7 H GLU 30 - HG2 LYS 24 far 0 45 0 - 8.1-17.1 H ALA 29 - HG2 LYS 24 far 0 74 0 - 8.6-16.6 H LYS 31 - HG2 LYS 36 far 0 81 0 - 9.8-13.4 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 32 assignments used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-3.7 3.8=100 HA LYS 36 + HG2 LYS 36 OK 81 81 100 100 2.9-3.8 4.1=100 HA LYS 26 + HG3 LYS 26 OK 80 80 100 100 2.5-3.8 4.0=100 HA THR 25 + HG3 LYS 26 OK 73 73 100 100 3.5-5.3 11150=88, 582/6253=75...(18) HA ARG 23 + HG2 LYS 24 OK 61 82 80 94 3.7-6.5 424/6222=83, 2.9/832=24...(15) HA LEU 22 + HG2 LYS 24 OK 49 82 80 75 2.6-6.1 2.9/1309=24...(13) HA LYS 19 - HG2 LYS 24 far 8 81 10 - 4.2-13.3 HA ARG 23 - HG3 LYS 26 far 8 79 10 - 2.5-9.1 HA LYS 26 - HG3 LYS 31 far 5 99 5 - 4.7-12.7 HA LYS 19 - HG3 LYS 31 far 5 97 5 - 3.8-19.8 HA THR 25 - HG2 LYS 24 far 4 76 5 - 4.6-6.6 HA THR 25 - HG3 LYS 31 far 0 93 0 - 5.5-16.5 HA THR 18 - HG3 LYS 31 far 0 92 0 - 5.6-23.8 HA THR 18 - HG2 LYS 24 far 0 74 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 77 0 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 0 98 0 - 6.1-18.5 HA LYS 31 - HG3 LYS 26 far 0 83 0 - 6.6-15.0 HA LEU 22 - HG3 LYS 31 far 0 98 0 - 6.6-23.6 HA LYS 31 - HG2 LYS 24 far 0 86 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 100 0 - 6.9-24.0 HA LYS 26 - HG2 LYS 24 far 0 83 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 79 0 - 7.4-13.7 HA ALA 15 - HG3 LYS 31 far 0 99 0 - 7.7-25.1 HA GLN 61 - HG2 LYS 24 far 0 85 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 95 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 78 0 - 8.3-18.5 HA LYS 31 - HG2 LYS 36 far 0 81 0 - 8.4-12.7 HA ALA 21 - HG3 LYS 26 far 0 74 0 - 8.5-15.4 HA LYS 36 - HG3 LYS 26 far 0 83 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 82 0 - 8.8-39.0 HA LYS 36 - HG3 LYS 31 far 0 100 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 71 0 - 9.9-21.7 Violated in 0 structures by 0.00 A. Peak 834 from cnoeabs.peaks (1.74, 1.39, 24.73 ppm; 5.31 A): 4 out of 19 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 85 85 100 100 2.3-2.9 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 81 81 100 100 2.5-3.0 3.0=100 HB2 ARG 23 + HG2 LYS 24 OK 28 78 40 91 4.5-7.5 4.2/6222=78, 6203/832=28...(14) HB2 LYS 31 - HG3 LYS 26 far 12 83 15 - 5.0-12.1 HB2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.2-14.0 HB2 LYS 24 - HG3 LYS 26 far 8 82 10 - 3.5-10.3 HB2 ARG 23 - HG3 LYS 26 far 8 76 10 - 4.1-11.6 HB2 LYS 19 - HG3 LYS 31 far 5 99 5 - 6.0-18.8 HB2 ARG 23 - HG3 LYS 31 far 5 96 5 - 6.0-20.0 HB2 LYS 26 - HG2 LYS 24 far 4 83 5 - 6.0-10.8 HB2 LYS 31 - HG2 LYS 24 far 0 86 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 83 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 100 0 - 6.9-19.1 HB2 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.6-14.2 HB2 LYS 39 - HG2 LYS 36 far 0 64 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 81 0 - 9.4-18.8 HB2 LEU 43 - HG2 LYS 36 far 0 67 0 - 9.5-14.5 HB2 LYS 26 - HG2 LYS 36 far 0 78 0 - 9.9-20.9 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 24 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 2.7-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 81 81 100 100 2.7-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 80 80 100 100 2.9-3.0 3.0=100 HB3 LYS 26 - HG3 LYS 31 far 10 99 10 - 3.9-13.1 HB3 LYS 24 - HG3 LYS 26 far 8 83 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 8 77 10 - 2.4-11.0 HB ILE 32 - HG3 LYS 31 far 5 99 5 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 5 97 5 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 81 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 86 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 80 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 86 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.4-17.5 HB ILE 32 - HG2 LYS 36 far 0 79 0 - 6.9-9.5 HB3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 83 0 - 7.7-11.4 HB3 LYS 19 - HG3 LYS 26 far 0 83 0 - 8.0-18.1 HB2 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 82 0 - 8.6-19.4 HB ILE 32 - HG2 LYS 24 far 0 84 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 46 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 81 0 - 9.9-14.8 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 25 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 85 85 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 79 79 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 8 83 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 5 100 5 - 3.1-8.2 QB ALA 34 - HG3 LYS 26 far 0 56 0 - 4.1-17.6 HG2 LYS 26 - HG3 LYS 31 far 0 98 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 83 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 82 0 - 5.2-11.1 QB ALA 34 - HG2 LYS 36 far 0 54 0 - 5.8-7.4 HG2 LYS 31 - HG2 LYS 24 far 0 86 0 - 6.4-20.5 QB ALA 34 - HG2 LYS 24 far 0 59 0 - 6.7-25.2 HG2 LYS 26 - HG2 LYS 24 far 0 82 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 80 0 - 7.4-11.7 QB ALA 34 - HG3 LYS 31 far 0 76 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 52 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 81 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 100 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 86 0 - 8.1-13.1 HG3 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.1-21.8 HG3 LYS 36 - HG3 LYS 31 far 0 71 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 86 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 83 0 - 8.8-18.2 HG2 LYS 26 - HG2 LYS 36 far 0 77 0 - 9.0-22.2 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 35 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 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 24 far 0 86 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 83 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 86 0 - 6.2-21.7 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 96 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 83 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 81 0 - 7.1-24.1 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 83 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 78 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 80 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 79 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 96 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 98 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 79 0 - 9.1-22.5 HD3 LYS 19 - HG2 LYS 24 far 0 78 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 64 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 76 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 66 0 - 9.8-15.2 HD3 LYS 36 - HG3 LYS 31 far 0 98 0 - 10.0-14.2 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 35 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 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 24 far 0 86 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 83 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 86 0 - 6.2-21.7 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 97 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 83 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 81 0 - 7.1-24.1 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 83 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 80 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 81 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 78 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 97 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 97 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 78 0 - 9.1-22.5 HD3 LYS 19 - HG2 LYS 24 far 0 80 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 66 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 77 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 64 0 - 9.8-15.2 HD3 LYS 36 - HG3 LYS 31 far 0 97 0 - 10.0-14.2 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 34 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.0-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-4.1 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 82 82 100 100 2.1-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 80 80 100 100 2.2-4.0 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 78 78 100 100 2.0-4.2 4.0=100 HE3 LYS 26 - HG3 LYS 31 far 5 100 5 - 5.2-15.5 HE3 LYS 19 - HG3 LYS 31 far 5 100 5 - 6.2-20.2 HE2 LYS 31 - HG2 LYS 24 far 4 86 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 86 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 4 86 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 4 86 5 - 4.8-12.5 HE2 LYS 31 - HG3 LYS 26 far 4 83 5 - 5.7-14.7 HE3 LYS 24 - HG3 LYS 26 far 4 83 5 - 4.3-13.1 HE2 LYS 24 - HG3 LYS 26 far 4 79 5 - 5.9-12.5 HE2 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 98 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 56 0 - 6.7-11.9 HE3 LYS 26 - HG2 LYS 36 far 0 80 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 99 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 80 0 - 7.5-23.6 HE3 LYS 19 - HG2 LYS 24 far 0 86 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 80 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 9.1-12.9 HG CYS 73 - HG2 LYS 36 far 0 44 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 83 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 84 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 81 0 - 9.8-21.9 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 33 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 84 84 100 100 2.0-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-4.1 3.6=100 HE3 LYS 36 + HG2 LYS 36 OK 79 79 100 100 2.2-4.0 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 78 78 100 100 2.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.0-4.2 4.0=100 HE3 LYS 26 - HG3 LYS 31 far 5 100 5 - 5.2-15.5 HE3 LYS 19 - HG3 LYS 31 far 5 100 5 - 6.2-20.2 HE3 LYS 31 - HG2 LYS 24 far 4 86 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 4 86 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 4 86 5 - 4.8-12.5 HE2 LYS 31 - HG2 LYS 24 far 4 86 5 - 4.0-21.2 HE2 LYS 31 - HG3 LYS 26 far 4 83 5 - 5.7-14.7 HE3 LYS 24 - HG3 LYS 26 far 4 81 5 - 4.3-13.1 HE2 LYS 24 - HG3 LYS 26 far 4 76 5 - 5.9-12.5 HE2 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 96 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 50 0 - 6.7-11.9 HE3 LYS 26 - HG2 LYS 36 far 0 81 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 98 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 99 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 81 0 - 7.5-23.6 HE3 LYS 19 - HG2 LYS 24 far 0 86 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 81 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 80 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 97 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 81 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 82 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 78 0 - 9.8-21.9 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 9 assignments used, quality = 1.00: * H ILE 32 + HG3 LYS 31 OK 100 100 100 100 2.3-5.9 6342/3.8=100...(12) H LEU 22 + HG2 LYS 24 OK 78 83 100 95 4.2-7.5 6188/1309=37, 4.6/832=34...(30) H ILE 32 - HG3 LYS 26 poor 16 83 30 65 4.6-13.1 6356/10704=21, ~10763=16...(7) H LEU 22 - HG3 LYS 31 far 10 99 10 - 5.4-21.7 H LEU 22 - HG3 LYS 26 far 8 80 10 - 6.2-12.9 H ILE 32 - HG2 LYS 36 far 0 81 0 - 7.8-11.0 H ILE 32 - HG2 LYS 24 far 0 86 0 - 8.2-21.0 H ASP 71 - HG2 LYS 36 far 0 80 0 - 8.2-12.7 H ALA 15 - HG3 LYS 31 far 0 100 0 - 9.5-26.8 Violated in 0 structures by 0.00 A. Peak 843 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 4.49 A): 5 out of 45 assignments used, quality = 0.98: * H LYS 31 + HD2 LYS 31 OK 70 100 70 100 3.9-5.8 6331/3.5=84, 6332/3.5=82...(68) H SER 33 + HD2 LYS 36 OK 68 94 75 97 1.9-6.0 10855=57, 3.0/10775=36...(17) H LYS 31 + HD3 LYS 31 OK 60 100 60 100 3.6-6.0 6331/3.5=84, 6332/3.5=82...(68) H SER 33 + HD3 LYS 36 OK 23 94 25 96 3.1-7.6 10855/1.8=50...(15) H ARG 23 + HD3 LYS 24 OK 22 96 30 78 3.3-8.1 6211/5.9=38, 832/3.0=23...(22) H SER 33 - HD2 LYS 31 poor 20 100 20 - 4.8-9.5 H ARG 23 - HD2 LYS 24 poor 19 96 25 81 3.4-8.4 6211/5.9=38, 832/3.0=23...(22) H ALA 29 - HD2 LYS 26 poor 18 92 20 - 4.7-12.5 H SER 33 - HD3 LYS 26 poor 18 100 25 71 2.8-17.3 6362/10837=37...(8) H SER 33 - HD2 LYS 26 far 15 100 15 - 3.7-18.4 H LYS 31 - HD3 LYS 26 far 10 100 10 - 3.1-14.2 H ALA 29 - HD3 LYS 26 far 9 91 10 - 4.8-12.0 H GLU 30 - HD2 LYS 26 far 6 60 10 - 3.9-14.2 H GLU 30 - HD3 LYS 26 far 6 59 10 - 4.4-13.0 H SER 33 - HD3 LYS 31 far 5 100 5 - 5.0-9.4 H LYS 31 - HD2 LYS 26 lone 5 100 25 19 2.0-14.7 4.7/6347=4, 918/10842=4...(6) H ARG 23 - HD2 LYS 26 far 5 96 5 - 3.5-13.4 H ARG 23 - HD3 LYS 26 far 5 95 5 - 5.3-13.6 H LYS 31 - HD2 LYS 19 far 4 87 5 - 5.0-19.1 H GLU 30 - HD3 LYS 31 far 0 60 0 - 5.5-8.6 H GLU 30 - HD2 LYS 19 far 0 46 0 - 5.7-19.1 H GLU 30 - HD2 LYS 31 far 0 60 0 - 5.9-8.9 H ALA 29 - HD3 LYS 31 far 0 92 0 - 5.9-11.1 H LYS 31 - HD3 LYS 19 far 0 87 0 - 6.2-20.4 H ARG 23 - HD3 LYS 31 far 0 96 0 - 6.6-21.4 H ALA 29 - HD3 LYS 24 far 0 92 0 - 6.7-17.3 H ALA 29 - HD2 LYS 31 far 0 92 0 - 6.8-12.0 H SER 33 - HD3 LYS 24 far 0 100 0 - 6.8-25.0 H GLU 30 - HD3 LYS 19 far 0 46 0 - 7.3-20.4 H ALA 29 - HD2 LYS 19 far 0 75 0 - 7.7-20.4 H ARG 23 - HD2 LYS 31 far 0 96 0 - 7.8-21.0 H SER 33 - HD2 LYS 19 far 0 87 0 - 8.0-22.7 H LYS 31 - HD2 LYS 36 far 0 94 0 - 8.1-11.6 H SER 33 - HD2 LYS 24 far 0 100 0 - 8.2-24.9 H ALA 29 - HD2 LYS 24 far 0 92 0 - 8.3-18.6 H LYS 31 - HD3 LYS 24 far 0 100 0 - 8.4-21.0 H GLU 30 - HD2 LYS 36 far 0 52 0 - 8.5-12.7 H ARG 23 - HD2 LYS 19 far 0 79 0 - 8.5-11.6 H ARG 23 - HD3 LYS 19 far 0 79 0 - 8.6-10.9 H GLU 30 - HD3 LYS 24 far 0 60 0 - 8.7-17.5 H ALA 29 - HD2 LYS 36 far 0 82 0 - 8.8-13.8 H LYS 31 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 H ALA 29 - HD3 LYS 19 far 0 75 0 - 9.1-20.6 H SER 33 - HD3 LYS 19 far 0 87 0 - 9.2-23.6 H LYS 31 - HD3 LYS 36 far 0 94 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 844 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 4.56 A): 13 out of 91 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=67, ~6331=35...(35) HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.8 5.2=67, ~6331=35...(34) HA LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.5-5.2 5.0=77, ~6253=40...(33) HA LYS 36 + HD3 LYS 36 OK 94 94 100 100 4.1-5.2 5.3=65, ~6394=39...(31) HA LYS 36 + HD2 LYS 36 OK 94 94 100 100 4.2-5.0 5.3=65, ~6394=39...(31) HA LYS 26 + HD2 LYS 26 OK 93 99 95 100 3.8-5.5 5.0=77, ~6253=40...(33) HA LYS 19 + HD2 LYS 19 OK 77 82 95 100 3.6-5.5 5.2=69, 11871/10696=35...(42) HA LYS 19 + HD3 LYS 19 OK 73 82 90 99 3.9-5.5 5.2=69, 627/3.0=28...(41) HA THR 25 + HD3 LYS 26 OK 41 92 45 99 4.3-7.0 11150/2.9=73...(16) HA LEU 22 + HD2 LYS 24 OK 35 98 55 65 2.0-8.9 401/10812=22, ~1309=14...(13) HA THR 25 + HD2 LYS 26 OK 32 93 35 99 3.0-7.4 11150/2.9=73...(14) HA LEU 22 + HD3 LYS 24 OK 32 98 55 59 1.9-8.8 ~1309=14, 11967/3.0=11...(12) HA THR 18 + HD2 LYS 19 OK 22 75 30 96 5.2-7.4 3.2/10696=74...(14) HA ARG 23 - HD3 LYS 24 poor 20 98 20 - 3.7-7.9 HA ALA 15 - HD3 LYS 19 poor 17 83 20 - 4.8-12.5 HA LYS 31 - HD3 LYS 26 far 15 100 15 - 5.0-16.1 HA ARG 23 - HD2 LYS 24 far 15 98 15 - 4.8-8.7 HA THR 25 - HD3 LYS 24 far 14 93 15 - 3.4-7.5 HA THR 18 - HD3 LYS 19 far 11 75 15 - 5.1-7.8 HA ALA 15 - HD2 LYS 19 far 8 83 10 - 4.4-12.5 HA LYS 31 - HD2 LYS 26 far 5 100 5 - 3.8-16.5 HA ARG 23 - HD2 LYS 26 far 5 98 5 - 2.1-11.5 HA LEU 22 - HD3 LYS 31 far 5 98 5 - 5.1-21.9 HA LYS 19 - HD3 LYS 31 far 5 97 5 - 2.1-21.0 HA LYS 19 - HD2 LYS 31 far 5 97 5 - 3.8-21.0 HA ARG 23 - HD3 LYS 26 far 5 97 5 - 3.6-11.3 HA ALA 21 - HD2 LYS 24 far 5 95 5 - 5.0-11.7 HA THR 25 - HD2 LYS 24 far 5 93 5 - 5.2-8.2 HA ALA 16 - HD3 LYS 19 lone 1 87 35 4 2.1-10.6 HA ALA 16 - HD2 LYS 19 lone 1 87 30 4 3.4-10.2 HA SER 74 - HD3 LYS 19 far 0 76 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 100 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 99 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 94 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 97 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 98 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 92 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 94 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 98 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 97 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 98 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 83 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 92 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 87 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 98 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 93 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 99 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 76 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 97 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 100 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 94 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 99 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 99 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 100 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 99 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 92 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 83 0 - 7.5-20.7 HA LYS 36 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 78 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 87 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 93 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 78 0 - 7.7-10.6 HA LYS 36 - HD3 LYS 26 far 0 100 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 94 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 92 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-15.3 HA ALA 21 - HD3 LYS 31 far 0 94 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 100 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 100 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 99 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 83 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 97 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 83 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 92 0 - 8.8-21.0 HA LYS 31 - HD3 LYS 36 far 0 94 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 83 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 99 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 89 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 83 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 99 0 - 9.2-49.0 HA ALA 12 - HD3 LYS 26 far 0 98 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 100 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 98 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 91 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 95 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 89 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 84 0 - 9.7-20.9 HA LEU 22 - HD2 LYS 19 far 0 83 0 - 9.9-12.2 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 46 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 2.0-4.0 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 98 98 100 100 1.9-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 84 84 100 100 2.3-3.6 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 100 15 - 2.6-13.4 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.8-12.9 HB2 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.3-12.3 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.0-20.8 HB2 ARG 23 - HD2 LYS 26 far 5 96 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 24 far 5 96 5 - 4.6-9.3 HB2 LYS 31 - HD2 LYS 26 lone 2 100 25 8 2.4-13.9 809/6347=4, 6331/6335=2 HB2 ARG 23 - HD2 LYS 24 far 0 96 0 - 5.4-10.0 HB2 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 0 99 0 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 0 95 0 - 5.5-13.8 HB2 LYS 26 - HD3 LYS 31 far 0 99 0 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 96 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 87 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 99 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 79 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 87 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 99 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 92 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 79 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 92 0 - 8.3-21.2 HB2 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.6-16.5 HB2 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 86 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 94 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 84 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.1-20.0 HB3 LEU 70 - HD3 LYS 24 far 0 60 0 - 9.8-36.3 HB3 LEU 70 - HD2 LYS 24 far 0 60 0 - 10.0-36.9 Violated in 0 structures by 0.00 A. Peak 846 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.23 A): 10 out of 63 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-4.2 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 2.3-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.2-3.5 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.9-3.9 3.9=100 HB ILE 32 - HD2 LYS 31 poor 20 99 20 - 4.9-9.0 HB ILE 32 - HD2 LYS 26 poor 20 99 20 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 15 99 15 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 14 92 15 - 4.6-8.0 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB ILE 32 - HD3 LYS 26 far 10 99 10 - 4.8-14.9 HB3 ARG 23 - HD2 LYS 26 far 10 96 10 - 4.3-13.4 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.3-19.1 HB3 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-14.8 HB3 LYS 26 - HD3 LYS 31 far 5 99 5 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 5 96 5 - 4.9-13.2 HB3 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 96 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 92 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 87 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 97 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 97 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 99 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 80 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 80 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 99 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 99 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 85 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 84 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 57 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 99 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 85 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.5-17.0 HB2 CYS 79 - HD2 LYS 36 far 0 57 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 84 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 88 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 847 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 3.43 A): 10 out of 59 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.0 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 2.3-2.9 2.9=100 HG3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.4-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 62 62 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 62 62 100 100 2.3-2.9 3.0=100 HG13 ILE 32 - HD2 LYS 31 poor 20 100 20 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 far 15 100 15 - 3.0-13.6 HG13 ILE 32 - HD3 LYS 31 far 15 100 15 - 3.4-9.5 HG13 ILE 32 - HD3 LYS 26 far 10 100 10 - 3.5-12.7 QB ALA 34 - HD2 LYS 26 far 8 76 10 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 far 7 75 10 - 2.0-17.7 HG3 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.9-13.0 HG2 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-15.2 HG3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-12.6 HG2 LYS 31 - HD2 LYS 26 far 0 100 0 - 4.4-16.1 QB ALA 34 - HD3 LYS 36 far 0 66 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 59 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 76 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 59 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 66 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 98 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 71 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 94 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 76 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 98 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 76 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 70 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 76 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 90 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 87 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 71 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 94 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 71 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 98 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 90 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 98 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 100 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 86 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 86 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 83 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 86 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 100 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 9.9-15.8 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 91 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 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 53 53 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 53 53 100 100 2.4-3.0 3.0=100 QB ALA 15 - HD2 LYS 19 poor 17 83 20 - 2.2-10.6 QB ALA 28 - HD2 LYS 26 far 15 99 15 - 4.6-9.5 QB ALA 29 - HD2 LYS 26 far 15 97 15 - 4.1-12.5 QB ALA 15 - HD3 LYS 19 far 13 83 15 - 3.1-10.4 QB ALA 34 - HD3 LYS 26 poor 12 62 20 - 2.0-17.7 HG3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.1-16.0 QB ALA 34 - HD2 LYS 26 far 6 63 10 - 3.3-18.8 HG3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.8-16.4 QB ALA 15 - HD2 LYS 31 far 5 99 5 - 3.7-21.3 QB ALA 29 - HD3 LYS 26 far 5 97 5 - 4.6-11.8 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 5 93 5 - 4.1-20.4 QB ALA 28 - HD2 LYS 19 far 4 84 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 84 5 - 4.7-17.0 QB ALA 34 - HD3 LYS 36 far 3 54 5 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 2 48 5 - 4.8-21.3 QB ALA 16 - HD3 LYS 19 lone 1 76 40 5 2.4-9.7 7141/6.2=1 QB ALA 16 - HD2 LYS 19 lone 1 76 30 5 2.3-9.2 7141/6.2=1 HG2 LYS 24 - HD2 LYS 26 far 0 96 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 99 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 98 0 - 5.0-9.6 QB ALA 34 - HD3 LYS 24 far 0 63 0 - 5.1-26.2 HG2 LYS 24 - HD3 LYS 26 far 0 96 0 - 5.1-12.5 QB ALA 34 - HD3 LYS 19 far 0 48 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 54 0 - 5.2-6.9 QB ALA 29 - HD2 LYS 36 far 0 89 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 68 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 96 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 5.8-10.1 QB ALA 34 - HD2 LYS 24 far 0 63 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 6.0-10.4 HG3 LYS 26 - HD3 LYS 24 far 0 98 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 99 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 68 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 67 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 97 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 89 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 63 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 99 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 98 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 87 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 63 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 68 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 82 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 99 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 80 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 97 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 87 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.3-15.6 HG3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 97 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 82 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 87 0 - 8.5-12.4 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 99 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 84 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 92 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 93 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 99 0 - 9.0-20.5 HG3 LYS 26 - HD3 LYS 36 far 0 90 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 68 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 93 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 92 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 80 0 - 9.2-14.9 QB ALA 16 - HD3 LYS 36 far 0 84 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 83 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 93 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 68 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 94 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 99 0 - 10.0-20.6 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 89 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 2.2-3.0 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 2.3-3.0 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 2.2-3.0 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 2.2-3.0 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 97 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 94 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 94 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 98 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 94 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 98 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 94 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 98 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 83 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 86 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 69 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 69 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 86 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 86 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 83 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 86 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 98 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 54 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 92 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 86 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 86 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 54 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 90 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 86 0 - 9.9-20.9 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 87 assignments used, quality = 1.00: * HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.2-3.0 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 94 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 94 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 94 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 96 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 94 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 79 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 87 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 62 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 62 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 87 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 90 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 86 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 90 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 87 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 85 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 87 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 854 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 5.05 A): 8 out of 45 assignments used, quality = 1.00: H LYS 31 + HD2 LYS 31 OK 100 100 100 100 3.9-5.8 6331/3.5=94, 6332/3.5=93...(68) * H LYS 31 + HD3 LYS 31 OK 90 100 90 100 3.6-6.0 6331/3.5=94, 6332/3.5=93...(68) H SER 33 + HD2 LYS 36 OK 86 92 95 98 1.9-6.0 10855=56, 3.0/10775=42...(17) H ARG 23 + HD2 LYS 24 OK 42 96 50 89 3.4-8.4 6211/5.9=50, 832/3.0=28...(25) H ARG 23 + HD3 LYS 24 OK 42 96 50 87 3.3-8.1 6211/5.9=50, 832/3.0=28...(25) H SER 33 + HD3 LYS 36 OK 36 92 40 98 3.1-7.6 10855/1.8=58...(15) H SER 33 + HD2 LYS 26 OK 25 100 30 85 3.7-18.4 6361/10833=55...(9) H SER 33 + HD3 LYS 26 OK 23 100 30 76 2.8-17.3 6362/10837=42...(9) H LYS 31 - HD3 LYS 26 poor 20 100 20 - 3.1-14.2 H GLU 30 - HD2 LYS 26 poor 15 60 25 - 3.9-14.2 H SER 33 - HD3 LYS 31 far 15 100 15 - 5.0-9.4 H SER 33 - HD2 LYS 31 poor 12 100 25 50 4.8-9.5 6360/10763=23...(9) H ALA 29 - HD3 LYS 26 far 9 91 10 - 4.8-12.0 H ALA 29 - HD2 LYS 26 poor 8 92 30 31 4.7-12.5 4.6/10771=21...(6) H LYS 31 - HD2 LYS 26 poor 6 100 25 24 2.0-14.7 4.7/6347=5, 6305/10771=4...(7) H GLU 30 - HD3 LYS 31 far 6 60 10 - 5.5-8.6 H GLU 30 - HD3 LYS 26 far 6 60 10 - 4.4-13.0 H ARG 23 - HD2 LYS 26 far 5 96 5 - 3.5-13.4 H ARG 23 - HD3 LYS 26 far 5 95 5 - 5.3-13.6 H ALA 29 - HD3 LYS 31 far 5 92 5 - 5.9-11.1 H LYS 31 - HD2 LYS 19 far 4 90 5 - 5.0-19.1 H GLU 30 - HD2 LYS 31 far 3 60 5 - 5.9-8.9 H GLU 30 - HD2 LYS 19 far 2 48 5 - 5.7-19.1 H LYS 31 - HD3 LYS 19 far 0 90 0 - 6.2-20.4 H ARG 23 - HD3 LYS 31 far 0 96 0 - 6.6-21.4 H ALA 29 - HD3 LYS 24 far 0 92 0 - 6.7-17.3 H ALA 29 - HD2 LYS 31 far 0 92 0 - 6.8-12.0 H SER 33 - HD3 LYS 24 far 0 100 0 - 6.8-25.0 H GLU 30 - HD3 LYS 19 far 0 48 0 - 7.3-20.4 H ALA 29 - HD2 LYS 19 far 0 78 0 - 7.7-20.4 H ARG 23 - HD2 LYS 31 far 0 96 0 - 7.8-21.0 H SER 33 - HD2 LYS 19 far 0 89 0 - 8.0-22.7 H LYS 31 - HD2 LYS 36 far 0 92 0 - 8.1-11.6 H SER 33 - HD2 LYS 24 far 0 100 0 - 8.2-24.9 H ALA 29 - HD2 LYS 24 far 0 92 0 - 8.3-18.6 H LYS 31 - HD3 LYS 24 far 0 100 0 - 8.4-21.0 H GLU 30 - HD2 LYS 36 far 0 50 0 - 8.5-12.7 H ARG 23 - HD2 LYS 19 far 0 82 0 - 8.5-11.6 H ARG 23 - HD3 LYS 19 far 0 82 0 - 8.6-10.9 H GLU 30 - HD3 LYS 24 far 0 60 0 - 8.7-17.5 H ALA 29 - HD2 LYS 36 far 0 80 0 - 8.8-13.8 H LYS 31 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 H ALA 29 - HD3 LYS 19 far 0 78 0 - 9.1-20.6 H SER 33 - HD3 LYS 19 far 0 89 0 - 9.2-23.6 H LYS 31 - HD3 LYS 36 far 0 92 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 855 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 4.35 A): 12 out of 91 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.8 5.2=58, 822/2.9=31...(34) HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=58, 822/2.9=31...(34) HA LYS 26 + HD3 LYS 26 OK 93 98 95 99 2.5-5.2 5.0=67, ~6253=36...(33) HA LYS 36 + HD3 LYS 36 OK 91 92 100 100 4.1-5.2 5.3=56, ~6394=34...(30) HA LYS 36 + HD2 LYS 36 OK 91 92 100 100 4.2-5.0 5.3=56, ~6394=34...(30) HA LYS 19 + HD2 LYS 19 OK 71 84 85 99 3.6-5.5 5.2=60, 11871/10696=33...(42) HA LYS 19 + HD3 LYS 19 OK 71 84 85 99 3.9-5.5 5.2=60, 627/3.0=26...(41) HA LYS 26 + HD2 LYS 26 OK 59 99 60 99 3.8-5.5 5.0=67, ~6253=36...(32) HA LEU 22 + HD2 LYS 24 OK 33 98 55 61 2.0-8.9 401/10812=21, ~1309=12...(13) HA THR 25 + HD3 LYS 26 OK 27 93 30 98 4.3-7.0 11150/2.9=68...(16) HA LEU 22 + HD3 LYS 24 OK 24 98 45 55 1.9-8.8 ~1309=12, 11967/3.0=9...(12) HA THR 25 + HD2 LYS 26 OK 23 93 25 98 3.0-7.4 11150/2.9=68...(14) HA ARG 23 - HD3 LYS 24 far 15 98 15 - 3.7-7.9 HA ALA 15 - HD3 LYS 19 far 13 86 15 - 4.8-12.5 HA LYS 31 - HD3 LYS 26 far 10 100 10 - 5.0-16.1 HA ARG 23 - HD2 LYS 24 far 10 98 10 - 4.8-8.7 HA ALA 15 - HD2 LYS 19 far 9 86 10 - 4.4-12.5 HA THR 18 - HD3 LYS 19 far 8 78 10 - 5.1-7.8 HA THR 18 - HD2 LYS 19 far 8 78 10 - 5.2-7.4 HA LYS 31 - HD2 LYS 26 far 5 100 5 - 3.8-16.5 HA ARG 23 - HD2 LYS 26 far 5 98 5 - 2.1-11.5 HA LEU 22 - HD3 LYS 31 far 5 98 5 - 5.1-21.9 HA ARG 23 - HD3 LYS 26 far 5 98 5 - 3.6-11.3 HA LYS 19 - HD3 LYS 31 far 5 97 5 - 2.1-21.0 HA LYS 19 - HD2 LYS 31 far 5 97 5 - 3.8-21.0 HA ALA 21 - HD2 LYS 24 far 5 94 5 - 5.0-11.7 HA THR 25 - HD3 LYS 24 far 5 93 5 - 3.4-7.5 HA THR 25 - HD2 LYS 24 far 5 93 5 - 5.2-8.2 HA ALA 16 - HD3 LYS 19 lone 1 89 35 3 2.1-10.6 HA ALA 16 - HD2 LYS 19 lone 1 89 30 4 3.4-10.2 HA SER 74 - HD3 LYS 19 far 0 79 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 100 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 99 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 95 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 97 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 98 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 92 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 95 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 98 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 97 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 98 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 86 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 92 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 90 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 98 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 93 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 99 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 79 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 98 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 100 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 92 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 99 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 99 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 100 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 99 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 92 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 86 0 - 7.5-20.7 HA LYS 36 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 81 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 90 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 93 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 81 0 - 7.7-10.6 HA LYS 36 - HD3 LYS 26 far 0 100 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 94 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 92 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-15.3 HA ALA 21 - HD3 LYS 31 far 0 95 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 100 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 100 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 100 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 97 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 92 0 - 8.8-21.0 HA LYS 31 - HD3 LYS 36 far 0 92 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 86 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 99 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 87 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 86 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 99 0 - 9.2-49.0 HA ALA 12 - HD3 LYS 26 far 0 98 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 100 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 98 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 91 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 94 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 87 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 82 0 - 9.7-20.9 HA LEU 22 - HD2 LYS 19 far 0 85 0 - 9.9-12.2 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 46 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 1.9-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.3-3.6 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 100 15 - 2.6-13.4 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.8-12.9 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.0-20.8 HB2 ARG 23 - HD2 LYS 26 far 5 96 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 24 far 5 96 5 - 4.6-9.3 HB2 LYS 31 - HD2 LYS 26 lone 2 100 25 8 2.4-13.9 809/6347=4, 6331/6335=2 HB2 ARG 23 - HD2 LYS 24 far 0 96 0 - 5.4-10.0 HB2 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 0 99 0 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 0 95 0 - 5.5-13.8 HB2 LYS 26 - HD3 LYS 31 far 0 99 0 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 96 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 90 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 99 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 82 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 99 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 89 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 82 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.1-20.0 HB2 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 89 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 89 0 - 8.3-21.2 HB2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.6-16.5 HB2 LYS 19 - HD3 LYS 36 far 0 89 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 89 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.1-20.0 HB3 LEU 70 - HD3 LYS 24 far 0 60 0 - 9.8-36.3 HB3 LEU 70 - HD2 LYS 24 far 0 60 0 - 10.0-36.9 Violated in 0 structures by 0.00 A. Peak 857 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.18 A): 10 out of 63 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-3.8 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 2.3-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.3-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.5 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.4-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.9-3.9 3.9=100 HB ILE 32 - HD2 LYS 31 poor 20 99 20 - 4.9-9.0 HB ILE 32 - HD2 LYS 26 far 15 99 15 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 15 99 15 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 14 90 15 - 4.6-8.0 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB ILE 32 - HD3 LYS 26 far 10 99 10 - 4.8-14.9 HB3 ARG 23 - HD2 LYS 26 far 10 97 10 - 4.3-13.4 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-15.2 HB3 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-14.8 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.3-19.1 HB3 LYS 26 - HD3 LYS 31 far 5 99 5 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 5 96 5 - 4.9-13.2 HB3 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 97 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 90 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 90 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 19 far 0 90 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 96 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 97 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 96 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 99 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 89 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 83 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 99 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 99 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 88 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 92 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 87 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 89 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 55 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 99 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 89 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 88 0 - 9.2-23.2 HB3 LYS 24 - HD3 LYS 19 far 0 89 0 - 9.5-17.0 HB2 CYS 79 - HD2 LYS 36 far 0 55 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 87 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 86 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 858 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 3.30 A): 10 out of 59 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.0 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 2.3-2.9 2.9=100 HG3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.4-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 60 60 100 100 2.3-2.9 3.0=100 HG13 ILE 32 - HD3 LYS 31 far 15 100 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 31 far 15 100 15 - 3.7-8.9 HG13 ILE 32 - HD2 LYS 26 far 10 100 10 - 3.0-13.6 QB ALA 34 - HD2 LYS 26 far 8 76 10 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 far 8 75 10 - 2.0-17.7 HG2 LYS 31 - HD3 LYS 26 far 5 100 5 - 3.8-15.2 HG13 ILE 32 - HD3 LYS 26 far 5 100 5 - 3.5-12.7 HG3 LYS 24 - HD2 LYS 26 far 5 100 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-12.6 HG2 LYS 31 - HD2 LYS 26 far 0 100 0 - 4.4-16.1 QB ALA 34 - HD3 LYS 36 far 0 64 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 62 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 76 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 62 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 64 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 98 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 71 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 91 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 76 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 98 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 76 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 70 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 76 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 88 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 90 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 71 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 91 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 71 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 98 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 88 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 98 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 100 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 89 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 89 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 85 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 89 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 100 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 9.9-15.8 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 91 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 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 55 55 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 55 55 100 100 2.4-3.0 3.0=100 QB ALA 28 - HD2 LYS 26 poor 20 99 20 - 4.6-9.5 QB ALA 29 - HD2 LYS 26 poor 19 97 20 - 4.1-12.5 QB ALA 15 - HD2 LYS 19 poor 17 86 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 poor 17 86 20 - 3.1-10.4 QB ALA 34 - HD3 LYS 26 poor 12 62 20 - 2.0-17.7 HG3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.1-16.0 QB ALA 34 - HD2 LYS 26 far 9 63 15 - 3.3-18.8 HG3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.8-16.4 QB ALA 15 - HD2 LYS 31 far 5 99 5 - 3.7-21.3 QB ALA 28 - HD3 LYS 26 far 5 99 5 - 5.0-9.6 QB ALA 15 - HD3 LYS 31 far 5 99 5 - 5.0-22.0 QB ALA 29 - HD3 LYS 26 far 5 97 5 - 4.6-11.8 HG2 LYS 24 - HD2 LYS 26 far 5 97 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 26 far 5 96 5 - 5.1-12.5 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 5 93 5 - 4.1-20.4 QB ALA 28 - HD2 LYS 19 far 4 87 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 87 5 - 4.7-17.0 QB ALA 34 - HD3 LYS 24 far 3 63 5 - 5.1-26.2 QB ALA 34 - HD3 LYS 36 far 3 52 5 - 4.6-6.4 QB ALA 34 - HD2 LYS 36 far 3 52 5 - 5.2-6.9 QB ALA 34 - HD2 LYS 19 far 3 50 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 3 50 5 - 5.2-22.3 QB ALA 16 - HD2 LYS 19 lone 2 79 45 6 2.3-9.2 7141/6.2=1 QB ALA 16 - HD3 LYS 19 lone 2 79 45 5 2.4-9.7 7141/6.2=1 QB ALA 29 - HD2 LYS 36 far 0 87 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 68 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 5.8-10.1 QB ALA 34 - HD2 LYS 24 far 0 63 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 6.0-10.4 HG3 LYS 26 - HD3 LYS 24 far 0 98 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 99 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 68 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 68 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 97 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 87 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 63 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 99 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 98 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 90 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 63 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 68 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 84 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 99 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 83 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 97 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 84 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 88 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.3-15.6 HG3 LYS 31 - HD2 LYS 36 far 0 92 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 97 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 84 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 84 0 - 8.5-12.4 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 99 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 82 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 93 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 93 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 99 0 - 9.0-20.5 HG3 LYS 26 - HD3 LYS 36 far 0 88 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 68 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 93 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 89 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 83 0 - 9.2-14.9 QB ALA 16 - HD3 LYS 36 far 0 82 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 85 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 93 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 68 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 92 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 99 0 - 10.0-20.6 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 89 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 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 2.3-3.0 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 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.2-3.0 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 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 98 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 91 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 91 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 98 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 91 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 91 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 98 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 91 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 98 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 91 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 89 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 66 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 66 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 89 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 90 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 89 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 85 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 99 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 52 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 90 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 90 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 89 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 52 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 88 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.9-20.9 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 87 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 2.3-3.0 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 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 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 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 96 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 60 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 60 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 91 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 98 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 90 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 88 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 84 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 865 from cnoeabs.peaks (8.23, 2.96, 41.80 ppm; 6.80 A): 9 out of 45 assignments used, quality = 1.00: * H LYS 31 + HE2 LYS 31 OK 100 100 100 100 3.5-7.3 6331/4.8=99, 6332/4.8=98...(53) H LYS 31 + HE3 LYS 31 OK 100 100 100 100 4.3-6.8 6331/4.8=99, 6332/4.8=98...(52) H SER 33 + HE2 LYS 36 OK 80 97 85 97 2.2-8.1 10855/3.0=63...(7) H ARG 23 + HE3 LYS 24 OK 74 95 85 92 2.8-9.2 6211/7.4=62, 832/4.0=36...(25) H SER 33 + HE3 LYS 36 OK 73 100 75 97 3.7-8.3 10855/3.0=63...(7) H ARG 23 + HE2 LYS 24 OK 59 87 75 91 3.4-9.4 6211/7.4=62, 832/4.0=36...(25) H SER 33 + HE3 LYS 31 OK 37 100 65 57 4.5-10.3 6361/10825=35...(5) H SER 33 + HE2 LYS 26 OK 34 100 45 75 2.0-19.6 6362/10757=47...(5) H SER 33 + HE2 LYS 31 OK 31 100 60 51 4.0-9.8 6361/10825=26...(6) H LYS 31 - HE3 LYS 26 poor 20 100 20 - 4.0-15.4 H SER 33 - HE3 LYS 26 poor 18 100 35 53 2.8-18.5 6362/10757=29...(5) H ALA 29 - HE3 LYS 31 far 14 91 15 - 6.6-12.4 H GLU 30 - HE2 LYS 31 poor 12 60 50 41 4.7-9.6 4.6/6337=30, 416/6.5=10 H GLU 30 - HE3 LYS 26 poor 12 59 20 - 5.7-13.9 H ARG 23 - HE2 LYS 31 far 10 96 10 - 5.2-21.0 H ARG 23 - HE2 LYS 26 far 9 95 10 - 4.8-13.9 H ARG 23 - HE3 LYS 26 far 9 95 10 - 4.9-12.5 H ARG 23 - HE3 LYS 31 far 9 95 10 - 6.9-21.2 H GLU 30 - HE2 LYS 26 far 9 59 15 - 5.6-13.0 H GLU 30 - HE3 LYS 31 poor 8 59 35 40 6.2-9.4 4.6/6337=30, 416/6.5=10 H ALA 29 - HE3 LYS 26 poor 8 91 40 22 5.6-12.0 934/9008=9, 6337=2...(5) H ALA 29 - HE2 LYS 26 poor 7 91 30 24 5.3-12.7 934/9008=11, 821/3.6=2...(5) H LYS 31 - HE2 LYS 26 poor 6 100 25 25 4.7-14.2 10802/9008=13...(5) H LYS 31 - HE3 LYS 19 far 5 100 5 - 4.5-19.7 H SER 33 - HE3 LYS 19 far 5 100 5 - 6.6-21.3 H SER 33 - HE3 LYS 24 far 5 100 5 - 7.3-26.8 H LYS 31 - HE2 LYS 19 far 5 98 5 - 4.6-20.1 H SER 33 - HE2 LYS 24 far 5 94 5 - 5.6-26.4 H ALA 29 - HE3 LYS 19 far 5 92 5 - 7.5-21.3 H ALA 29 - HE2 LYS 19 far 4 88 5 - 6.3-21.9 H ALA 29 - HE2 LYS 24 far 4 82 5 - 7.5-18.4 H GLU 30 - HE3 LYS 19 far 3 60 5 - 6.0-20.2 H GLU 30 - HE2 LYS 19 far 3 56 5 - 5.0-20.3 H ALA 29 - HE2 LYS 31 lone 2 92 25 11 5.1-12.7 934/9008=7 H ARG 23 - HE3 LYS 19 far 0 96 0 - 7.9-11.9 H ALA 29 - HE3 LYS 24 far 0 91 0 - 7.9-18.5 H LYS 31 - HE2 LYS 36 far 0 97 0 - 8.1-13.1 H SER 33 - HE2 LYS 19 far 0 98 0 - 8.1-23.1 H LYS 31 - HE3 LYS 24 far 0 100 0 - 8.6-22.5 H ARG 23 - HE2 LYS 19 far 0 92 0 - 8.8-12.6 H GLU 30 - HE2 LYS 36 far 0 55 0 - 9.2-14.8 H LYS 31 - HE2 LYS 24 far 0 94 0 - 9.2-22.5 H GLU 30 - HE3 LYS 24 far 0 59 0 - 9.2-19.3 H GLU 30 - HE2 LYS 24 far 0 52 0 - 9.3-19.2 H LYS 31 - HE3 LYS 36 far 0 100 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 866 from cnoeabs.peaks (4.28, 2.96, 41.80 ppm; 5.57 A): 13 out of 90 assignments used, quality = 1.00: HA LYS 36 + HE3 LYS 36 OK 99 100 100 100 4.7-6.5 6.0=82, 3.0/1064=48...(22) * HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 2.0-6.1 6.5=64, 822/3.7=38...(28) HA LYS 31 + HE3 LYS 31 OK 99 100 100 99 2.6-6.0 6.5=64, 822/3.7=38...(28) HA LYS 19 + HE3 LYS 19 OK 97 97 100 99 4.2-6.1 6.4=67, 627/3.8=32...(35) HA LYS 26 + HE3 LYS 26 OK 96 98 100 98 3.2-6.0 6.6=60, 627/3.6=35...(23) HA LYS 26 + HE2 LYS 26 OK 91 98 95 98 2.8-6.5 6.6=60, 627/3.6=35...(23) HA LYS 19 + HE2 LYS 19 OK 89 94 95 99 4.1-6.6 6.4=67, 627/3.8=32...(35) HA THR 25 + HE3 LYS 26 OK 87 92 95 99 3.2-7.5 11150/3.6=81, 9587=63...(13) HA LYS 36 + HE2 LYS 36 OK 87 97 90 100 5.6-6.5 6.0=82, 3.0/1064=38...(22) HA THR 25 + HE2 LYS 26 OK 82 92 90 99 2.8-7.9 11150/3.6=81...(13) HA PHE 87 + HE3 LYS 86 OK 73 93 80 98 4.4-7.9 4.9/2704=72...(10) HA LEU 22 + HE3 LYS 24 OK 29 97 55 54 2.1-8.7 11967/4.0=16...(9) HA LEU 22 + HE2 LYS 24 OK 24 90 60 44 3.1-8.8 11967/4.0=16, 1018/4.0=9...(8) HA ARG 23 - HE3 LYS 24 poor 19 97 30 66 4.1-9.5 424/7.4=41, 1018/4.0=11...(11) HA ALA 15 - HE2 LYS 19 poor 19 96 20 - 4.2-14.7 HA ALA 21 - HE3 LYS 24 poor 19 94 20 - 4.9-11.8 HA THR 25 - HE3 LYS 24 poor 18 92 20 - 4.8-9.1 HA THR 18 - HE3 LYS 19 poor 18 92 20 - 4.8-9.2 HA ARG 23 - HE2 LYS 24 poor 18 90 30 67 4.5-9.3 424/7.4=41, 1018/4.0=11...(11) HA THR 25 - HE2 LYS 24 poor 17 84 20 - 6.1-9.0 HA ALA 21 - HE2 LYS 24 far 13 85 15 - 6.3-12.4 HA ALA 15 - HE3 LYS 19 far 10 99 10 - 5.6-14.5 HA ARG 23 - HE2 LYS 31 far 10 98 10 - 4.9-18.7 HA ARG 23 - HE2 LYS 26 far 10 97 10 - 3.6-11.8 HA ARG 23 - HE3 LYS 31 far 10 97 10 - 5.5-19.0 HA LYS 19 - HE3 LYS 24 far 10 97 10 - 4.4-14.4 HA THR 25 - HE2 LYS 31 far 9 93 10 - 5.1-18.0 HA THR 25 - HE3 LYS 31 far 9 92 10 - 4.9-17.1 HA LYS 19 - HE2 LYS 24 far 9 89 10 - 3.8-14.9 HA THR 18 - HE2 LYS 19 far 9 88 10 - 6.1-8.5 HA LYS 31 - HE3 LYS 26 far 5 100 5 - 4.7-17.0 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 6.1-21.9 HA LYS 31 - HE2 LYS 26 far 5 100 5 - 6.2-16.8 HA ALA 12 - HE3 LYS 19 far 5 99 5 - 6.0-19.5 HA LYS 26 - HE2 LYS 31 far 5 99 5 - 6.5-14.4 HA LEU 22 - HE2 LYS 31 far 5 98 5 - 4.9-22.6 HA ARG 23 - HE3 LYS 26 far 5 97 5 - 3.1-11.4 HA LYS 19 - HE2 LYS 31 far 5 97 5 - 4.9-21.3 HA LEU 22 - HE3 LYS 31 far 5 97 5 - 6.3-24.0 HA LYS 19 - HE3 LYS 31 far 5 97 5 - 3.8-22.2 HA ALA 12 - HE2 LYS 19 far 5 96 5 - 5.8-19.1 HA SER 74 - HE2 LYS 19 far 4 89 5 - 5.0-34.2 HA THR 18 - HE2 LYS 24 far 4 82 5 - 5.8-15.2 HA ALA 16 - HE2 LYS 19 lone 2 98 35 7 3.7-12.6 7131/7.3=1 HA ALA 16 - HE3 LYS 19 lone 2 100 30 7 4.0-12.0 7131/7.3=1 HA ARG 84 - HE3 LYS 86 far 0 57 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 93 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 98 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 99 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 98 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 91 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 97 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 97 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 91 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 100 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 99 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 98 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 94 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 100 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 97 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 91 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 100 0 - 8.1-14.2 HA LYS 26 - HE2 LYS 19 far 0 96 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 95 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 100 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 99 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 94 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 91 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 92 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 97 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 91 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 95 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 100 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 99 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 100 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 94 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 94 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 84 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 92 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 98 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 99 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 91 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 98 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 93 0 - 10.0-41.1 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 50 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.0-4.4 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.7 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.1 4.8=100 HB ILE 80 + HE3 LYS 86 OK 98 98 100 100 1.9-5.1 ~11877=94, ~11243=93...(20) HB2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 93 93 100 100 2.8-5.4 5.1=100 HG3 ARG 90 + HE3 LYS 86 OK 75 94 80 99 2.9-9.3 9651/9655=94...(6) HB2 LYS 31 - HE3 LYS 26 poor 20 100 20 - 3.2-14.2 HB2 ARG 23 - HE2 LYS 24 poor 17 87 20 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 poor 15 95 30 54 4.4-10.1 4.2/2703=8, 834/4.0=8...(25) HB2 LYS 26 - HE2 LYS 31 far 15 99 15 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 15 99 15 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 15 98 15 - 6.8-14.2 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 5.0-20.1 HB2 LYS 24 - HE3 LYS 31 far 10 99 10 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.1-22.2 HB2 LYS 19 - HE3 LYS 24 far 10 98 10 - 6.2-16.4 HB2 ARG 23 - HE2 LYS 31 far 10 96 10 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 19 far 10 96 10 - 5.8-12.3 HB2 ARG 23 - HE2 LYS 26 far 9 95 10 - 4.6-13.6 HB2 ARG 23 - HE3 LYS 26 far 9 95 10 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 31 far 9 95 10 - 5.6-20.3 HB2 LYS 19 - HE2 LYS 24 far 9 92 10 - 5.7-16.4 HB2 LYS 24 - HE3 LYS 26 poor 7 99 25 28 3.2-10.9 11151/9587=22 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.1 HB2 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.6-19.1 HB2 LYS 31 - HE2 LYS 36 far 5 97 5 - 7.6-13.8 HB2 LYS 24 - HE2 LYS 26 lone 5 99 30 15 3.9-12.6 11151/9587=11 HB2 ARG 23 - HE2 LYS 19 far 5 92 5 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 5 92 5 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 26 lone 3 100 30 9 4.5-15.1 6331/6337=2 HB2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 98 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 86 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 100 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 96 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 93 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 95 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 89 0 - 9.9-14.9 HB3 LEU 70 - HE2 LYS 19 far 0 56 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 868 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.30 A): 14 out of 71 assignments used, quality = 1.00: HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 * HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.4 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.4 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.4 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 86 86 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 28 99 30 94 5.1-9.8 10825=33, 10825/1.8=22...(41) HB ILE 32 + HE2 LYS 31 OK 28 99 30 93 5.0-10.0 10825/1.8=29, 10825=25...(35) HB ILE 32 + HE2 LYS 26 OK 25 99 25 100 4.9-16.7 10833/3.0=78...(30) HB ILE 32 - HE3 LYS 26 far 15 99 15 - 4.6-16.1 HB3 ARG 23 - HE3 LYS 24 far 14 96 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 13 88 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 100 10 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 10 100 10 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 10 96 10 - 4.7-12.6 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.8-15.1 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.1-19.6 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.9-15.4 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB2 LYS 36 - HE3 LYS 26 far 5 99 5 - 6.2-21.3 HB3 LYS 26 - HE2 LYS 31 far 5 99 5 - 5.9-13.4 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.9-13.1 HB ILE 32 - HE2 LYS 36 far 5 96 5 - 4.4-10.1 HB3 ARG 23 - HE3 LYS 31 far 5 96 5 - 5.9-19.8 HB2 LYS 36 - HE2 LYS 26 far 0 99 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 94 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 99 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 63 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 98 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 99 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 92 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 87 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 96 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 92 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 97 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 92 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 96 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 64 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 98 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 60 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 61 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 869 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 3.93 A): 12 out of 62 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 2.0-4.2 4.0=96, 484/6.4=23...(17) HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-4.2 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 2.3-4.2 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 92 93 100 99 2.1-4.0 4.0=96, 484/6.4=23...(17) HG2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 2.4-3.1 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 69 70 100 99 2.1-4.0 4.0=95, 3.0/1064=28...(17) HG3 LYS 36 + HE2 LYS 36 OK 64 65 100 99 2.5-3.9 4.0=95, 3.0/1064=22...(17) HG13 ILE 32 + HE2 LYS 31 OK 23 100 30 78 2.7-10.2 10757/6.5=17...(19) HG13 ILE 32 - HE3 LYS 31 poor 20 100 20 - 3.5-9.5 QB ALA 34 - HE2 LYS 26 poor 15 75 20 - 3.0-18.9 HG13 ILE 32 - HE2 LYS 26 far 15 100 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 10 100 10 - 3.9-14.0 QB ALA 34 - HE3 LYS 26 far 7 75 10 - 2.6-18.8 HG2 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 99 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 99 5 - 4.4-11.8 QB ALA 34 - HE3 LYS 19 far 4 76 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 72 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 3 66 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 31 far 0 76 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 70 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 97 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 97 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 75 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 70 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 99 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 70 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 75 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 94 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 90 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 70 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 71 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 100 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 100 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 94 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 98 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 93 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 95 0 - 9.8-20.6 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 82 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.0-4.1 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-4.0 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 2.0-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 68 68 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 64 64 100 100 2.7-4.1 3.8=100 QB ALA 16 - HE2 LYS 19 poor 18 89 20 - 3.3-11.4 QB ALA 34 - HE2 LYS 26 poor 15 62 25 - 3.0-18.9 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 3.2-11.4 QB ALA 15 - HE2 LYS 19 far 14 96 15 - 2.1-11.2 QB ALA 16 - HE3 LYS 19 far 9 93 10 - 4.2-11.0 QB ALA 34 - HE3 LYS 26 far 9 62 15 - 2.6-18.8 QB ALA 28 - HE3 LYS 19 far 5 99 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 31 far 5 99 5 - 4.8-10.9 QB ALA 15 - HE2 LYS 31 far 5 99 5 - 4.7-19.7 HG3 LYS 26 - HE3 LYS 24 far 5 97 5 - 4.3-13.1 QB ALA 29 - HE2 LYS 31 far 5 97 5 - 4.7-10.3 HG2 LYS 24 - HE2 LYS 31 far 5 97 5 - 4.0-21.2 QB ALA 28 - HE2 LYS 19 far 5 96 5 - 2.2-17.8 QB ALA 29 - HE2 LYS 26 far 5 97 5 - 4.4-12.8 HG2 LYS 24 - HE3 LYS 31 far 5 96 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 5 96 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 5 96 5 - 4.8-12.5 QB ALA 16 - HE2 LYS 31 far 5 93 5 - 4.9-20.9 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 4.7-22.0 QB ALA 34 - HE3 LYS 19 far 3 63 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 59 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 3 54 5 - 4.5-27.4 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 98 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 97 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 98 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 5.3-10.3 QB ALA 34 - HE2 LYS 31 far 0 63 0 - 5.5-13.1 HG3 LYS 26 - HE2 LYS 31 far 0 98 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.7-10.5 QB ALA 34 - HE3 LYS 24 far 0 62 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 58 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 62 0 - 5.8-13.4 HG3 LYS 26 - HE2 LYS 24 far 0 90 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 95 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 90 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.2-20.2 QB ALA 34 - HE3 LYS 36 far 0 62 0 - 6.2-8.1 QB ALA 29 - HE2 LYS 36 far 0 93 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 94 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 89 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 67 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 67 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 97 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 92 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 59 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 97 0 - 7.1-23.8 HG3 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 84 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 67 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 91 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 97 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 68 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 92 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 67 0 - 8.4-18.7 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.6-15.3 HG3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-21.9 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 94 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 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 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 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 2.4-3.0 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 2.4-3.0 2.9=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 98 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 87 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 70 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 94 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 95 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 87 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 95 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 95 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 95 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 86 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 95 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 81 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 90 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.9-20.9 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 94 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 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 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 2.2-3.0 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 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-3.0 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 2.4-3.0 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.4-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 88 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 94 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 94 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 94 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 88 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 96 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 83 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 89 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-20.9 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): 9 out of 45 assignments used, quality = 1.00: * H LYS 31 + HE3 LYS 31 OK 100 100 100 100 4.3-6.8 6331/4.8=99, 6332/4.8=98...(53) H LYS 31 + HE2 LYS 31 OK 100 100 100 100 3.5-7.3 6331/4.8=99, 6332/4.8=98...(53) H SER 33 + HE2 LYS 36 OK 76 92 85 97 2.2-8.1 10855/3.0=63...(7) H ARG 23 + HE3 LYS 24 OK 72 92 85 92 2.8-9.2 6211/7.4=62, 832/4.0=36...(25) H SER 33 + HE3 LYS 36 OK 71 98 75 97 3.7-8.3 10855/3.0=63...(7) H ARG 23 + HE2 LYS 24 OK 54 79 75 91 3.4-9.4 6211/7.4=62, 832/4.0=36...(25) H SER 33 + HE3 LYS 31 OK 37 100 65 56 4.5-10.3 6361/10825=33...(4) H SER 33 + HE2 LYS 26 OK 34 100 45 75 2.0-19.6 6362/10757=47...(5) H SER 33 + HE2 LYS 31 OK 30 100 60 51 4.0-9.8 6361/10825=25...(5) H SER 33 - HE3 LYS 26 poor 19 100 35 53 2.8-18.5 6362/10757=29...(5) H ALA 29 - HE3 LYS 31 far 14 92 15 - 6.6-12.4 H GLU 30 - HE3 LYS 26 poor 12 60 20 - 5.7-13.9 H GLU 30 - HE2 LYS 31 poor 12 59 50 41 4.7-9.6 4.6/6337=30, 416/6.5=10 H ARG 23 - HE2 LYS 26 far 10 96 10 - 4.8-13.9 H ARG 23 - HE3 LYS 26 far 10 96 10 - 4.9-12.5 H ARG 23 - HE3 LYS 31 far 10 96 10 - 6.9-21.2 H ARG 23 - HE2 LYS 31 far 9 95 10 - 5.2-21.0 H GLU 30 - HE2 LYS 26 far 9 60 15 - 5.6-13.0 H GLU 30 - HE3 LYS 31 poor 8 60 35 40 6.2-9.4 4.6/6337=30, 416/6.5=10 H ALA 29 - HE3 LYS 26 poor 8 92 40 22 5.6-12.0 934/9008=9, 6337=2...(5) H ALA 29 - HE2 LYS 26 poor 7 92 30 24 5.3-12.7 934/9008=11, 821/3.6=2...(5) H LYS 31 - HE2 LYS 26 poor 6 100 25 25 4.7-14.2 10802/9008=13...(5) H LYS 31 - HE3 LYS 19 far 5 100 5 - 4.5-19.7 H SER 33 - HE3 LYS 19 far 5 100 5 - 6.6-21.3 H SER 33 - HE3 LYS 24 far 5 98 5 - 7.3-26.8 H LYS 31 - HE2 LYS 19 far 5 94 5 - 4.6-20.1 H ALA 29 - HE3 LYS 19 far 5 91 5 - 7.5-21.3 H LYS 31 - HE3 LYS 26 poor 5 100 20 22 4.0-15.4 10802/9008=10...(5) H SER 33 - HE2 LYS 24 far 4 87 5 - 5.6-26.4 H ALA 29 - HE2 LYS 19 far 4 82 5 - 6.3-21.9 H ALA 29 - HE2 LYS 24 far 4 75 5 - 7.5-18.4 H GLU 30 - HE3 LYS 19 far 3 59 5 - 6.0-20.2 H GLU 30 - HE2 LYS 19 far 3 52 5 - 5.0-20.3 H ALA 29 - HE2 LYS 31 lone 2 91 25 10 5.1-12.7 934/9008=7 H ARG 23 - HE3 LYS 19 far 0 95 0 - 7.9-11.9 H ALA 29 - HE3 LYS 24 far 0 88 0 - 7.9-18.5 H LYS 31 - HE2 LYS 36 far 0 92 0 - 8.1-13.1 H SER 33 - HE2 LYS 19 far 0 94 0 - 8.1-23.1 H LYS 31 - HE3 LYS 24 far 0 98 0 - 8.6-22.5 H ARG 23 - HE2 LYS 19 far 0 87 0 - 8.8-12.6 H GLU 30 - HE2 LYS 36 far 0 50 0 - 9.2-14.8 H LYS 31 - HE2 LYS 24 far 0 87 0 - 9.2-22.5 H GLU 30 - HE3 LYS 24 far 0 56 0 - 9.2-19.3 H GLU 30 - HE2 LYS 24 far 0 46 0 - 9.3-19.2 H LYS 31 - HE3 LYS 36 far 0 98 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 877 from cnoeabs.peaks (4.28, 2.97, 41.80 ppm; 5.54 A): 13 out of 90 assignments used, quality = 1.00: * HA LYS 31 + HE3 LYS 31 OK 99 100 100 99 2.6-6.0 6.5=63, 822/3.7=38...(28) HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 2.0-6.1 6.5=63, 822/3.7=38...(28) HA LYS 26 + HE3 LYS 26 OK 96 99 100 98 3.2-6.0 6.6=59, 627/3.6=35...(23) HA LYS 19 + HE3 LYS 19 OK 96 97 100 99 4.2-6.1 6.4=66, 627/3.8=31...(35) HA LYS 26 + HE2 LYS 26 OK 92 99 95 98 2.8-6.5 6.6=59, 627/3.6=35...(23) HA THR 25 + HE3 LYS 26 OK 88 93 95 99 3.2-7.5 11150/3.6=81, 9587=62...(13) HA LYS 36 + HE3 LYS 36 OK 88 98 90 100 4.7-6.5 6.0=80, 3.0/1064=46...(22) HA LYS 19 + HE2 LYS 19 OK 84 89 95 99 4.1-6.6 6.4=66, 627/3.8=31...(35) HA THR 25 + HE2 LYS 26 OK 83 93 90 99 2.8-7.9 11150/3.6=81...(13) HA LYS 36 + HE2 LYS 36 OK 78 92 85 100 5.6-6.5 6.0=80, 3.0/1064=37...(22) HA PHE 87 + HE3 LYS 86 OK 70 89 80 98 4.4-7.9 4.9/2704=69...(9) HA LEU 22 + HE3 LYS 24 OK 28 95 55 53 2.1-8.7 11967/4.0=16...(9) HA LEU 22 + HE2 LYS 24 OK 22 83 60 44 3.1-8.8 11967/4.0=16, 1018/4.0=9...(8) HA ARG 23 - HE3 LYS 24 poor 19 95 30 66 4.1-9.5 424/7.4=40, 1018/4.0=11...(11) HA THR 18 - HE3 LYS 19 poor 18 91 20 - 4.8-9.2 HA ALA 15 - HE2 LYS 19 poor 18 91 20 - 4.2-14.7 HA ALA 21 - HE3 LYS 24 poor 18 91 20 - 4.9-11.8 HA THR 25 - HE3 LYS 24 poor 18 89 20 - 4.8-9.1 HA ARG 23 - HE2 LYS 24 poor 17 83 30 67 4.5-9.3 424/7.4=40, 1018/4.0=11...(11) HA THR 25 - HE2 LYS 24 poor 15 76 20 - 6.1-9.0 HA ALA 21 - HE2 LYS 24 far 12 78 15 - 6.3-12.4 HA ARG 23 - HE2 LYS 26 far 10 98 10 - 3.6-11.8 HA ARG 23 - HE3 LYS 31 far 10 98 10 - 5.5-19.0 HA ALA 15 - HE3 LYS 19 far 10 98 10 - 5.6-14.5 HA ARG 23 - HE2 LYS 31 far 10 97 10 - 4.9-18.7 HA LYS 19 - HE3 LYS 24 far 9 94 10 - 4.4-14.4 HA THR 25 - HE3 LYS 31 far 9 93 10 - 4.9-17.1 HA THR 25 - HE2 LYS 31 far 9 92 10 - 5.1-18.0 HA THR 18 - HE2 LYS 19 far 8 82 10 - 6.1-8.5 HA LYS 19 - HE2 LYS 24 far 8 82 10 - 3.8-14.9 HA LYS 31 - HE3 LYS 26 far 5 100 5 - 4.7-17.0 HA LYS 31 - HE2 LYS 26 far 5 100 5 - 6.2-16.8 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 6.1-21.9 HA ARG 23 - HE3 LYS 26 far 5 98 5 - 3.1-11.4 HA LEU 22 - HE3 LYS 31 far 5 98 5 - 6.3-24.0 HA ALA 12 - HE3 LYS 19 far 5 98 5 - 6.0-19.5 HA LYS 19 - HE3 LYS 31 far 5 97 5 - 3.8-22.2 HA LEU 22 - HE2 LYS 31 far 5 97 5 - 4.9-22.6 HA LYS 19 - HE2 LYS 31 far 5 97 5 - 4.9-21.3 HA ALA 12 - HE2 LYS 19 far 5 91 5 - 5.8-19.1 HA SER 74 - HE2 LYS 19 far 4 84 5 - 5.0-34.2 HA THR 18 - HE2 LYS 24 far 4 75 5 - 5.8-15.2 HA ALA 16 - HE2 LYS 19 lone 2 94 35 6 3.7-12.6 7131/7.3=1 HA ALA 16 - HE3 LYS 19 lone 2 100 30 6 4.0-12.0 7131/7.3=1 HA LYS 26 - HE2 LYS 31 far 0 98 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 53 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 92 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 94 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 99 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 96 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 88 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 98 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 98 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 97 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 86 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 100 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 100 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 99 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 94 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 95 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 100 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 92 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 92 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 100 0 - 8.1-14.2 HA LYS 26 - HE2 LYS 19 far 0 91 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 90 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 100 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 100 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 95 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 83 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 91 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 97 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 85 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 98 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 94 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 98 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 98 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 100 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 87 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 95 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 76 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 89 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 99 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 98 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 92 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 99 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 97 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 86 0 - 10.0-41.1 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 50 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.0-4.7 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 99 99 100 100 2.0-5.1 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.0-4.4 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 94 94 100 100 1.9-5.1 ~11877=92, ~11243=91...(20) HB2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.8-5.4 5.1=100 HG3 ARG 90 + HE3 LYS 86 OK 71 90 80 99 2.9-9.3 9651/9655=89...(6) HB2 ARG 23 - HE2 LYS 24 poor 16 79 20 - 4.3-10.8 HB2 LYS 26 - HE2 LYS 31 far 15 98 15 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 15 98 15 - 6.6-21.4 HB2 ARG 23 - HE3 LYS 24 poor 14 92 30 52 4.4-10.1 834/4.0=8, 4.2/2703=8...(25) HB2 LYS 24 - HE3 LYS 31 far 10 100 10 - 5.0-19.9 HB2 LYS 24 - HE2 LYS 31 far 10 99 10 - 5.0-20.1 HB2 LYS 19 - HE3 LYS 31 far 10 99 10 - 5.1-22.2 HB2 LYS 26 - HE3 LYS 31 far 10 99 10 - 6.8-14.2 HB2 LYS 19 - HE3 LYS 24 far 10 96 10 - 6.2-16.4 HB2 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-13.6 HB2 ARG 23 - HE3 LYS 26 far 10 96 10 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.6-20.3 HB2 ARG 23 - HE2 LYS 31 far 9 95 10 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 19 far 9 95 10 - 5.8-12.3 HB2 LYS 19 - HE2 LYS 24 far 8 84 10 - 5.7-16.4 HB2 LYS 24 - HE3 LYS 26 poor 7 100 25 27 3.2-10.9 11151/9587=22 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 26 - HE3 LYS 24 far 5 96 5 - 6.0-13.1 HB2 LYS 31 - HE2 LYS 19 far 5 94 5 - 5.6-19.1 HB2 LYS 24 - HE2 LYS 26 lone 4 100 25 15 3.9-12.6 11151/9587=10 HB2 LYS 31 - HE2 LYS 26 lone 2 100 30 8 4.5-15.1 6331/6337=2 HB2 LYS 31 - HE3 LYS 26 lone 2 100 20 8 3.2-14.2 6331/6338=1 HB2 ARG 23 - HE2 LYS 19 far 0 87 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 84 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 99 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 93 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 87 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 89 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 92 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 88 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 92 0 - 9.7-25.4 HB2 LEU 43 - HE3 LYS 36 far 0 86 0 - 9.9-14.9 HB3 LEU 70 - HE2 LYS 19 far 0 52 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 879 from cnoeabs.peaks (1.81, 2.97, 41.80 ppm; 5.25 A): 14 out of 71 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 99 99 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 3.5-5.4 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.0-4.4 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 91 91 100 100 3.2-4.6 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.0-5.4 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 81 81 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 28 99 30 93 5.1-9.8 10825=31, 2.1/10840=22...(41) HB ILE 32 + HE2 LYS 31 OK 27 99 30 92 5.0-10.0 10825/1.8=29, 10825=23...(35) HB ILE 32 + HE2 LYS 26 OK 25 99 25 100 4.9-16.7 10833/3.0=77...(30) HB ILE 32 - HE3 LYS 26 far 15 99 15 - 4.6-16.1 HB3 ARG 23 - HE3 LYS 24 far 14 93 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 12 80 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 100 10 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 10 100 10 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 26 far 10 97 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 10 97 10 - 4.7-12.6 HB3 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.8-15.1 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.1-19.6 HB3 LYS 26 - HE2 LYS 31 far 5 98 5 - 5.9-13.4 HB3 LYS 19 - HE3 LYS 24 far 5 98 5 - 5.9-15.4 HB ILE 32 - HE3 LYS 36 far 5 97 5 - 6.1-10.4 HB3 ARG 23 - HE3 LYS 31 far 5 97 5 - 5.9-19.8 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 96 5 - 5.9-13.1 HB3 LYS 31 - HE2 LYS 19 far 5 94 5 - 5.4-20.0 HB ILE 32 - HE2 LYS 36 far 5 90 5 - 4.4-10.1 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 87 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 99 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 99 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 58 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 94 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 95 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 99 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 88 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 87 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 83 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 93 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 84 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 92 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 86 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 97 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 92 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 61 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 94 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 89 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 55 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 98 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 57 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 880 from cnoeabs.peaks (1.44, 2.97, 41.80 ppm; 3.92 A): 12 out of 62 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 2.3-4.2 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 96 98 100 98 2.0-4.2 4.0=95, 484/6.4=23...(17) HG3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-4.2 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 85 86 100 98 2.1-4.0 4.0=95, 484/6.4=23...(17) HG2 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.4-3.1 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 65 67 100 98 2.1-4.0 4.0=94, 3.0/1064=26...(17) HG3 LYS 36 + HE2 LYS 36 OK 59 60 100 98 2.5-3.9 4.0=94, 3.0/1064=21...(17) HG13 ILE 32 + HE2 LYS 31 OK 23 100 30 77 2.7-10.2 10757/6.5=17...(19) HG13 ILE 32 - HE3 LYS 31 poor 20 100 20 - 3.5-9.5 QB ALA 34 - HE2 LYS 26 poor 15 76 20 - 3.0-18.9 HG13 ILE 32 - HE2 LYS 26 far 15 100 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 10 100 10 - 3.9-14.0 QB ALA 34 - HE3 LYS 26 far 8 76 10 - 2.6-18.8 HG2 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.4-11.8 QB ALA 34 - HE3 LYS 19 far 4 75 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 66 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 3 59 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 71 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 95 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 91 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 72 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 64 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 76 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 71 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 72 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 87 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 83 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 70 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 98 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 94 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 98 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 86 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 87 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 98 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 93 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 89 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 88 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 90 0 - 9.8-20.6 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 82 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.1 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-4.0 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 2.0-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 80 80 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 67 67 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 59 59 100 100 2.7-4.1 3.8=100 QB ALA 16 - HE2 LYS 19 poor 17 84 20 - 3.3-11.4 QB ALA 15 - HE3 LYS 19 far 15 98 15 - 3.2-11.4 QB ALA 15 - HE2 LYS 19 far 14 91 15 - 2.1-11.2 QB ALA 34 - HE2 LYS 26 poor 13 63 20 - 3.0-18.9 QB ALA 34 - HE3 LYS 26 far 9 63 15 - 2.6-18.8 QB ALA 16 - HE3 LYS 19 far 9 92 10 - 4.2-11.0 QB ALA 28 - HE3 LYS 19 far 5 98 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 31 far 5 98 5 - 4.8-10.9 QB ALA 15 - HE2 LYS 31 far 5 98 5 - 4.7-19.7 QB ALA 29 - HE2 LYS 26 far 5 97 5 - 4.4-12.8 HG2 LYS 24 - HE3 LYS 31 far 5 97 5 - 4.3-21.5 QB ALA 29 - HE2 LYS 31 far 5 97 5 - 4.7-10.3 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 5 97 5 - 4.8-12.5 HG2 LYS 24 - HE2 LYS 31 far 5 96 5 - 4.0-21.2 HG3 LYS 26 - HE3 LYS 24 far 5 95 5 - 4.3-13.1 QB ALA 16 - HE3 LYS 31 far 5 93 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 5 92 5 - 4.9-20.9 QB ALA 28 - HE2 LYS 19 far 5 92 5 - 2.2-17.8 QB ALA 34 - HE3 LYS 19 far 3 62 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 54 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 2 48 5 - 4.5-27.4 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 99 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 97 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 99 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 5.3-10.3 QB ALA 34 - HE2 LYS 31 far 0 62 0 - 5.5-13.1 HG3 LYS 26 - HE2 LYS 31 far 0 97 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 99 0 - 5.7-10.5 QB ALA 34 - HE3 LYS 24 far 0 59 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 52 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 63 0 - 5.8-13.4 HG3 LYS 26 - HE2 LYS 24 far 0 83 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 92 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 84 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 99 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.2-20.2 QB ALA 34 - HE3 LYS 36 far 0 59 0 - 6.2-8.1 QB ALA 29 - HE2 LYS 36 far 0 87 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 87 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 94 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 82 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 68 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 89 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 68 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 94 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 84 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 53 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 97 0 - 7.1-23.8 HG3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 76 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 96 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 64 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 83 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 97 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 96 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 67 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 89 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 68 0 - 8.4-18.7 HG2 LYS 24 - HE3 LYS 19 far 0 96 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 88 0 - 9.6-15.3 HG3 LYS 26 - HE2 LYS 36 far 0 88 0 - 9.8-21.9 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 94 assignments used, quality = 1.00: * HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 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 2.4-3.0 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 2.4-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 88 88 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 87 87 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 86 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 79 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 66 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 89 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 66 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 92 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 79 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 91 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 90 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 90 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 83 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 92 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 75 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 83 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 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 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 2.2-3.0 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 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 88 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 89 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 89 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 77 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 82 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 884 from cnoeabs.peaks (2.96, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 98 98 - 100 HE3 LYS 24 + HE3 LYS 24 OK 98 98 - 100 HE3 LYS 86 + HE3 LYS 86 OK 95 95 - 100 HE2 LYS 19 + HE2 LYS 19 OK 92 92 - 100 HE2 LYS 36 + HE2 LYS 36 OK 89 89 - 100 HE2 LYS 24 + HE2 LYS 24 OK 83 83 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 885 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 * HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 86 + HE3 LYS 86 OK 93 93 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE2 LYS 36 + HE2 LYS 36 OK 87 87 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 Peak 887 from cnoeabs.peaks (8.14, 4.11, 61.16 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + HA ILE 32 OK 100 100 100 100 2.7-2.9 3.0=100 H LEU 22 - HA ILE 32 far 0 99 0 - 8.0-20.3 H ALA 15 - HA ILE 32 far 0 100 0 - 8.7-28.7 H ASP 71 - HA ILE 32 far 0 100 0 - 9.9-17.4 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 15 100 15 - 3.1-13.3 HB2 LYS 36 - HA ILE 32 far 10 100 10 - 3.6-7.8 HB3 LYS 31 - HA ILE 32 far 0 99 0 - 5.1-5.9 HB3 LYS 19 - HA ILE 32 far 0 99 0 - 7.2-17.9 HB3 ARG 23 - HA ILE 32 far 0 100 0 - 7.4-20.0 HB3 LYS 24 - HA ILE 32 far 0 100 0 - 7.5-21.1 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 2.1-2.7 904=100, 6362/6360=53...(33) QD2 LEU 22 - HA ILE 32 far 0 95 0 - 5.1-20.5 Violated in 0 structures by 0.00 A. Peak 891 from cnoeabs.peaks (1.16, 4.11, 61.16 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HA ILE 32 OK 100 100 100 100 2.3-2.9 912=100, 1.8/892=71...(27) QG2 THR 18 - HA ILE 32 far 0 98 0 - 5.3-19.6 QG2 THR 25 - HA ILE 32 far 0 71 0 - 5.4-14.8 QB ALA 41 - HA ILE 32 far 0 99 0 - 7.1-12.2 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 7 assignments used, quality = 1.00: * HG13 ILE 32 + HA ILE 32 OK 100 100 100 100 2.2-3.5 920=98, 1.8/891=79...(26) HG2 LYS 26 - HA ILE 32 far 15 99 15 - 2.0-15.3 HG3 LYS 36 - HA ILE 32 far 9 63 15 - 4.2-9.9 HG2 LYS 31 - HA ILE 32 far 5 100 5 - 4.4-6.8 QB ALA 34 - HA ILE 32 far 0 83 0 - 4.8-7.3 HG3 LYS 19 - HA ILE 32 far 0 100 0 - 7.0-20.0 HG3 LYS 24 - HA ILE 32 far 0 99 0 - 8.0-22.4 Violated in 1 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 3.3-3.9 928=100, 2.1/891=78...(26) QD1 ILE 37 - HA ILE 32 far 0 100 0 - 5.3-6.9 Violated in 18 structures by 0.10 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 2.3-2.5 6360=100, 6361/3.0=37...(18) H LYS 31 - HA ILE 32 far 0 100 0 - 4.1-5.4 H ALA 29 - HA ILE 32 far 0 90 0 - 5.7-8.7 H ARG 23 - HA ILE 32 far 0 95 0 - 9.2-21.6 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 4 assignments used, quality = 1.00: * H ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-2.9 6352=100, 6353/2.1=57...(25) H ASP 71 - HB ILE 32 far 0 100 0 - 8.1-17.8 H LEU 22 - HB ILE 32 far 0 99 0 - 8.9-21.4 H ALA 15 - HB ILE 32 far 0 100 0 - 9.6-29.1 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 - 5.2-21.2 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 4 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 100 100 2.4-3.0 2.9=100 QG2 THR 25 - HB ILE 32 far 0 71 0 - 5.6-14.9 QG2 THR 18 - HB ILE 32 far 0 98 0 - 7.6-22.0 QB ALA 41 - HB ILE 32 far 0 99 0 - 7.8-11.6 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 6 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 26 - HB ILE 32 far 0 99 0 - 4.2-14.8 QB ALA 34 - HB ILE 32 far 0 83 0 - 4.5-7.8 HG3 LYS 36 - HB ILE 32 far 0 63 0 - 5.4-9.2 HG3 LYS 19 - HB ILE 32 far 0 100 0 - 6.2-22.5 HG2 LYS 31 - HB ILE 32 far 0 100 0 - 6.5-8.3 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 2.4-2.8 3.2=100 QD1 ILE 37 - HB ILE 32 far 0 100 0 - 5.5-7.2 Violated in 0 structures by 0.00 A. Peak 902 from cnoeabs.peaks (8.23, 1.82, 38.56 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * H SER 33 + HB ILE 32 OK 100 100 100 100 3.2-4.0 6361=100, 6362/2.1=74...(18) H ALA 29 - HB ILE 32 far 14 90 15 - 4.3-7.7 H LYS 31 - HB ILE 32 far 5 100 5 - 4.3-5.8 H ARG 23 - HB ILE 32 far 0 95 0 - 9.5-22.8 Violated in 7 structures by 0.06 A. Peak 903 from cnoeabs.peaks (8.14, 0.85, 17.13 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + QG2 ILE 32 OK 100 100 100 100 3.6-3.9 6353=100, 6352/2.1=81...(20) H LEU 22 - QG2 ILE 32 far 0 99 0 - 5.5-18.3 H ASP 71 - QG2 ILE 32 far 0 100 0 - 5.9-14.4 H ALA 15 - QG2 ILE 32 far 0 100 0 - 6.1-24.5 Violated in 20 structures by 0.30 A. Peak 904 from cnoeabs.peaks (4.11, 0.85, 17.13 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.1-2.7 890=96, 6360/6362=50...(33) HA CYS 45 - QG2 ILE 32 far 0 95 0 - 8.5-16.5 HA CYS 79 - QG2 ILE 32 far 0 100 0 - 9.1-13.9 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 5 100 5 - 2.4-6.3 HB3 LYS 26 - QG2 ILE 32 far 5 100 5 - 3.4-11.8 HB3 LYS 19 - QG2 ILE 32 far 0 99 0 - 4.5-16.9 HB3 LYS 24 - QG2 ILE 32 far 0 100 0 - 6.5-18.1 HB3 LYS 31 - QG2 ILE 32 far 0 99 0 - 6.5-7.1 HB3 ARG 23 - QG2 ILE 32 far 0 100 0 - 6.8-17.7 HB2 CYS 79 - QG2 ILE 32 far 0 81 0 - 9.4-12.4 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 4 assignments used, quality = 1.00: * HG12 ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.5-3.2 3.2=69, 2.1/930=63...(27) QG2 THR 25 - QG2 ILE 32 far 0 71 0 - 4.2-12.5 QB ALA 41 - QG2 ILE 32 far 0 99 0 - 4.8-9.4 QG2 THR 18 - QG2 ILE 32 far 0 98 0 - 5.4-17.8 Violated in 2 structures by 0.02 A. Peak 908 from cnoeabs.peaks (1.44, 0.85, 17.13 ppm; 2.96 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.6-3.2 3.2=80, 1.8/907=71...(28) QB ALA 34 + QG2 ILE 32 OK 57 83 85 80 2.5-5.7 6364/6362=34...(10) HG2 LYS 26 - QG2 ILE 32 poor 20 99 20 - 2.7-13.4 HG3 LYS 36 - QG2 ILE 32 far 6 63 10 - 2.4-8.0 HG3 LYS 19 - QG2 ILE 32 far 5 100 5 - 3.8-18.6 HG2 LYS 31 - QG2 ILE 32 far 0 100 0 - 5.7-7.9 HG3 LYS 24 - QG2 ILE 32 far 0 99 0 - 7.1-19.4 Violated in 4 structures by 0.03 A. Peak 909 from cnoeabs.peaks (0.78, 0.85, 17.13 ppm; 2.92 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.7-1.9 930=100, 2.1/907=63...(31) QD1 ILE 37 - QG2 ILE 32 far 15 100 15 - 3.2-5.3 QD2 LEU 49 - QG2 ILE 32 far 0 83 0 - 8.7-16.8 QG1 VAL 63 - QG2 ILE 32 far 0 99 0 - 9.5-17.2 QD1 LEU 96 - QG2 ILE 32 far 0 100 0 - 9.8-16.4 QD2 LEU 96 - QG2 ILE 32 far 0 63 0 - 9.9-15.6 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 1.7-1.9 6362=100, 6361/2.1=71...(22) H ALA 29 - QG2 ILE 32 far 0 90 0 - 4.5-7.1 H LYS 31 - QG2 ILE 32 far 0 100 0 - 5.3-6.1 H ARG 23 - QG2 ILE 32 far 0 95 0 - 6.2-19.2 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 4 assignments used, quality = 1.00: * H ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.4-3.3 6354=100, 6345/1.8=74...(28) H LEU 22 - HG12 ILE 32 far 0 99 0 - 7.3-18.9 H ALA 15 - HG12 ILE 32 far 0 100 0 - 8.2-26.9 H ASP 71 - HG12 ILE 32 far 0 100 0 - 9.1-19.8 Violated in 0 structures by 0.00 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 2.3-2.9 891=100, 892/1.8=71...(27) Violated in 0 structures by 0.00 A. Peak 913 from cnoeabs.peaks (1.82, 1.16, 27.21 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 26 - HG12 ILE 32 far 15 100 15 - 3.3-11.4 HB2 LYS 36 - HG12 ILE 32 far 0 100 0 - 4.9-9.6 HB3 LYS 19 - HG12 ILE 32 far 0 99 0 - 4.9-18.7 HB3 LYS 31 - HG12 ILE 32 far 0 99 0 - 5.2-6.7 HB3 ARG 23 - HG12 ILE 32 far 0 100 0 - 5.5-18.6 HB3 LYS 24 - HG12 ILE 32 far 0 100 0 - 6.7-19.0 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 2.5-3.2 3.2=100 QD2 LEU 22 - HG12 ILE 32 far 5 95 5 - 3.1-19.1 Violated in 0 structures by 0.00 A. Peak 915 from cnoeabs.peaks (1.16, 1.16, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 32 + HG12 ILE 32 OK 100 100 - 100 Peak 916 from cnoeabs.peaks (1.44, 1.16, 27.21 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + HG12 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 26 - HG12 ILE 32 far 10 99 10 - 2.5-13.2 HG3 LYS 36 - HG12 ILE 32 far 0 63 0 - 4.1-11.8 HG2 LYS 31 - HG12 ILE 32 far 0 100 0 - 4.5-8.1 QB ALA 34 - HG12 ILE 32 far 0 83 0 - 5.3-9.0 HG3 LYS 19 - HG12 ILE 32 far 0 100 0 - 5.4-19.8 HG3 LYS 24 - HG12 ILE 32 far 0 99 0 - 7.8-20.5 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 - 6.3-8.7 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 4.2-4.6 6363=100, 6360/891=89...(16) H LYS 31 + HG12 ILE 32 OK 98 100 100 98 3.7-5.2 4.7/6354=57...(17) H ALA 29 + HG12 ILE 32 OK 45 90 50 100 3.4-6.4 2.9/10738=66, ~11488=50...(29) H ARG 23 - HG12 ILE 32 far 0 95 0 - 8.1-20.1 Violated in 0 structures by 0.00 A. Peak 919 from cnoeabs.peaks (8.14, 1.44, 27.21 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.8-3.7 6355=100, 6354/1.8=76...(26) H LEU 22 - HG13 ILE 32 far 0 99 0 - 8.9-19.1 H ASP 71 - HG13 ILE 32 far 0 100 0 - 9.1-20.0 H ALA 15 - HG13 ILE 32 far 0 100 0 - 9.7-26.9 Violated in 1 structures by 0.02 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 2.2-3.5 892=100, 891/1.8=80...(26) 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 7 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 26 - HG13 ILE 32 far 5 100 5 - 3.5-10.8 HB3 LYS 31 - HG13 ILE 32 far 0 99 0 - 5.0-7.3 HB3 LYS 19 - HG13 ILE 32 far 0 99 0 - 5.4-19.7 HB3 ARG 23 - HG13 ILE 32 far 0 100 0 - 6.1-19.3 HB2 LYS 36 - HG13 ILE 32 far 0 100 0 - 6.1-8.9 HB3 LYS 24 - HG13 ILE 32 far 0 100 0 - 8.3-19.3 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 2.6-3.2 3.2=100 QD2 LEU 22 - HG13 ILE 32 far 5 95 5 - 4.1-19.2 Violated in 0 structures by 0.00 A. Peak 923 from cnoeabs.peaks (1.16, 1.44, 27.21 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 25 - HG13 ILE 32 far 0 71 0 - 6.1-13.1 QG2 THR 18 - HG13 ILE 32 far 0 98 0 - 7.4-21.8 QB ALA 41 - HG13 ILE 32 far 0 99 0 - 8.0-13.6 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 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 926 from cnoeabs.peaks (8.23, 1.44, 27.21 ppm; 4.18 A): 3 out of 4 assignments used, quality = 1.00: H LYS 31 + HG13 ILE 32 OK 99 100 100 99 2.8-4.9 4.7/6355=50...(12) * H SER 33 + HG13 ILE 32 OK 95 100 95 100 3.3-5.1 6360/892=84, 6361/2.9=83...(15) H ALA 29 + HG13 ILE 32 OK 77 90 85 100 2.8-5.6 ~11488=46, ~10739=46...(31) H ARG 23 - HG13 ILE 32 far 0 95 0 - 8.9-20.6 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 4 assignments used, quality = 1.00: * H ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.5-4.1 6356=100, 6354/2.1=90...(24) H ASP 71 - QD1 ILE 32 far 0 100 0 - 5.8-17.0 H LEU 22 - QD1 ILE 32 far 0 99 0 - 5.9-16.6 H ALA 15 - QD1 ILE 32 far 0 100 0 - 6.6-23.1 Violated in 1 structures by 0.00 A. Peak 928 from cnoeabs.peaks (4.11, 0.78, 12.54 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.3-3.9 893=100, 891/2.1=77...(26) HA CYS 45 - QD1 ILE 32 far 0 95 0 - 7.5-18.9 Violated in 18 structures by 0.13 A. Peak 929 from cnoeabs.peaks (1.82, 0.78, 12.54 ppm; 3.11 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.4-2.8 3.2=89, 2.1/930=73...(30) HB3 LYS 26 - QD1 ILE 32 far 15 100 15 - 1.9-9.5 HB3 LYS 19 - QD1 ILE 32 far 5 99 5 - 2.7-17.6 HB2 LYS 36 - QD1 ILE 32 far 0 100 0 - 4.7-8.1 HB3 ARG 23 - QD1 ILE 32 far 0 100 0 - 5.3-16.1 HB3 LYS 31 - QD1 ILE 32 far 0 99 0 - 5.8-7.6 HB3 LYS 24 - QD1 ILE 32 far 0 100 0 - 5.9-15.9 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 4 assignments used, quality = 1.00: * QG2 ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.7-1.9 909=78, 907/2.1=54...(31) QD2 LEU 22 - QD1 ILE 32 far 5 95 5 - 2.1-16.4 QD2 LEU 70 - QD1 ILE 32 far 0 100 0 - 8.4-17.4 QD2 LEU 69 - QD1 ILE 32 far 0 92 0 - 8.4-16.4 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 4 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 4 71 5 - 3.5-10.5 QB ALA 41 - QD1 ILE 32 far 0 99 0 - 5.3-11.3 QG2 THR 18 - QD1 ILE 32 far 0 98 0 - 6.1-18.9 Violated in 0 structures by 0.00 A. Peak 932 from cnoeabs.peaks (1.44, 0.78, 12.54 ppm; 2.82 A): 1 out of 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 poor 11 99 35 31 1.9-11.0 1.8/10704=10, 3.6/9008=7...(7) HG3 LYS 19 - QD1 ILE 32 far 5 100 5 - 3.0-17.6 QB ALA 34 - QD1 ILE 32 far 4 83 5 - 3.2-8.0 HG3 LYS 36 - QD1 ILE 32 far 3 63 5 - 3.5-10.0 HG2 LYS 31 - QD1 ILE 32 far 0 100 0 - 5.3-8.4 HG3 LYS 24 - QD1 ILE 32 far 0 99 0 - 7.0-17.4 Violated in 0 structures by 0.00 A. Peak 933 from cnoeabs.peaks (0.78, 0.78, 12.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 32 + QD1 ILE 32 OK 100 100 - 100 Peak 934 from cnoeabs.peaks (8.23, 0.78, 12.54 ppm; 4.12 A): 3 out of 4 assignments used, quality = 1.00: * H SER 33 + QD1 ILE 32 OK 100 100 100 100 3.9-4.6 6360/928=82, 6362/930=82...(18) H ALA 29 + QD1 ILE 32 OK 90 90 100 100 2.0-4.4 2.9/10739=79...(23) H LYS 31 + QD1 ILE 32 OK 66 100 70 94 4.3-5.5 4.7/6356=45, 6333/2.1=31...(16) H ARG 23 - QD1 ILE 32 far 0 95 0 - 6.1-17.4 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 4 assignments used, quality = 1.00: * H SER 33 + HA SER 33 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 107 + HA SER 107 OK 89 89 100 100 2.3-2.9 3.0=100 H LYS 31 - HA SER 33 far 0 100 0 - 7.3-8.0 H ALA 29 - HA SER 33 far 0 90 0 - 8.1-12.0 Violated in 0 structures by 0.00 A. Peak 936 from cnoeabs.peaks (4.40, 4.40, 58.29 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 33 + HA SER 33 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 85 85 - 100 Peak 937 from cnoeabs.peaks (3.91, 4.40, 58.29 ppm; 3.24 A): 2 out of 11 assignments used, quality = 1.00: * HB2 SER 33 + HA SER 33 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 107 + HA SER 107 OK 83 83 100 100 2.3-3.0 3.0=100 HA2 GLY 111 - HA SER 107 far 3 68 5 - 4.0-11.1 HB2 SER 60 - HA SER 107 far 0 89 0 - 4.8-11.3 HB3 SER 60 - HA SER 107 far 0 89 0 - 5.7-11.4 HA2 GLY 114 - HA SER 107 far 0 48 0 - 7.1-15.8 HA3 GLY 14 - HA SER 9 far 0 98 0 - 7.9-17.4 HA2 GLY 14 - HA SER 9 far 0 98 0 - 8.4-17.2 HA ALA 41 - HA SER 33 far 0 100 0 - 8.6-13.1 HA3 GLY 75 - HA SER 33 far 0 99 0 - 8.6-13.1 HD3 PRO 113 - HA SER 107 far 0 55 0 - 9.5-14.1 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 2.6-3.0 3.0=100 HD2 PRO 117 - HA SER 107 far 0 86 0 - 6.8-14.8 HA LEU 62 - HA SER 107 far 0 88 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (8.43, 4.40, 58.29 ppm; 2.66 A): 1 out of 5 assignments used, quality = 0.96: * H ALA 34 + HA SER 33 OK 96 100 100 96 2.7-3.5 6372=56, 6369/3.0=36...(17) H MET 11 - HA SER 9 far 4 84 5 - 3.3-6.6 H ASN 116 - HA SER 107 far 0 77 0 - 5.1-13.2 H ASN 13 - HA SER 9 far 0 99 0 - 7.4-13.0 H ALA 12 - HA SER 9 far 0 94 0 - 7.8-9.8 Violated in 20 structures by 0.73 A. Peak 940 from cnoeabs.peaks (8.23, 3.91, 63.71 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * H SER 33 + HB2 SER 33 OK 100 100 100 100 2.5-3.3 6367=100, 945/1.8=82...(12) H SER 107 + HB2 SER 107 OK 78 87 100 90 2.3-4.0 4.1=70, 7554/7556=40...(5) H LYS 31 - HB2 SER 33 far 0 100 0 - 7.1-8.7 H ALA 29 - HB2 SER 33 far 0 90 0 - 9.5-12.8 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 6 assignments used, quality = 1.00: * HA SER 33 + HB2 SER 33 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 107 + HB2 SER 107 OK 83 83 100 100 2.3-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 0 56 0 - 7.6-16.4 HA VAL 112 - HB2 SER 107 far 0 56 0 - 8.0-14.1 HA THR 115 - HB2 SER 107 far 0 87 0 - 8.2-18.8 HA ASP 71 - HB2 SER 33 far 0 85 0 - 8.2-12.8 Violated in 0 structures by 0.00 A. Peak 942 from cnoeabs.peaks (3.91, 3.91, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 33 + HB2 SER 33 OK 100 100 - 100 HB2 SER 107 + HB2 SER 107 OK 81 81 - 100 Peak 943 from cnoeabs.peaks (3.85, 3.91, 63.71 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 33 + HB2 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HB2 SER 107 far 0 84 0 - 6.9-17.0 HA LEU 62 - HB2 SER 107 far 0 86 0 - 8.3-15.9 Violated in 0 structures by 0.00 A. Peak 944 from cnoeabs.peaks (8.43, 3.91, 63.71 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 34 + HB2 SER 33 OK 100 100 100 100 2.6-3.6 6373=95, 949/1.8=73...(13) H ASN 116 - HB2 SER 107 far 0 75 0 - 5.0-15.3 H SER 74 - HB2 SER 33 far 0 71 0 - 10.0-14.3 Violated in 1 structures by 0.00 A. Peak 945 from cnoeabs.peaks (8.23, 3.85, 63.71 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * H SER 33 + HB3 SER 33 OK 100 100 100 100 3.3-3.9 6368=99, 6367/1.8=72...(11) H LYS 31 - HB3 SER 33 far 0 100 0 - 7.3-9.5 Violated in 20 structures by 0.29 A. Peak 946 from cnoeabs.peaks (4.40, 3.85, 63.71 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 33 + HB3 SER 33 OK 100 100 100 100 2.6-3.0 3.0=93, 937/1.8=43...(15) HA ASP 71 - HB3 SER 33 far 0 85 0 - 7.4-12.2 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 5 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 - 6.7-11.4 HA ALA 41 - HB3 SER 33 far 0 100 0 - 8.4-13.2 HA3 GLY 14 - HB3 SER 33 far 0 99 0 - 9.5-32.4 HA2 GLY 14 - HB3 SER 33 far 0 99 0 - 10.0-32.3 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 2 assignments used, quality = 1.00: * H ALA 34 + HB3 SER 33 OK 100 100 100 100 1.9-3.7 944/1.8=71, 939/946=68...(16) H SER 74 - HB3 SER 33 far 0 71 0 - 9.1-13.8 Violated in 4 structures by 0.02 A. Peak 950 from cnoeabs.peaks (8.43, 4.22, 53.50 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 34 + HA ALA 34 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 74 - HA ALA 34 far 0 71 0 - 8.1-11.3 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 6 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 19 - HA ALA 34 far 0 71 0 - 5.6-25.7 QB ALA 16 - HA ALA 34 far 0 93 0 - 5.7-26.7 HG2 LYS 26 - HA ALA 34 far 0 93 0 - 5.9-21.5 HG13 ILE 32 - HA ALA 34 far 0 83 0 - 6.8-9.6 HG3 LYS 31 - HA ALA 34 far 0 63 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 953 from cnoeabs.peaks (8.38, 4.22, 53.50 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 35 + HA ALA 34 OK 100 100 100 100 3.2-3.5 6380=100, 6381/2.1=82...(9) H LYS 26 - HA ALA 34 far 0 90 0 - 7.2-20.9 H SER 74 - HA ALA 34 far 0 81 0 - 8.1-11.3 H GLN 27 - HA ALA 34 far 0 100 0 - 9.6-17.8 Violated in 8 structures by 0.01 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 2.0-2.4 6376=100, 6369/6364=22...(10) H ASN 13 - QB ALA 16 far 0 53 0 - 5.0-11.4 H ALA 34 - QB ALA 16 far 0 54 0 - 5.6-24.8 H MET 11 - QB ALA 16 far 0 40 0 - 6.1-14.9 H ALA 12 - QB ALA 16 far 0 47 0 - 7.3-12.3 H SER 74 - QB ALA 34 far 0 71 0 - 7.3-11.1 H SER 74 - QB ALA 16 far 0 31 0 - 7.4-30.1 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 13 assignments used, quality = 1.00: * HA ALA 34 + QB ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 38 - QB ALA 34 far 0 100 0 - 4.1-9.0 HB THR 25 - QB ALA 34 far 0 76 0 - 4.6-20.1 HA ALA 34 - QB ALA 16 far 0 54 0 - 5.7-26.7 HA ALA 29 - QB ALA 34 far 0 100 0 - 6.1-11.7 HA ALA 29 - QB ALA 16 far 0 53 0 - 7.4-21.9 HA ALA 28 - QB ALA 34 far 0 95 0 - 7.8-15.3 HA GLN 27 - QB ALA 34 far 0 85 0 - 8.2-16.8 HA ALA 28 - QB ALA 16 far 0 47 0 - 8.5-21.4 HA GLU 30 - QB ALA 16 far 0 54 0 - 8.6-21.9 HA SER 94 - QB ALA 16 far 0 51 0 - 9.0-35.6 HA GLN 27 - QB ALA 16 far 0 40 0 - 9.1-20.0 HA GLU 30 - QB ALA 34 far 0 100 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 956 from cnoeabs.peaks (1.42, 1.42, 18.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 34 + QB ALA 34 OK 100 100 - 100 QB ALA 16 + QB ALA 16 OK 46 46 - 100 Peak 957 from cnoeabs.peaks (8.38, 1.42, 18.75 ppm; 3.60 A): 1 out of 13 assignments used, quality = 1.00: * H ASP 35 + QB ALA 34 OK 100 100 100 100 2.6-3.4 6381=100, 6380/2.1=81...(11) H GLY 14 - QB ALA 16 far 2 38 5 - 3.8-7.6 H LYS 26 - QB ALA 34 far 0 90 0 - 4.6-19.2 H ASP 35 - QB ALA 16 far 0 54 0 - 5.0-26.3 H MET 11 - QB ALA 16 far 0 29 0 - 6.1-14.9 H GLN 27 - QB ALA 34 far 0 100 0 - 6.7-16.5 H GLY 14 - QB ALA 34 far 0 83 0 - 7.1-29.7 H SER 74 - QB ALA 34 far 0 81 0 - 7.3-11.1 H LYS 24 - QB ALA 16 far 0 42 0 - 7.3-14.5 H LYS 24 - QB ALA 34 far 0 89 0 - 7.4-23.4 H SER 74 - QB ALA 16 far 0 37 0 - 7.4-30.1 H GLN 27 - QB ALA 16 far 0 54 0 - 9.8-19.0 H LYS 26 - QB ALA 16 far 0 43 0 - 9.9-19.6 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 2.9-2.9 3.0=100 H LYS 26 - HA ASP 35 far 0 90 0 - 8.2-22.0 H LYS 24 - HA ASP 35 far 0 89 0 - 9.3-27.2 H GLN 27 - HA ASP 35 far 0 100 0 - 9.9-19.3 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 2.6-2.9 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 2.4-2.9 3.0=100 HB2 TYR 76 - HA ASP 35 far 0 98 0 - 8.6-12.4 HB3 ASP 78 - HA ASP 35 far 0 96 0 - 9.4-17.1 Violated in 0 structures by 0.00 A. Peak 962 from cnoeabs.peaks (8.00, 4.52, 54.77 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HA ASP 35 OK 100 100 100 100 3.3-3.3 6388=100, 6385/3.0=56...(14) H SER 38 - HA ASP 35 far 9 93 10 - 3.9-8.4 H ILE 37 - HA ASP 35 far 3 60 5 - 4.1-5.1 Violated in 5 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 2.1-3.1 6383=100, 6385/6389=55...(5) H LYS 26 - HB2 ASP 35 far 0 90 0 - 6.3-21.4 H GLN 27 - HB2 ASP 35 far 0 100 0 - 7.2-17.7 H LYS 24 - HB2 ASP 35 far 0 89 0 - 9.0-25.8 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 2.6-2.9 3.0=100 HA SER 38 - HB2 ASP 35 far 0 89 0 - 8.0-10.5 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 3.6-4.2 6389=100, 6390/1.8=83...(5) H ILE 37 - HB2 ASP 35 far 0 60 0 - 5.4-6.3 H SER 38 - HB2 ASP 35 far 0 93 0 - 6.0-10.3 Violated in 1 structures by 0.00 A. Peak 968 from cnoeabs.peaks (8.38, 2.75, 40.19 ppm; 3.91 A): 2 out of 11 assignments used, quality = 1.00: * H ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.2-3.6 6383/1.8=94, 4.0=90...(7) H THR 65 + HB2 ASP 64 OK 62 64 100 98 2.4-4.2 6840/1.8=69, 4.6=62...(9) H LYS 26 - HB2 ASP 64 far 0 53 0 - 5.5-33.9 H LYS 26 - HB3 ASP 35 far 0 90 0 - 6.4-20.8 H LYS 24 - HB3 ASP 35 far 0 89 0 - 7.6-26.0 H GLN 27 - HB3 ASP 35 far 0 100 0 - 7.8-17.7 H GLN 27 - HB2 ASP 64 far 0 65 0 - 8.5-31.7 H SER 74 - HB3 ASP 78 far 0 39 0 - 8.7-10.6 H LYS 24 - HB2 ASP 64 far 0 52 0 - 9.1-35.5 H MET 11 - HB2 ASP 64 far 0 36 0 - 9.6-46.5 H ASP 35 - HB3 ASP 78 far 0 56 0 - 9.9-17.0 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 3 assignments used, quality = 1.00: * HA ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.4-2.9 3.0=100 HA SER 38 - HB3 ASP 35 far 0 89 0 - 8.2-10.3 HA ASP 35 - HB3 ASP 78 far 0 56 0 - 9.4-17.1 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 4 assignments used, quality = 1.00: * H LYS 36 + HB3 ASP 35 OK 100 100 100 100 3.6-4.4 6390=100, 6389/1.8=89...(6) H ILE 37 - HB3 ASP 35 far 0 60 0 - 5.7-6.3 H SER 38 - HB3 ASP 35 far 0 93 0 - 6.2-10.2 H THR 18 - HB3 ASP 35 far 0 76 0 - 9.3-28.4 Violated in 1 structures by 0.00 A. Peak 973 from cnoeabs.peaks (8.00, 4.27, 56.84 ppm; 3.35 A): 2 out of 8 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 95 3.4-3.6 3.6=82, 6405/3.0=22...(10) H SER 38 - HA LYS 36 far 9 93 10 - 3.7-6.4 H THR 18 - HA LYS 19 far 2 46 5 - 4.1-5.3 H LYS 36 - HA LYS 19 far 0 71 0 - 8.1-25.5 H LYS 36 - HA LYS 31 far 0 58 0 - 8.7-10.4 H ILE 37 - HA LYS 19 far 0 35 0 - 8.9-25.9 H THR 18 - HA LYS 31 far 0 37 0 - 9.1-23.9 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 23 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LYS 26 + HA LYS 26 OK 82 82 100 100 2.3-2.6 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 2.3-2.7 3.0=100 HB3 ARG 23 - HA LYS 26 far 4 81 5 - 4.3-10.0 HB3 LYS 26 - HA LYS 31 far 0 58 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 82 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 58 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 70 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 81 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 69 0 - 5.7-18.7 HB3 ARG 23 - HA LYS 19 far 0 69 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 81 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 100 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 58 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 70 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 83 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.8-20.0 HB3 LYS 19 - HA LYS 31 far 0 57 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 70 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 78 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 71 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 58 0 - 9.3-20.9 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 3 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 GLU 40 - HA LYS 36 far 0 92 0 - 6.1-12.1 HB3 LYS 36 - HA LYS 31 far 0 58 0 - 7.4-11.0 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 34 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 99 100 100 99 2.9-3.8 4.1=69, 6394/3.0=56...(29) HG3 LYS 26 + HA LYS 26 OK 82 83 100 100 2.5-3.8 4.0=73, 6253/2.9=58...(31) HG2 LYS 19 + HA LYS 19 OK 57 58 100 99 3.5-3.7 4.2=67, 6151/3.0=36...(40) HG3 LYS 31 + HA LYS 31 OK 53 54 100 99 2.1-3.7 3.8=88, 1.8/822=30...(22) QB ALA 28 - HA LYS 26 far 4 82 5 - 4.5-7.6 HG2 LYS 24 - HA LYS 19 far 4 70 5 - 4.2-13.3 QB ALA 28 - HA LYS 19 far 4 70 5 - 4.2-16.4 HG3 LYS 31 - HA LYS 19 far 3 65 5 - 3.8-19.8 HG3 LYS 31 - HA LYS 26 far 0 77 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 70 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 100 0 - 4.9-11.6 QB ALA 29 - HA LYS 26 far 0 83 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 44 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 36 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 58 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 58 0 - 5.8-7.6 HG3 LYS 26 - HA LYS 31 far 0 58 0 - 6.6-15.0 QB ALA 12 - HA LYS 19 far 0 50 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 58 0 - 6.9-20.8 HG2 LYS 24 - HA LYS 26 far 0 83 0 - 7.2-9.6 QB ALA 29 - HA LYS 19 far 0 71 0 - 7.3-18.3 QB ALA 15 - HA LYS 31 far 0 58 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 54 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 100 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 82 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 73 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 70 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 58 0 - 8.4-12.7 HG2 LYS 19 - HA LYS 26 far 0 69 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 100 0 - 8.8-20.2 HG2 LYS 19 - HA LYS 31 far 0 47 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 100 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 97 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 40 0 - 9.8-28.1 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 17 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.5-3.8 4.1=100 HG3 LYS 19 + HA LYS 19 OK 46 46 100 100 3.8-4.2 4.2=100 HG2 LYS 31 + HA LYS 31 OK 34 34 100 100 2.2-4.2 3.8=100 HG13 ILE 32 - HA LYS 31 poor 18 30 60 - 4.5-6.4 HG2 LYS 31 - HA LYS 19 far 2 43 5 - 3.6-20.1 HG2 LYS 31 - HA LYS 26 far 0 52 0 - 5.2-13.1 HG13 ILE 32 - HA LYS 26 far 0 45 0 - 5.4-12.6 HG3 LYS 24 - HA LYS 19 far 0 50 0 - 5.7-13.9 HG3 LYS 24 - HA LYS 26 far 0 60 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 37 0 - 7.5-22.0 HG3 LYS 36 - HA LYS 31 far 0 58 0 - 7.6-11.7 HG3 LYS 24 - HA LYS 31 far 0 40 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 56 0 - 8.0-16.1 HG2 LYS 31 - HA LYS 36 far 0 71 0 - 8.1-14.6 HG13 ILE 32 - HA LYS 36 far 0 63 0 - 8.4-11.2 HG LEU 42 - HA LYS 36 far 0 83 0 - 8.6-13.2 HG3 LYS 19 - HA LYS 31 far 0 37 0 - 9.3-20.3 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 36 assignments used, quality = 1.00: HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 4.1-5.2 5.3=65, 1042/3.0=41...(30) * HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.2-5.0 5.3=65, 1042/3.0=41...(30) HD3 LYS 26 + HA LYS 26 OK 75 75 100 100 2.5-5.2 5.0=78, ~6253=40...(32) HD2 LYS 26 + HA LYS 26 OK 73 77 95 100 3.8-5.5 5.0=78, ~6253=40...(32) HD2 LYS 31 + HA LYS 31 OK 54 54 100 100 2.0-4.9 5.2=67, ~6331=35...(34) HD3 LYS 31 + HA LYS 31 OK 53 54 100 100 2.0-4.8 5.2=67, ~6331=35...(34) HD2 LYS 19 + HA LYS 19 OK 47 50 95 100 3.6-5.5 5.2=69, 3.0/627=28...(42) HD3 LYS 19 + HA LYS 19 OK 45 50 90 99 3.9-5.5 5.2=69, 3.0/627=28...(41) HD3 LYS 26 - HA LYS 31 far 8 52 15 - 5.0-16.1 HD2 LYS 31 - HA LYS 19 far 3 66 5 - 3.8-21.0 HD3 LYS 31 - HA LYS 19 far 3 65 5 - 2.1-21.0 HD2 LYS 26 - HA LYS 31 far 3 54 5 - 3.8-16.5 HD2 LYS 24 - HA LYS 19 far 0 66 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 65 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 40 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 77 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 58 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 78 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 77 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 98 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 40 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 96 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 97 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 97 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 65 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 54 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 58 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 60 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 78 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 71 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 63 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 99 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 60 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 54 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 71 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 65 0 - 9.8-13.7 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 36 assignments used, quality = 1.00: * HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 4.1-5.2 5.3=65, 1042/3.0=41...(30) HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.2-5.0 5.3=65, 1042/3.0=41...(30) HD3 LYS 26 + HA LYS 26 OK 75 75 100 100 2.5-5.2 5.0=78, ~6253=40...(32) HD2 LYS 26 + HA LYS 26 OK 73 77 95 100 3.8-5.5 5.0=78, ~6253=40...(32) HD2 LYS 31 + HA LYS 31 OK 54 54 100 100 2.0-4.9 5.2=67, ~6331=35...(34) HD3 LYS 31 + HA LYS 31 OK 53 54 100 100 2.0-4.8 5.2=67, ~6331=35...(34) HD2 LYS 19 + HA LYS 19 OK 47 50 95 100 3.6-5.5 5.2=69, 3.0/627=28...(42) HD3 LYS 19 + HA LYS 19 OK 45 50 90 99 3.9-5.5 5.2=69, 3.0/627=28...(41) HD3 LYS 26 - HA LYS 31 far 8 52 15 - 5.0-16.1 HD2 LYS 31 - HA LYS 19 far 3 66 5 - 3.8-21.0 HD3 LYS 31 - HA LYS 19 far 3 65 5 - 2.1-21.0 HD2 LYS 26 - HA LYS 31 far 3 54 5 - 3.8-16.5 HD2 LYS 24 - HA LYS 19 far 0 66 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 65 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 40 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 77 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 58 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 78 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 77 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 98 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 40 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 96 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 97 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 97 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 65 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 54 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 58 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 60 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 78 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 71 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 63 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 99 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 60 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 54 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 71 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 65 0 - 9.8-13.7 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 8 assignments used, quality = 1.00: * H ILE 37 + HA LYS 36 OK 100 100 100 100 3.4-3.6 6403=100, 6405/3.0=48...(10) H LYS 36 + HA LYS 36 OK 60 60 100 100 2.9-2.9 3.0=100 H SER 38 - HA LYS 36 far 9 92 10 - 3.7-6.4 H THR 18 - HA LYS 19 far 3 69 5 - 4.1-5.3 H LYS 36 - HA LYS 19 far 0 35 0 - 8.1-25.5 H LYS 36 - HA LYS 31 far 0 28 0 - 8.7-10.4 H ILE 37 - HA LYS 19 far 0 71 0 - 8.9-25.9 H THR 18 - HA LYS 31 far 0 56 0 - 9.1-23.9 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 9 assignments used, quality = 1.00: * H LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.1 6392=100, 6393/1.8=81...(29) H ILE 37 + HB2 LYS 36 OK 58 60 100 96 2.5-3.8 4.6=45, 4.4/6392=39...(14) H SER 38 - HB2 LYS 36 far 0 93 0 - 5.0-7.1 H THR 18 - HB3 LYS 19 far 0 71 0 - 5.2-6.3 H LYS 36 - HB3 LYS 19 far 0 97 0 - 7.2-24.1 H ILE 37 - HB3 LYS 19 far 0 55 0 - 7.6-24.8 H LYS 36 - HB3 LYS 26 far 0 96 0 - 8.8-18.3 H THR 18 - HB3 LYS 31 far 0 71 0 - 8.9-22.2 H ILE 37 - HB3 LYS 26 far 0 54 0 - 9.7-20.5 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 43 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.3-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.3-2.6 3.0=100 HA LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.5-2.7 3.0=100 HA LEU 22 - HB3 LYS 24 far 5 94 5 - 3.4-7.5 HA ARG 23 - HB3 LYS 31 far 5 93 5 - 3.9-17.1 HA THR 25 - HB3 LYS 24 far 0 84 0 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 0 91 0 - 4.4-6.5 HA ARG 23 - HB3 LYS 26 far 0 91 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 96 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 95 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 97 0 - 4.9-10.4 HA LYS 19 - HB3 LYS 24 far 0 94 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 96 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 96 0 - 5.5-22.2 HA THR 25 - HB3 LYS 26 far 0 84 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 95 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 92 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 83 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 5.9-14.9 HA GLN 61 - HB3 LYS 24 far 0 95 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 6.8-22.8 HA ALA 21 - HB3 LYS 19 far 0 87 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 84 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 93 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 86 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 100 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 93 0 - 7.5-13.6 HA ALA 21 - HB3 LYS 31 far 0 87 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 97 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 94 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 86 0 - 8.1-15.3 HA SER 74 - HB3 LYS 19 far 0 85 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 95 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 94 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 82 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 85 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 99 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 96 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 90 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 94 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 86 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 95 0 - 9.9-37.8 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 5 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 36 - HB3 LYS 31 far 0 98 0 - 8.4-13.2 HB3 LEU 48 - HB3 LYS 24 far 0 92 0 - 8.7-37.5 HB2 GLU 40 - HB2 LYS 36 far 0 92 0 - 8.7-13.4 HB3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.8-19.0 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 42 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.7-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.7-3.0 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 2.7-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 24 far 10 96 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 19 far 5 97 5 - 2.9-15.3 QB ALA 28 - HB3 LYS 26 far 5 96 5 - 4.3-7.7 HG3 LYS 31 - HB3 LYS 26 far 5 92 5 - 3.9-13.1 QB ALA 16 - HB3 LYS 31 far 3 69 5 - 3.9-19.7 QB ALA 29 - HB2 LYS 36 far 0 100 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 98 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 96 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 68 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 97 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 75 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 98 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 96 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 98 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 93 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 98 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 98 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 97 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 92 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 96 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 86 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 97 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 73 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 84 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 100 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 84 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 96 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 76 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 100 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 96 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 67 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 100 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 74 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 989 from cnoeabs.peaks (1.47, 1.82, 32.86 ppm; 3.66 A): 4 out of 22 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.6-2.8 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 74 74 100 100 2.2-2.8 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 71 71 100 100 2.2-2.5 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 66 66 100 100 2.2-3.0 3.0=100 HG13 ILE 32 - HB3 LYS 26 far 9 57 15 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 6 64 10 - 3.1-12.9 HG13 ILE 32 - HB3 LYS 31 far 0 59 0 - 5.0-7.3 HG13 ILE 32 - HB3 LYS 19 far 0 58 0 - 5.4-19.7 HG2 LYS 31 - HB3 LYS 19 far 0 66 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 63 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 76 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 71 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 75 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 74 0 - 6.8-11.9 HG2 LYS 31 - HB3 LYS 24 far 0 65 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 69 0 - 7.5-15.4 HG3 LYS 19 - HB3 LYS 31 far 0 71 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 57 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 69 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 98 0 - 8.7-13.8 HG3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.1-20.8 QB ALA 52 - HB3 LYS 24 far 0 89 0 - 9.5-35.1 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 43 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.3-4.2 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 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.2-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.9-3.9 3.9=100 HD2 LYS 26 - HB3 LYS 31 far 14 94 15 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 26 far 14 92 15 - 5.0-13.1 HD3 LYS 26 - HB3 LYS 31 far 14 92 15 - 3.8-14.8 HD2 LYS 31 - HB3 LYS 26 far 9 93 10 - 5.2-13.2 HD2 LYS 26 - HB3 LYS 24 far 9 92 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 9 90 10 - 2.8-11.2 HD2 LYS 31 - HB3 LYS 19 far 5 94 5 - 6.0-19.2 HD3 LYS 31 - HB3 LYS 19 far 5 93 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 4 76 5 - 5.8-18.1 HD3 LYS 19 - HB3 LYS 31 far 0 76 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 95 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 97 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 93 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 91 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 92 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 93 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 94 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 94 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 93 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 92 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 74 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 74 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 93 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 74 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 74 0 - 9.8-19.8 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 43 assignments used, quality = 1.00: HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 * HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.3-4.2 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 2.3-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.2-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.9-3.9 3.9=100 HD2 LYS 26 - HB3 LYS 31 far 14 94 15 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 26 far 14 92 15 - 5.0-13.1 HD3 LYS 26 - HB3 LYS 31 far 14 92 15 - 3.8-14.8 HD2 LYS 31 - HB3 LYS 26 far 9 93 10 - 5.2-13.2 HD2 LYS 26 - HB3 LYS 24 far 9 92 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 9 90 10 - 2.8-11.2 HD2 LYS 31 - HB3 LYS 19 far 5 94 5 - 6.0-19.2 HD3 LYS 31 - HB3 LYS 19 far 5 93 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 4 76 5 - 5.8-18.1 HD3 LYS 19 - HB3 LYS 31 far 0 76 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 95 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 97 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 93 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 91 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 92 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 93 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 94 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 94 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 93 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 92 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 74 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 74 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 93 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 74 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 74 0 - 9.8-19.8 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 44 assignments used, quality = 1.00: * HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.0-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.4-5.3 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.6-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.4-4.7 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.2-5.5 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 3.5-5.4 4.8=100 HE3 LYS 31 - HB3 LYS 19 poor 19 93 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 14 95 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 14 92 15 - 2.2-9.7 HE3 LYS 31 - HB2 LYS 36 far 10 97 10 - 6.7-12.2 HE2 LYS 24 - HB3 LYS 19 far 10 97 10 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 19 far 10 97 10 - 5.9-15.4 HE3 LYS 26 - HB3 LYS 31 far 9 94 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 9 94 10 - 6.0-15.4 HE2 LYS 31 - HB2 LYS 36 far 5 99 5 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.4-20.0 HE3 LYS 26 - HB2 LYS 36 far 5 97 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 97 5 - 6.2-21.1 HE3 LYS 24 - HB3 LYS 31 far 5 97 5 - 7.5-21.6 HE3 LYS 19 - HB3 LYS 31 far 5 96 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 24 far 5 96 5 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 26 far 5 96 5 - 7.0-14.0 HE2 LYS 31 - HB3 LYS 24 far 5 94 5 - 5.0-21.5 HE2 LYS 26 - HB3 LYS 19 far 5 93 5 - 6.7-19.5 HE3 LYS 31 - HB3 LYS 24 far 5 92 5 - 5.6-21.1 HE2 LYS 26 - HB3 LYS 24 lone 3 92 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 94 35 8 5.9-13.4 9008/10751=3, 10766/10898=3 HE3 LYS 31 - HB3 LYS 26 lone 2 92 30 8 6.8-13.2 9008/10751=3, 10840/10898=2 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 93 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 92 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 99 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 94 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 97 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 94 0 - 10.0-19.9 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 44 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.4-4.7 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.6-5.3 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.2-5.5 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.0-5.4 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.5-5.4 4.8=100 HE3 LYS 31 - HB3 LYS 19 poor 19 96 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 15 97 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 14 95 15 - 2.2-9.7 HE3 LYS 31 - HB2 LYS 36 far 10 99 10 - 6.7-12.2 HE3 LYS 24 - HB3 LYS 19 far 10 97 10 - 5.9-15.4 HE3 LYS 26 - HB3 LYS 31 far 10 96 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 96 10 - 6.0-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 96 10 - 6.3-15.6 HE2 LYS 31 - HB2 LYS 36 far 5 100 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 5 99 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 5 99 5 - 6.2-21.1 HE3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.4-20.0 HE3 LYS 24 - HB3 LYS 31 far 5 98 5 - 7.5-21.6 HE2 LYS 31 - HB3 LYS 24 far 5 96 5 - 5.0-21.5 HE3 LYS 24 - HB3 LYS 26 far 5 96 5 - 7.0-14.0 HE2 LYS 19 - HB3 LYS 24 far 5 96 5 - 7.3-17.6 HE2 LYS 26 - HB3 LYS 19 far 5 96 5 - 6.7-19.5 HE3 LYS 31 - HB3 LYS 24 far 5 95 5 - 5.6-21.1 HE2 LYS 26 - HB3 LYS 24 lone 3 95 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 96 35 9 5.9-13.4 9008/10751=3, 10766/10898=3 HE3 LYS 31 - HB3 LYS 26 lone 2 95 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 96 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 85 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 95 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 100 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 97 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 10 assignments used, quality = 1.00: * H ILE 37 + HB2 LYS 36 OK 100 100 100 100 2.5-3.8 6404=100, 6405/1.8=80...(15) H LYS 36 + HB2 LYS 36 OK 60 60 100 99 2.2-3.1 3.9=86, 6393/1.8=40...(29) H SER 38 - HB2 LYS 36 far 0 92 0 - 5.0-7.1 H THR 18 - HB3 LYS 19 far 0 96 0 - 5.2-6.3 H LYS 36 - HB3 LYS 19 far 0 55 0 - 7.2-24.1 H ILE 37 - HB3 LYS 19 far 0 97 0 - 7.6-24.8 H LYS 36 - HB3 LYS 26 far 0 54 0 - 8.8-18.3 H THR 18 - HB3 LYS 31 far 0 96 0 - 8.9-22.2 H ASP 64 - HB3 LYS 24 far 0 94 0 - 9.1-38.3 H ILE 37 - HB3 LYS 26 far 0 96 0 - 9.7-20.5 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (8.00, 1.88, 32.86 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.3-3.7 6393=100, 6392/1.8=81...(27) H ILE 37 + HB3 LYS 36 OK 56 60 100 93 3.9-4.3 6405=43, 4.4/6393=36...(12) H SER 38 - HB3 LYS 36 far 0 93 0 - 5.5-7.3 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 2 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HA LYS 31 - HB3 LYS 36 far 0 100 0 - 7.4-11.0 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 - 5.5-8.7 HB3 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.4-13.2 HB3 LYS 26 - HB3 LYS 36 far 0 100 0 - 9.8-19.0 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 7 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 QB ALA 29 - HB3 LYS 36 far 5 100 5 - 4.1-11.4 HG3 LYS 31 - HB3 LYS 36 far 0 97 0 - 7.9-13.0 HG3 LYS 26 - HB3 LYS 36 far 0 100 0 - 8.8-19.4 QB ALA 28 - HB3 LYS 36 far 0 100 0 - 8.9-13.3 QB ALA 16 - HB3 LYS 36 far 0 73 0 - 9.2-28.5 HB2 LEU 42 - HB3 LYS 36 far 0 100 0 - 9.5-12.9 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 4 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 - 6.1-10.6 HG2 LYS 31 - HB3 LYS 36 far 0 71 0 - 6.2-13.8 HG LEU 42 - HB3 LYS 36 far 0 83 0 - 9.4-13.7 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 3.2-4.2 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=100 HD2 LYS 31 - HB3 LYS 36 far 0 98 0 - 5.8-13.5 HD2 LYS 26 - HB3 LYS 36 far 0 97 0 - 6.3-21.6 HD3 LYS 31 - HB3 LYS 36 far 0 97 0 - 6.8-13.9 HD3 LYS 26 - HB3 LYS 36 far 0 96 0 - 7.4-20.8 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 3.2-4.2 3.5=100 * HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=100 HD2 LYS 31 - HB3 LYS 36 far 0 98 0 - 5.8-13.5 HD2 LYS 26 - HB3 LYS 36 far 0 97 0 - 6.3-21.6 HD3 LYS 31 - HB3 LYS 36 far 0 97 0 - 6.8-13.9 HD3 LYS 26 - HB3 LYS 36 far 0 96 0 - 7.4-20.8 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 7 assignments used, quality = 1.00: * HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-5.3 4.9=100 HE3 LYS 31 - HB3 LYS 36 far 10 97 10 - 6.6-13.9 HB2 CYS 45 - HB3 LYS 36 far 5 92 5 - 7.0-13.6 HE2 LYS 31 - HB3 LYS 36 far 0 99 0 - 7.2-13.1 HE3 LYS 26 - HB3 LYS 36 far 0 97 0 - 7.2-21.2 HE2 LYS 26 - HB3 LYS 36 far 0 97 0 - 7.6-21.1 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 7 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-5.3 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HE3 LYS 31 - HB3 LYS 36 far 10 99 10 - 6.6-13.9 HB2 CYS 45 - HB3 LYS 36 far 4 85 5 - 7.0-13.6 HE2 LYS 31 - HB3 LYS 36 far 0 100 0 - 7.2-13.1 HE3 LYS 26 - HB3 LYS 36 far 0 99 0 - 7.2-21.2 HE2 LYS 26 - HB3 LYS 36 far 0 99 0 - 7.6-21.1 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 3.9-4.3 6405=100, 6404/1.8=73...(12) H LYS 36 + HB3 LYS 36 OK 59 60 100 99 3.3-3.7 3.9=83, 6392/1.8=41...(26) H SER 38 - HB3 LYS 36 far 0 92 0 - 5.5-7.3 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (8.00, 1.38, 24.92 ppm; 4.24 A): 4 out of 9 assignments used, quality = 1.00: * H LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-4.3 6394=100, 6392/3.0=82...(42) H SER 38 + HG2 LYS 36 OK 76 93 90 90 3.6-7.5 6423/10820=54...(7) H ILE 37 + HG2 LYS 36 OK 60 60 100 99 2.8-4.1 4.0/10820=55...(14) H THR 18 + HG2 LYS 19 OK 24 30 100 80 2.7-4.0 6144/4.9=37, 10683=27...(8) H THR 18 - HG3 LYS 31 far 0 54 0 - 6.9-22.9 H THR 18 - HG2 LYS 24 far 0 51 0 - 7.6-15.1 H LYS 36 - HG3 LYS 26 far 0 60 0 - 8.1-19.7 H ILE 37 - HG3 LYS 26 far 0 29 0 - 9.2-21.8 H LYS 36 - HG3 LYS 31 far 0 81 0 - 9.5-12.2 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 43 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.9-3.8 4.1=100 HA LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.1-3.7 3.8=100 HA LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.5-3.8 4.0=100 HA ARG 23 + HG2 LYS 24 OK 49 70 75 93 3.7-6.5 424/6222=85, 2.9/832=15...(14) HA THR 25 + HG3 LYS 26 OK 49 49 100 100 3.5-5.3 11150=85, 582/6253=73...(18) HA LYS 19 + HG2 LYS 19 OK 45 45 100 100 3.5-3.7 4.2=100 HA LEU 22 + HG2 LYS 24 OK 40 74 75 73 2.6-6.1 2.9/1309=26...(13) HA THR 18 + HG2 LYS 19 OK 36 37 100 96 3.3-5.3 226/4.9=48...(16) HA ALA 16 - HG2 LYS 19 poor 10 48 20 - 2.8-8.6 HA LYS 19 - HG2 LYS 24 far 7 73 10 - 4.2-13.3 HA ARG 23 - HG3 LYS 26 far 5 54 10 - 2.5-9.1 HA LYS 26 - HG3 LYS 31 far 4 79 5 - 4.7-12.7 HA LYS 19 - HG3 LYS 31 far 4 78 5 - 3.8-19.8 HA THR 25 - HG2 LYS 24 far 3 63 5 - 4.6-6.6 HA THR 25 - HG3 LYS 31 far 0 67 0 - 5.5-16.5 HA THR 18 - HG3 LYS 31 far 0 66 0 - 5.6-23.8 HA ALA 21 - HG2 LYS 19 far 0 39 0 - 6.0-8.5 HA THR 18 - HG2 LYS 24 far 0 62 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 65 0 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 0 74 0 - 6.1-18.5 HA ALA 15 - HG2 LYS 19 far 0 44 0 - 6.3-11.0 HA LYS 31 - HG3 LYS 26 far 0 60 0 - 6.6-15.0 HA LEU 22 - HG3 LYS 31 far 0 78 0 - 6.6-23.6 HA ALA 12 - HG2 LYS 19 far 0 44 0 - 6.7-20.0 HA LYS 31 - HG2 LYS 24 far 0 76 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 81 0 - 6.9-24.0 HA ARG 23 - HG2 LYS 19 far 0 43 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 75 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 58 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 38 0 - 7.6-32.7 HA ALA 15 - HG3 LYS 31 far 0 76 0 - 7.7-25.1 HA GLN 61 - HG2 LYS 24 far 0 75 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 69 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 57 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 46 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 100 0 - 8.4-12.7 HA ALA 21 - HG3 LYS 26 far 0 50 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 46 0 - 8.6-16.3 HA LYS 36 - HG3 LYS 26 far 0 60 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 58 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 47 0 - 9.1-20.6 HA LYS 36 - HG3 LYS 31 far 0 81 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 90 0 - 9.9-21.7 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 2.9-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.7-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.7-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.7-3.0 3.0=100 HB3 LYS 26 - HG3 LYS 31 far 8 81 10 - 3.9-13.1 HB3 LYS 24 - HG3 LYS 26 far 6 60 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 6 58 10 - 2.4-11.0 HB ILE 32 - HG3 LYS 31 far 4 81 5 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 4 79 5 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 60 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 75 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 75 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 59 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 75 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 80 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 46 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 100 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 48 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 80 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 76 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 47 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 59 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 47 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 47 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 77 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 78 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 100 0 - 9.9-14.8 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 2.2-2.8 3.0=100 HB2 GLU 40 - HG2 LYS 36 far 0 92 0 - 7.2-12.4 HB3 LYS 36 - HG3 LYS 31 far 0 81 0 - 7.9-13.0 HB3 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.8-19.4 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 23 assignments used, quality = 1.00: * HG3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 55 55 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 50 50 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 30 30 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 3 31 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 2 44 5 - 3.1-8.2 HG2 LYS 31 - HG3 LYS 26 far 0 35 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 42 0 - 5.2-11.1 HG2 LYS 31 - HG2 LYS 24 far 0 47 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 27 0 - 6.4-19.9 HG13 ILE 32 - HG2 LYS 19 far 0 24 0 - 7.2-21.2 HG13 ILE 32 - HG2 LYS 36 far 0 63 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 60 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 71 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 54 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 51 0 - 8.1-13.1 HG3 LYS 24 - HG3 LYS 31 far 0 58 0 - 8.1-21.8 HG LEU 42 - HG2 LYS 36 far 0 83 0 - 8.2-13.4 HG3 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 41 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 39 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 32 0 - 8.9-13.9 QB ALA 52 - HG3 LYS 26 far 0 52 0 - 9.3-34.6 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 43 assignments used, quality = 1.00: HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 * HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HG3 LYS 31 OK 77 77 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 53 53 100 100 2.3-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 7 73 10 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 4 76 5 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 4 71 5 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 3 69 5 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 44 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 55 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 44 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 42 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 56 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 58 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 55 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 97 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 56 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 55 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 96 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 58 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 98 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 97 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 77 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 44 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 55 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 65 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 42 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 99 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 44 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 81 0 - 10.0-14.2 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 43 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HG3 LYS 31 OK 77 77 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 53 53 100 100 2.3-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 7 73 10 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 4 76 5 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 4 71 5 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 3 69 5 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 44 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 55 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 44 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 42 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 56 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 58 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 55 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 97 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 56 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 55 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 96 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 58 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 98 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 97 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 77 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 44 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 55 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 65 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 42 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 99 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 44 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 81 0 - 10.0-14.2 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 42 assignments used, quality = 1.00: * HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 78 78 100 100 2.1-3.9 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.1-4.2 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 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.0-4.1 3.6=100 HE2 LYS 19 + HG2 LYS 19 OK 48 48 100 100 2.7-4.1 3.8=100 HE3 LYS 19 + HG2 LYS 19 OK 46 46 100 100 2.2-4.2 3.8=100 HE3 LYS 19 - HG3 LYS 31 far 4 78 5 - 6.2-20.2 HE3 LYS 26 - HG3 LYS 31 far 4 76 5 - 5.2-15.5 HE2 LYS 31 - HG2 LYS 24 far 4 74 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 71 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 4 71 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 4 71 5 - 4.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 3 60 5 - 5.9-12.5 HE3 LYS 24 - HG3 LYS 26 far 3 59 5 - 4.3-13.1 HE2 LYS 31 - HG3 LYS 26 far 3 58 5 - 5.7-14.7 HE2 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 81 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 55 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 92 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 44 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 47 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 97 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 81 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 80 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 97 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 47 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 46 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 44 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 74 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 97 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 80 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 99 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 81 0 - 9.1-12.9 HG CYS 73 - HG2 LYS 36 far 0 81 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 59 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.8-21.9 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 42 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 80 80 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 79 79 100 100 2.0-4.2 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 75 75 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.0-4.1 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.7-4.1 3.8=100 HE3 LYS 19 - HG3 LYS 31 far 4 80 5 - 6.2-20.2 HE3 LYS 26 - HG3 LYS 31 far 4 79 5 - 5.2-15.5 HE2 LYS 31 - HG2 LYS 24 far 4 76 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 75 5 - 4.3-21.5 HE3 LYS 26 - HG2 LYS 24 far 4 75 5 - 4.7-11.5 HE2 LYS 26 - HG2 LYS 24 far 4 75 5 - 4.8-12.5 HE3 LYS 24 - HG3 LYS 26 far 3 60 5 - 4.3-13.1 HE2 LYS 31 - HG3 LYS 26 far 3 60 5 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 3 58 5 - 5.9-12.5 HE2 LYS 26 - HG3 LYS 31 far 0 79 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 79 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 58 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 85 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 46 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 46 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 46 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 99 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 80 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 81 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 99 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 48 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 47 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 46 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 76 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 99 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 100 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 80 0 - 9.1-12.9 HG CYS 73 - HG2 LYS 36 far 0 71 0 - 9.3-14.5 HE3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 76 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 59 0 - 9.8-21.9 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 10 assignments used, quality = 1.00: * H ILE 37 + HG2 LYS 36 OK 100 100 100 100 2.8-4.1 6406=100, 6407/1.8=95...(14) H SER 38 + HG2 LYS 36 OK 81 92 90 98 3.6-7.5 4.2/10820=72...(7) H LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-4.3 5.0=100 H THR 18 + HG2 LYS 19 OK 44 46 100 94 2.7-4.0 6144/4.9=69, 10683=41...(13) H THR 18 - HG3 LYS 31 far 0 79 0 - 6.9-22.9 H THR 18 - HG2 LYS 24 far 0 75 0 - 7.6-15.1 H LYS 36 - HG3 LYS 26 far 0 29 0 - 8.1-19.7 H ILE 37 - HG3 LYS 26 far 0 60 0 - 9.2-21.8 H LYS 36 - HG3 LYS 31 far 0 42 0 - 9.5-12.2 H ASP 64 - HG2 LYS 24 far 0 73 0 - 10.0-38.0 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 3 assignments used, quality = 1.00: * H LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.0-4.7 6394/1.8=93, 6392/3.0=85...(47) H ILE 37 + HG3 LYS 36 OK 58 60 100 96 2.4-4.4 6407=46, 6406/1.8=39...(11) H SER 38 - HG3 LYS 36 far 9 93 10 - 4.6-7.6 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 6 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.5-3.8 4.1=100 HA PHE 87 - HG3 LYS 86 far 13 89 15 - 4.3-6.6 HA ARG 84 - HG3 LYS 86 far 0 57 0 - 5.8-8.0 HA LYS 31 - HG3 LYS 36 far 0 100 0 - 7.6-11.7 HA SER 74 - HG3 LYS 86 far 0 81 0 - 8.5-11.6 HA THR 25 - HG3 LYS 36 far 0 90 0 - 8.7-21.0 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 2.6-2.8 3.0=100 HB2 LYS 86 + HG3 LYS 86 OK 69 69 100 100 2.2-3.0 3.0=100 HB ILE 32 - HG3 LYS 36 far 0 100 0 - 5.4-9.2 HB2 ARG 84 - HG3 LYS 86 far 0 91 0 - 7.0-9.5 HB2 CYS 79 - HG3 LYS 86 far 0 69 0 - 7.7-9.5 HB VAL 93 - HG3 LYS 86 far 0 88 0 - 8.6-11.2 HB3 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.7-13.8 HB3 ARG 135 - HG3 LYS 86 far 0 94 0 - 9.0-13.1 HB3 LYS 26 - HG3 LYS 36 far 0 100 0 - 9.1-20.8 Violated in 0 structures by 0.00 A. Peak 1020 from cnoeabs.peaks (1.88, 1.47, 24.92 ppm; 3.69 A): 1 out of 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 0 52 0 - 5.2-9.3 HB3 ARG 84 - HG3 LYS 86 far 0 73 0 - 6.6-10.0 HB2 GLU 40 - HG3 LYS 36 far 0 92 0 - 7.7-12.2 HB2 ARG 135 - HG3 LYS 86 far 0 77 0 - 8.5-11.8 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 6 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 - 5.8-12.8 HG3 LYS 26 - HG3 LYS 36 far 0 100 0 - 7.5-21.1 HG3 LYS 31 - HG3 LYS 36 far 0 97 0 - 8.4-13.8 HB2 LEU 42 - HG3 LYS 36 far 0 100 0 - 8.7-12.2 QB ALA 28 - HG3 LYS 36 far 0 100 0 - 9.7-14.3 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 9 assignments used, quality = 1.00: HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.3-2.9 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-2.5 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-2.5 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 0 97 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 96 0 - 6.6-22.6 HD2 LYS 31 - HG3 LYS 36 far 0 98 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 90 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 97 0 - 7.2-14.6 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 9 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.3-2.9 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-2.5 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-2.5 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 0 97 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 96 0 - 6.6-22.6 HD2 LYS 31 - HG3 LYS 36 far 0 98 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 90 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 97 0 - 7.2-14.6 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 2.5-3.9 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.1-4.0 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 94 94 100 100 3.5-3.8 3.7=100 HE3 LYS 26 - HG3 LYS 36 far 5 97 5 - 5.6-23.2 HE2 LYS 26 - HG3 LYS 36 far 0 97 0 - 6.2-22.9 HB2 CYS 45 - HG3 LYS 36 far 0 92 0 - 7.0-11.9 HE3 LYS 31 - HG3 LYS 36 far 0 97 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 99 0 - 7.2-12.8 HD2 ARG 135 - HG3 LYS 86 far 0 75 0 - 8.6-14.3 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 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.9 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 94 94 100 100 3.5-3.8 3.7=100 HE3 LYS 26 - HG3 LYS 36 far 5 99 5 - 5.6-23.2 HE2 LYS 26 - HG3 LYS 36 far 0 99 0 - 6.2-22.9 HB2 CYS 45 - HG3 LYS 36 far 0 85 0 - 7.0-11.9 HE3 LYS 31 - HG3 LYS 36 far 0 99 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 100 0 - 7.2-12.8 HD2 ARG 135 - HG3 LYS 86 far 0 67 0 - 8.6-14.3 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 3 assignments used, quality = 1.00: * H ILE 37 + HG3 LYS 36 OK 100 100 100 100 2.4-4.4 6407=100, 6406/1.8=89...(11) H LYS 36 + HG3 LYS 36 OK 60 60 100 100 3.0-4.7 5.0=74, 4.4/6407=51...(49) H SER 38 - HG3 LYS 36 far 9 92 10 - 4.6-7.6 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 5.75 A): 6 out of 20 assignments used, quality = 1.00: H LYS 36 + HD3 LYS 36 OK 100 100 100 100 1.9-4.4 6392/3.5=98, 6394/3.0=98...(69) * H LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.9-4.7 6392/3.5=98, 6394/3.0=98...(68) H SER 38 + HD3 LYS 36 OK 82 93 100 88 4.3-6.4 4.2/10818=46...(6) H SER 38 + HD2 LYS 36 OK 67 93 85 84 4.9-8.0 6426/10918=38...(5) H ILE 37 + HD3 LYS 36 OK 60 60 100 100 1.9-3.9 ~10817=51, 4.0/10818=47...(15) H ILE 37 + HD2 LYS 36 OK 60 60 100 100 2.0-4.2 ~10817=51, 6405/3.5=44...(14) H LYS 36 - HD3 LYS 26 far 4 87 5 - 6.4-20.3 H THR 18 - HD3 LYS 31 far 0 64 0 - 6.9-24.2 H ILE 37 - HD3 LYS 26 far 0 46 0 - 7.3-22.5 H LYS 36 - HD2 LYS 26 far 0 92 0 - 7.9-20.9 H THR 18 - HD2 LYS 26 far 0 64 0 - 7.9-22.9 H LYS 36 - HD2 LYS 31 far 0 94 0 - 7.9-13.4 H THR 18 - HD3 LYS 26 far 0 59 0 - 8.2-22.9 H THR 18 - HD2 LYS 31 far 0 66 0 - 8.2-24.5 H LYS 36 - HD3 LYS 31 far 0 92 0 - 8.3-13.7 H ILE 37 - HD2 LYS 26 far 0 50 0 - 8.4-23.1 H THR 18 - HD2 LYS 24 far 0 66 0 - 8.7-17.8 H ILE 37 - HD2 LYS 31 far 0 52 0 - 9.2-15.1 H THR 18 - HD3 LYS 24 far 0 64 0 - 9.8-17.5 H LYS 36 - HD3 LYS 24 far 0 92 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 1029 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 4.42 A): 9 out of 70 assignments used, quality = 1.00: HA LYS 36 + HD3 LYS 36 OK 100 100 100 100 4.1-5.2 5.3=59, 3.0/1042=40...(30) * HA LYS 36 + HD2 LYS 36 OK 100 100 100 100 4.2-5.0 5.3=59, 3.0/1031=40...(30) HA LYS 31 + HD2 LYS 31 OK 93 94 100 100 2.0-4.9 5.2=61, 822/2.9=32...(34) HA LYS 31 + HD3 LYS 31 OK 91 92 100 100 2.0-4.8 5.2=61, 822/2.9=32...(34) HA LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.5-5.2 5.0=70, ~6253=37...(32) HA LYS 26 + HD2 LYS 26 OK 63 90 70 100 3.8-5.5 5.0=70, ~6253=37...(32) HA LEU 22 + HD2 LYS 24 OK 31 92 55 62 2.0-8.9 401/10812=21, ~1309=13...(12) HA THR 25 + HD3 LYS 26 OK 25 73 35 98 4.3-7.0 11150/2.9=67...(16) HA LEU 22 + HD3 LYS 24 OK 23 89 45 57 1.9-8.8 ~1309=13, 11967/3.0=10...(12) HA THR 25 - HD2 LYS 26 poor 20 78 25 - 3.0-7.4 HA ARG 23 - HD3 LYS 24 far 13 86 15 - 3.7-7.9 HA ARG 23 - HD2 LYS 24 far 9 88 10 - 4.8-8.7 HA LYS 31 - HD3 LYS 26 far 9 87 10 - 5.0-16.1 HA THR 25 - HD3 LYS 24 far 8 78 10 - 3.4-7.5 HA LYS 31 - HD2 LYS 26 far 5 92 5 - 3.8-16.5 HA LYS 19 - HD2 LYS 31 far 5 91 5 - 3.8-21.0 HA LEU 22 - HD3 LYS 31 far 4 89 5 - 5.1-21.9 HA LYS 19 - HD3 LYS 31 far 4 89 5 - 2.1-21.0 HA ARG 23 - HD2 LYS 26 far 4 86 5 - 2.1-11.5 HA ALA 21 - HD2 LYS 24 far 4 82 5 - 5.0-11.7 HA THR 25 - HD2 LYS 24 far 4 81 5 - 5.2-8.2 HA ARG 23 - HD3 LYS 26 far 4 80 5 - 3.6-11.3 HA ALA 16 - HD2 LYS 31 far 0 94 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 89 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 80 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 91 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 86 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 77 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 80 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 89 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 88 0 - 6.6-18.6 HA THR 18 - HD2 LYS 24 far 0 79 0 - 6.6-15.6 HA LEU 22 - HD2 LYS 31 far 0 92 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 81 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 90 0 - 6.9-14.5 HA LEU 22 - HD3 LYS 26 far 0 84 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 90 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 100 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 92 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 90 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 87 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 79 0 - 7.4-23.7 HA LYS 36 - HD2 LYS 31 far 0 94 0 - 7.5-14.9 HA THR 25 - HD3 LYS 31 far 0 78 0 - 7.5-18.2 HA LYS 36 - HD3 LYS 26 far 0 87 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 75 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 77 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 92 0 - 8.1-15.3 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 92 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 90 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 85 0 - 8.5-39.6 HA LYS 19 - HD2 LYS 26 far 0 89 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 94 0 - 8.7-21.9 HA THR 18 - HD2 LYS 26 far 0 77 0 - 8.8-21.0 HA LYS 31 - HD3 LYS 36 far 0 100 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 99 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 83 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 92 0 - 9.1-41.6 HA ALA 110 - HD2 LYS 24 far 0 90 0 - 9.2-49.0 HA ALA 12 - HD3 LYS 26 far 0 82 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 92 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 82 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 71 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 82 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 99 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 90 0 - 9.7-20.9 Violated in 0 structures by 0.00 A. Peak 1030 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 4.10 A): 8 out of 51 assignments used, quality = 1.00: * HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.3-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 93 93 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.3-4.0 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 2.0-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.2-4.2 3.5=100 HB ILE 32 - HD2 LYS 36 far 15 100 15 - 4.6-8.0 HB ILE 32 - HD2 LYS 26 far 14 92 15 - 4.4-15.8 HB ILE 32 - HD2 LYS 31 far 9 94 10 - 4.9-9.0 HB ILE 32 - HD3 LYS 31 far 9 92 10 - 4.6-9.2 HB3 LYS 24 - HD2 LYS 26 far 9 91 10 - 2.5-11.6 HB3 ARG 23 - HD2 LYS 26 far 9 90 10 - 4.3-13.4 HB3 LYS 24 - HD3 LYS 26 far 9 86 10 - 2.8-11.2 HB3 LYS 31 - HD2 LYS 26 far 5 91 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 5 91 5 - 4.3-19.1 HB ILE 32 - HD3 LYS 26 far 4 87 5 - 4.8-14.9 HB3 LYS 31 - HD3 LYS 26 far 4 86 5 - 3.8-14.8 HB3 ARG 23 - HD3 LYS 26 far 4 85 5 - 4.9-13.2 HB3 LYS 26 - HD3 LYS 31 far 0 92 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 94 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 90 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 100 0 - 5.8-9.4 HB3 LYS 19 - HD2 LYS 31 far 0 93 0 - 6.0-19.2 HB3 ARG 23 - HD2 LYS 24 far 0 92 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 94 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 93 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 92 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 91 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 86 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 87 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 91 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 8.1-15.6 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.2 HB3 LYS 19 - HD3 LYS 24 far 0 91 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 92 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 92 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.4-23.3 HB3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.7-12.8 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 94 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-21.9 HB2 CYS 79 - HD2 LYS 36 far 0 78 0 - 9.6-13.8 HB3 ARG 23 - HD2 LYS 36 far 0 99 0 - 9.8-24.4 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 10 assignments used, quality = 1.00: * HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.2-4.2 3.5=94, 1064/3.0=21...(79) HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=94, 1064/3.0=21...(79) HB3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.8-13.5 HB3 LYS 36 - HD2 LYS 26 far 0 92 0 - 6.3-21.6 HB3 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.8-13.9 HB3 LYS 36 - HD3 LYS 26 far 0 87 0 - 7.4-20.8 HB3 LEU 48 - HD3 LYS 26 far 0 82 0 - 8.0-38.0 HB3 LEU 48 - HD2 LYS 26 far 0 87 0 - 8.7-39.0 HB2 GLU 40 - HD3 LYS 36 far 0 92 0 - 9.6-12.9 HB2 GLU 40 - HD2 LYS 36 far 0 92 0 - 9.9-13.6 Violated in 1 structures by 0.00 A. Peak 1032 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 3.85 A): 8 out of 70 assignments used, quality = 1.00: HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 * HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.4-2.9 2.9=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 2.3-3.0 2.9=100 QB ALA 28 - HD2 LYS 26 far 14 91 15 - 4.6-9.5 QB ALA 29 - HD2 LYS 26 far 9 92 10 - 4.1-12.5 QB ALA 15 - HD2 LYS 31 far 5 94 5 - 3.7-21.3 QB ALA 29 - HD3 LYS 26 far 4 87 5 - 4.6-11.8 HG3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.1-16.0 QB ALA 16 - HD2 LYS 31 far 3 64 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 3 62 5 - 4.1-20.4 HG3 LYS 31 - HD2 LYS 26 far 0 87 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 92 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 92 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 86 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 91 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 78 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 94 0 - 5.8-10.1 QB ALA 28 - HD2 LYS 31 far 0 94 0 - 6.0-10.4 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 78 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 73 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 92 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 94 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 94 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 92 0 - 6.7-15.7 HG3 LYS 26 - HD3 LYS 31 far 0 92 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 92 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 94 0 - 7.5-14.9 QB ALA 110 - HD2 LYS 24 far 0 94 0 - 7.9-42.6 QB ALA 29 - HD2 LYS 24 far 0 94 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 100 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.8 HG2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 97 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.5-15.7 HB2 LEU 42 - HD2 LYS 36 far 0 100 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 64 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 89 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 92 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 73 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 57 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 64 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 94 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 71 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 81 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 62 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 9.2-13.4 QB ALA 12 - HD2 LYS 26 far 0 69 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 73 0 - 9.5-28.4 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 87 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 78 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 97 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 92 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 1033 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 3.28 A): 6 out of 37 assignments used, quality = 1.00: HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-2.9 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 2.6-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 62 62 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 60 60 100 100 2.3-3.0 2.9=100 HG13 ILE 32 - HD2 LYS 31 far 8 54 15 - 3.7-8.9 HG13 ILE 32 - HD3 LYS 31 far 8 52 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 26 far 5 52 10 - 3.0-13.6 HG3 LYS 24 - HD2 LYS 26 far 3 69 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 3 64 5 - 3.7-12.6 HG2 LYS 31 - HD3 LYS 26 far 3 55 5 - 3.8-15.2 HG13 ILE 32 - HD3 LYS 26 far 2 48 5 - 3.5-12.7 HG2 LYS 31 - HD2 LYS 26 far 0 60 0 - 4.4-16.1 HG3 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 63 0 - 5.5-10.0 HG3 LYS 19 - HD3 LYS 26 far 0 59 0 - 6.0-20.3 HG3 LYS 19 - HD3 LYS 31 far 0 64 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 64 0 - 6.4-20.6 HG3 LYS 36 - HD3 LYS 26 far 0 87 0 - 6.6-22.6 HG2 LYS 31 - HD2 LYS 36 far 0 71 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 63 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 69 0 - 7.5-22.9 HG2 LYS 31 - HD2 LYS 24 far 0 62 0 - 7.5-22.6 HG3 LYS 19 - HD2 LYS 31 far 0 66 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 71 0 - 7.9-22.8 HG2 LYS 31 - HD3 LYS 24 far 0 60 0 - 7.9-22.0 QB ALA 52 - HD2 LYS 26 far 0 83 0 - 8.0-36.3 HG13 ILE 32 - HD3 LYS 24 far 0 52 0 - 8.1-21.0 QB ALA 52 - HD3 LYS 26 far 0 78 0 - 8.2-35.4 HG LEU 42 - HD3 LYS 36 far 0 83 0 - 8.3-11.7 HG LEU 42 - HD2 LYS 36 far 0 83 0 - 8.4-13.0 HG2 LYS 31 - HD3 LYS 36 far 0 71 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 24 far 0 54 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 66 0 - 9.9-15.8 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 74 assignments used, quality = 1.00: HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 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 HE3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 4 86 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 91 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 87 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 87 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 97 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 89 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 97 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 94 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 97 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 87 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 97 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 89 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 89 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 97 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 89 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 92 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 91 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 84 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 93 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 89 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 87 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 89 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 87 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 99 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 82 0 - 6.8-16.1 HE3 LYS 31 - HD3 LYS 36 far 0 97 0 - 7.1-13.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 92 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 92 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 89 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 87 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 99 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 99 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 87 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 8.0-16.3 HE2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.2-15.6 HE3 LYS 19 - HD3 LYS 26 far 0 84 0 - 8.5-22.7 HE2 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.5-13.1 HE2 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 92 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 81 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 89 0 - 8.9-23.1 HE2 LYS 36 - HD3 LYS 31 far 0 92 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 86 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 19 - HD3 LYS 24 far 0 92 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 81 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 100 0 - 9.8-25.4 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 74 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 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 HE3 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 92 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 85 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 90 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 90 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 99 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 91 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 99 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 99 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 90 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 92 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 90 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 99 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 90 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 92 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 86 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 90 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 91 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 90 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 94 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.8-16.1 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 85 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 85 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 90 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 86 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.0-16.3 HE2 LYS 36 - HD2 LYS 31 far 0 93 0 - 8.2-15.6 HE3 LYS 19 - HD3 LYS 26 far 0 86 0 - 8.5-22.7 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.5-13.1 HE2 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 86 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 71 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.9-23.1 HE2 LYS 36 - HD3 LYS 31 far 0 91 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 71 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 1038 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 6.42 A): 6 out of 22 assignments used, quality = 1.00: H ILE 37 + HD3 LYS 36 OK 100 100 100 100 1.9-3.9 6405/3.5=99, 6406/3.0=99...(15) * H ILE 37 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 6405/3.5=99, 6406/3.0=99...(14) H SER 38 + HD3 LYS 36 OK 83 92 100 91 4.3-6.4 4.2/10818=51...(6) H SER 38 + HD2 LYS 36 OK 77 92 95 88 4.9-8.0 4.2/10912=42...(5) H LYS 36 + HD3 LYS 36 OK 60 60 100 100 1.9-4.4 6.1=100 H LYS 36 + HD2 LYS 36 OK 60 60 100 100 2.9-4.7 6.1=100 H LYS 36 - HD3 LYS 26 far 5 46 10 - 6.4-20.3 H THR 18 - HD3 LYS 31 far 5 90 5 - 6.9-24.2 H ILE 37 - HD3 LYS 26 far 4 87 5 - 7.3-22.5 H LYS 36 - HD2 LYS 26 far 0 50 0 - 7.9-20.9 H THR 18 - HD2 LYS 26 far 0 90 0 - 7.9-22.9 H LYS 36 - HD2 LYS 31 far 0 52 0 - 7.9-13.4 H ASP 64 - HD2 LYS 26 far 0 89 0 - 8.0-38.3 H THR 18 - HD3 LYS 26 far 0 85 0 - 8.2-22.9 H THR 18 - HD2 LYS 31 far 0 92 0 - 8.2-24.5 H LYS 36 - HD3 LYS 31 far 0 50 0 - 8.3-13.7 H ILE 37 - HD2 LYS 26 far 0 92 0 - 8.4-23.1 H THR 18 - HD2 LYS 24 far 0 92 0 - 8.7-17.8 H ILE 37 - HD2 LYS 31 far 0 94 0 - 9.2-15.1 H ASP 64 - HD3 LYS 26 far 0 83 0 - 9.3-37.1 H THR 18 - HD3 LYS 24 far 0 90 0 - 9.8-17.5 H LYS 36 - HD3 LYS 24 far 0 50 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 1039 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 5.75 A): 6 out of 20 assignments used, quality = 1.00: * H LYS 36 + HD3 LYS 36 OK 100 100 100 100 1.9-4.4 6392/3.5=98, 6394/3.0=98...(69) H LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.9-4.7 6392/3.5=98, 6394/3.0=98...(68) H SER 38 + HD3 LYS 36 OK 82 93 100 88 4.3-6.4 4.2/10818=46...(6) H SER 38 + HD2 LYS 36 OK 67 93 85 84 4.9-8.0 6426/10918=38...(5) H ILE 37 + HD3 LYS 36 OK 60 60 100 100 1.9-3.9 ~10817=51, 4.0/10818=47...(15) H ILE 37 + HD2 LYS 36 OK 60 60 100 100 2.0-4.2 ~10817=51, 6405/3.5=44...(14) H LYS 36 - HD3 LYS 26 far 4 87 5 - 6.4-20.3 H THR 18 - HD3 LYS 31 far 0 64 0 - 6.9-24.2 H ILE 37 - HD3 LYS 26 far 0 46 0 - 7.3-22.5 H LYS 36 - HD2 LYS 26 far 0 92 0 - 7.9-20.9 H THR 18 - HD2 LYS 26 far 0 64 0 - 7.9-22.9 H LYS 36 - HD2 LYS 31 far 0 94 0 - 7.9-13.4 H THR 18 - HD3 LYS 26 far 0 59 0 - 8.2-22.9 H THR 18 - HD2 LYS 31 far 0 66 0 - 8.2-24.5 H LYS 36 - HD3 LYS 31 far 0 92 0 - 8.3-13.7 H ILE 37 - HD2 LYS 26 far 0 50 0 - 8.4-23.1 H THR 18 - HD2 LYS 24 far 0 66 0 - 8.7-17.8 H ILE 37 - HD2 LYS 31 far 0 52 0 - 9.2-15.1 H THR 18 - HD3 LYS 24 far 0 64 0 - 9.8-17.5 H LYS 36 - HD3 LYS 24 far 0 92 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 1040 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 4.42 A): 9 out of 70 assignments used, quality = 1.00: * HA LYS 36 + HD3 LYS 36 OK 100 100 100 100 4.1-5.2 5.3=59, 3.0/1042=40...(30) HA LYS 36 + HD2 LYS 36 OK 100 100 100 100 4.2-5.0 5.3=59, 3.0/1031=40...(30) HA LYS 31 + HD2 LYS 31 OK 93 94 100 100 2.0-4.9 5.2=61, 822/2.9=32...(34) HA LYS 31 + HD3 LYS 31 OK 91 92 100 100 2.0-4.8 5.2=61, 822/2.9=32...(34) HA LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.5-5.2 5.0=70, ~6253=37...(32) HA LYS 26 + HD2 LYS 26 OK 63 90 70 100 3.8-5.5 5.0=70, ~6253=37...(32) HA LEU 22 + HD2 LYS 24 OK 31 92 55 62 2.0-8.9 401/10812=21, ~1309=13...(12) HA THR 25 + HD3 LYS 26 OK 25 73 35 98 4.3-7.0 11150/2.9=67...(16) HA LEU 22 + HD3 LYS 24 OK 23 89 45 57 1.9-8.8 ~1309=13, 11967/3.0=10...(12) HA THR 25 - HD2 LYS 26 poor 20 78 25 - 3.0-7.4 HA ARG 23 - HD3 LYS 24 far 13 86 15 - 3.7-7.9 HA ARG 23 - HD2 LYS 24 far 9 88 10 - 4.8-8.7 HA LYS 31 - HD3 LYS 26 far 9 87 10 - 5.0-16.1 HA THR 25 - HD3 LYS 24 far 8 78 10 - 3.4-7.5 HA LYS 31 - HD2 LYS 26 far 5 92 5 - 3.8-16.5 HA LYS 19 - HD2 LYS 31 far 5 91 5 - 3.8-21.0 HA LEU 22 - HD3 LYS 31 far 4 89 5 - 5.1-21.9 HA LYS 19 - HD3 LYS 31 far 4 89 5 - 2.1-21.0 HA ARG 23 - HD2 LYS 26 far 4 86 5 - 2.1-11.5 HA ALA 21 - HD2 LYS 24 far 4 82 5 - 5.0-11.7 HA THR 25 - HD2 LYS 24 far 4 81 5 - 5.2-8.2 HA ARG 23 - HD3 LYS 26 far 4 80 5 - 3.6-11.3 HA ALA 16 - HD2 LYS 31 far 0 94 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 89 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 80 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 91 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 86 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 77 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 80 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 89 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 88 0 - 6.6-18.6 HA THR 18 - HD2 LYS 24 far 0 79 0 - 6.6-15.6 HA LEU 22 - HD2 LYS 31 far 0 92 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 81 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 90 0 - 6.9-14.5 HA LEU 22 - HD3 LYS 26 far 0 84 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 90 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 100 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 92 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 90 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 87 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 79 0 - 7.4-23.7 HA LYS 36 - HD2 LYS 31 far 0 94 0 - 7.5-14.9 HA THR 25 - HD3 LYS 31 far 0 78 0 - 7.5-18.2 HA LYS 36 - HD3 LYS 26 far 0 87 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 75 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 77 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 92 0 - 8.1-15.3 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 92 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 90 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 85 0 - 8.5-39.6 HA LYS 19 - HD2 LYS 26 far 0 89 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 94 0 - 8.7-21.9 HA THR 18 - HD2 LYS 26 far 0 77 0 - 8.8-21.0 HA LYS 31 - HD3 LYS 36 far 0 100 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 99 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 83 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 92 0 - 9.1-41.6 HA ALA 110 - HD2 LYS 24 far 0 90 0 - 9.2-49.0 HA ALA 12 - HD3 LYS 26 far 0 82 0 - 9.4-36.0 HA LYS 31 - HD3 LYS 24 far 0 92 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 82 0 - 9.5-28.9 HA THR 18 - HD3 LYS 26 far 0 71 0 - 9.6-21.2 HA ALA 21 - HD2 LYS 31 far 0 82 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 99 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 90 0 - 9.7-20.9 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 4.10 A): 8 out of 51 assignments used, quality = 1.00: HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 * HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.3-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 93 93 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.3-4.0 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 2.0-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.2-4.2 3.5=100 HB ILE 32 - HD2 LYS 36 far 15 100 15 - 4.6-8.0 HB ILE 32 - HD2 LYS 26 far 14 92 15 - 4.4-15.8 HB ILE 32 - HD2 LYS 31 far 9 94 10 - 4.9-9.0 HB ILE 32 - HD3 LYS 31 far 9 92 10 - 4.6-9.2 HB3 LYS 24 - HD2 LYS 26 far 9 91 10 - 2.5-11.6 HB3 ARG 23 - HD2 LYS 26 far 9 90 10 - 4.3-13.4 HB3 LYS 24 - HD3 LYS 26 far 9 86 10 - 2.8-11.2 HB3 LYS 31 - HD2 LYS 26 far 5 91 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 5 91 5 - 4.3-19.1 HB ILE 32 - HD3 LYS 26 far 4 87 5 - 4.8-14.9 HB3 LYS 31 - HD3 LYS 26 far 4 86 5 - 3.8-14.8 HB3 ARG 23 - HD3 LYS 26 far 4 85 5 - 4.9-13.2 HB3 LYS 26 - HD3 LYS 31 far 0 92 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 94 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 90 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 100 0 - 5.8-9.4 HB3 LYS 19 - HD2 LYS 31 far 0 93 0 - 6.0-19.2 HB3 ARG 23 - HD2 LYS 24 far 0 92 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 94 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 93 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 92 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 91 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 86 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 87 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 91 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 8.1-15.6 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.2 HB3 LYS 19 - HD3 LYS 24 far 0 91 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 92 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 92 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.4-23.3 HB3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.7-12.8 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 94 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-21.9 HB2 CYS 79 - HD2 LYS 36 far 0 78 0 - 9.6-13.8 HB3 ARG 23 - HD2 LYS 36 far 0 99 0 - 9.8-24.4 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 10 assignments used, quality = 1.00: HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.2-4.2 3.5=94, 1064/3.0=21...(79) * HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=94, 1064/3.0=21...(79) HB3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.8-13.5 HB3 LYS 36 - HD2 LYS 26 far 0 92 0 - 6.3-21.6 HB3 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.8-13.9 HB3 LYS 36 - HD3 LYS 26 far 0 87 0 - 7.4-20.8 HB3 LEU 48 - HD3 LYS 26 far 0 82 0 - 8.0-38.0 HB3 LEU 48 - HD2 LYS 26 far 0 87 0 - 8.7-39.0 HB2 GLU 40 - HD3 LYS 36 far 0 92 0 - 9.6-12.9 HB2 GLU 40 - HD2 LYS 36 far 0 92 0 - 9.9-13.6 Violated in 1 structures by 0.00 A. Peak 1043 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 3.85 A): 8 out of 70 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.4-2.9 2.9=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 2.3-3.0 2.9=100 QB ALA 28 - HD2 LYS 26 far 14 91 15 - 4.6-9.5 QB ALA 29 - HD2 LYS 26 far 9 92 10 - 4.1-12.5 QB ALA 15 - HD2 LYS 31 far 5 94 5 - 3.7-21.3 QB ALA 29 - HD3 LYS 26 far 4 87 5 - 4.6-11.8 HG3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.1-16.0 QB ALA 16 - HD2 LYS 31 far 3 64 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 3 62 5 - 4.1-20.4 HG3 LYS 31 - HD2 LYS 26 far 0 87 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 92 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 92 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 86 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 91 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 78 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 94 0 - 5.8-10.1 QB ALA 28 - HD2 LYS 31 far 0 94 0 - 6.0-10.4 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.2-21.7 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 78 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 73 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 92 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 94 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 94 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 92 0 - 6.7-15.7 HG3 LYS 26 - HD3 LYS 31 far 0 92 0 - 7.0-14.6 HG2 LYS 36 - HD2 LYS 26 far 0 92 0 - 7.1-24.1 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 94 0 - 7.5-14.9 QB ALA 110 - HD2 LYS 24 far 0 94 0 - 7.9-42.6 QB ALA 29 - HD2 LYS 24 far 0 94 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 100 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.8 HG2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 97 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.5-15.7 HB2 LEU 42 - HD2 LYS 36 far 0 100 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 64 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 89 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 92 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 73 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 57 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 64 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 94 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 71 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 81 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 62 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 9.2-13.4 QB ALA 12 - HD2 LYS 26 far 0 69 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 73 0 - 9.5-28.4 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 87 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 78 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 97 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 92 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 3.28 A): 6 out of 37 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-2.9 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 2.6-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 62 62 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 60 60 100 100 2.3-3.0 2.9=100 HG13 ILE 32 - HD2 LYS 31 far 8 54 15 - 3.7-8.9 HG13 ILE 32 - HD3 LYS 31 far 8 52 15 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 26 far 5 52 10 - 3.0-13.6 HG3 LYS 24 - HD2 LYS 26 far 3 69 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 3 64 5 - 3.7-12.6 HG2 LYS 31 - HD3 LYS 26 far 3 55 5 - 3.8-15.2 HG13 ILE 32 - HD3 LYS 26 far 2 48 5 - 3.5-12.7 HG2 LYS 31 - HD2 LYS 26 far 0 60 0 - 4.4-16.1 HG3 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 63 0 - 5.5-10.0 HG3 LYS 19 - HD3 LYS 26 far 0 59 0 - 6.0-20.3 HG3 LYS 19 - HD3 LYS 31 far 0 64 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 64 0 - 6.4-20.6 HG3 LYS 36 - HD3 LYS 26 far 0 87 0 - 6.6-22.6 HG2 LYS 31 - HD2 LYS 36 far 0 71 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 63 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 69 0 - 7.5-22.9 HG2 LYS 31 - HD2 LYS 24 far 0 62 0 - 7.5-22.6 HG3 LYS 19 - HD2 LYS 31 far 0 66 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 71 0 - 7.9-22.8 HG2 LYS 31 - HD3 LYS 24 far 0 60 0 - 7.9-22.0 QB ALA 52 - HD2 LYS 26 far 0 83 0 - 8.0-36.3 HG13 ILE 32 - HD3 LYS 24 far 0 52 0 - 8.1-21.0 QB ALA 52 - HD3 LYS 26 far 0 78 0 - 8.2-35.4 HG LEU 42 - HD3 LYS 36 far 0 83 0 - 8.3-11.7 HG LEU 42 - HD2 LYS 36 far 0 83 0 - 8.4-13.0 HG2 LYS 31 - HD3 LYS 36 far 0 71 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 24 far 0 54 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 66 0 - 9.9-15.8 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 74 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 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 HE3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 4 86 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 91 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 87 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 87 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 97 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 89 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 97 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 94 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 97 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 87 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 97 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 89 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 89 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 97 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 89 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 92 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 91 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 84 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 93 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 89 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 87 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 89 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 87 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 99 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 82 0 - 6.8-16.1 HE3 LYS 31 - HD3 LYS 36 far 0 97 0 - 7.1-13.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 92 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 92 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 89 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 87 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 99 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 99 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 87 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 8.0-16.3 HE2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.2-15.6 HE3 LYS 19 - HD3 LYS 26 far 0 84 0 - 8.5-22.7 HE2 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.5-13.1 HE2 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 92 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 81 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 89 0 - 8.9-23.1 HE2 LYS 36 - HD3 LYS 31 far 0 92 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 86 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 19 - HD3 LYS 24 far 0 92 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 81 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 100 0 - 9.8-25.4 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 74 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 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 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 HE3 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 92 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 85 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 90 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 90 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 99 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 91 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 99 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 99 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 90 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 92 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 90 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 99 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 90 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 92 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 86 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 90 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 91 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 90 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 94 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.8-16.1 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 85 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 85 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 90 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 86 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.0-16.3 HE2 LYS 36 - HD2 LYS 31 far 0 93 0 - 8.2-15.6 HE3 LYS 19 - HD3 LYS 26 far 0 86 0 - 8.5-22.7 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.5-13.1 HE2 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 86 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.7-22.4 HG CYS 73 - HD3 LYS 36 far 0 71 0 - 8.8-12.2 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.9-23.1 HE2 LYS 36 - HD3 LYS 31 far 0 91 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.6-17.8 HG CYS 73 - HD2 LYS 36 far 0 71 0 - 9.7-13.5 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 1049 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 6.42 A): 6 out of 22 assignments used, quality = 1.00: * H ILE 37 + HD3 LYS 36 OK 100 100 100 100 1.9-3.9 6405/3.5=99, 6406/3.0=99...(15) H ILE 37 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 6405/3.5=99, 6406/3.0=99...(14) H SER 38 + HD3 LYS 36 OK 83 92 100 91 4.3-6.4 4.2/10818=51...(6) H SER 38 + HD2 LYS 36 OK 77 92 95 88 4.9-8.0 4.2/10912=42...(5) H LYS 36 + HD3 LYS 36 OK 60 60 100 100 1.9-4.4 6.1=100 H LYS 36 + HD2 LYS 36 OK 60 60 100 100 2.9-4.7 6.1=100 H LYS 36 - HD3 LYS 26 far 5 46 10 - 6.4-20.3 H THR 18 - HD3 LYS 31 far 5 90 5 - 6.9-24.2 H ILE 37 - HD3 LYS 26 far 4 87 5 - 7.3-22.5 H LYS 36 - HD2 LYS 26 far 0 50 0 - 7.9-20.9 H THR 18 - HD2 LYS 26 far 0 90 0 - 7.9-22.9 H LYS 36 - HD2 LYS 31 far 0 52 0 - 7.9-13.4 H ASP 64 - HD2 LYS 26 far 0 89 0 - 8.0-38.3 H THR 18 - HD3 LYS 26 far 0 85 0 - 8.2-22.9 H THR 18 - HD2 LYS 31 far 0 92 0 - 8.2-24.5 H LYS 36 - HD3 LYS 31 far 0 50 0 - 8.3-13.7 H ILE 37 - HD2 LYS 26 far 0 92 0 - 8.4-23.1 H THR 18 - HD2 LYS 24 far 0 92 0 - 8.7-17.8 H ILE 37 - HD2 LYS 31 far 0 94 0 - 9.2-15.1 H ASP 64 - HD3 LYS 26 far 0 83 0 - 9.3-37.1 H THR 18 - HD3 LYS 24 far 0 90 0 - 9.8-17.5 H LYS 36 - HD3 LYS 24 far 0 50 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 1051 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 19 out of 90 assignments used, quality = 1.00: * HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 5.6-6.5 6.0=100 HA LYS 36 + HE3 LYS 36 OK 99 99 100 100 4.7-6.5 6.0=100 HA LYS 19 + HE2 LYS 19 OK 99 99 100 100 4.1-6.6 6.4=100 HA LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.0-6.1 6.5=100 HA LYS 19 + HE3 LYS 19 OK 94 94 100 100 4.2-6.1 6.4=100 HA PHE 87 + HE3 LYS 86 OK 92 97 95 100 4.4-7.9 4.9/2704=92...(10) HA LYS 31 + HE3 LYS 31 OK 92 92 100 100 2.6-6.0 6.5=100 HA LYS 26 + HE2 LYS 26 OK 90 90 100 100 2.8-6.5 6.6=100 HA LYS 26 + HE3 LYS 26 OK 90 90 100 100 3.2-6.0 6.6=100 HA THR 25 + HE3 LYS 26 OK 78 78 100 100 3.2-7.5 11150/3.6=85, 582/7.1=63...(13) HA THR 25 + HE2 LYS 26 OK 74 78 95 100 2.8-7.9 11150/3.6=85, 582/7.1=63...(13) HA THR 25 + HE2 LYS 24 OK 60 90 70 96 6.1-9.0 ~544=46, 11128/5.1=45...(11) HA LEU 22 + HE3 LYS 24 OK 53 98 85 64 2.1-8.7 11967/4.0=24...(9) HA ARG 23 + HE2 LYS 24 OK 53 96 65 85 4.5-9.3 424/7.4=65, 1018/4.0=14...(15) HA ARG 23 + HE3 LYS 24 OK 52 95 65 84 4.1-9.5 424/7.4=65, 1018/4.0=14...(16) HA THR 25 + HE3 LYS 24 OK 51 89 60 95 4.8-9.1 ~544=46, 11128/5.1=45...(10) HA THR 18 + HE3 LYS 19 OK 45 83 55 98 4.8-9.2 ~10696=82, 226/7.3=57...(8) HA LEU 22 + HE2 LYS 24 OK 38 99 70 55 3.1-8.8 11967/4.0=24...(8) HA THR 18 + HE2 LYS 19 OK 35 89 40 98 6.1-8.5 ~10696=82, 226/7.3=57...(8) HA ALA 21 - HE3 LYS 24 poor 18 90 20 - 4.9-11.8 HA ARG 23 - HE2 LYS 26 poor 17 86 20 - 3.6-11.8 HA ARG 84 - HE3 LYS 86 poor 16 65 25 - 6.5-8.3 HA LYS 19 - HE3 LYS 24 far 15 97 15 - 4.4-14.4 HA LYS 26 - HE2 LYS 31 far 14 96 15 - 6.5-14.4 HA LYS 31 - HE2 LYS 26 far 14 92 15 - 6.2-16.8 HA SER 74 - HE3 LYS 86 far 13 90 15 - 7.4-12.0 HA LYS 19 - HE3 LYS 31 far 13 89 15 - 3.8-22.2 HA ARG 23 - HE3 LYS 26 far 13 86 15 - 3.1-11.4 HA LYS 19 - HE2 LYS 24 far 10 98 10 - 3.8-14.9 HA LYS 26 - HE3 LYS 24 far 10 98 10 - 7.1-11.8 HA LEU 22 - HE2 LYS 31 far 9 95 10 - 4.9-22.6 HA LYS 19 - HE2 LYS 31 far 9 94 10 - 4.9-21.3 HA LYS 31 - HE3 LYS 26 far 9 92 10 - 4.7-17.0 HA ARG 23 - HE2 LYS 31 far 9 92 10 - 4.9-18.7 HA LEU 22 - HE3 LYS 31 far 9 89 10 - 6.3-24.0 HA LEU 22 - HE2 LYS 26 far 9 89 10 - 7.2-15.6 HA THR 18 - HE3 LYS 24 far 9 87 10 - 7.2-14.7 HA ARG 23 - HE3 LYS 31 far 9 86 10 - 5.5-19.0 HA THR 25 - HE2 LYS 31 far 8 85 10 - 5.1-18.0 HA THR 25 - HE3 LYS 31 far 8 78 10 - 4.9-17.1 HA ALA 16 - HE2 LYS 19 lone 5 100 55 10 3.7-12.6 7131/7.3=2 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 6.8-21.9 HA ALA 12 - HE2 LYS 19 far 5 97 5 - 5.8-19.1 HA LYS 31 - HE3 LYS 19 far 5 97 5 - 6.1-21.9 HA ALA 16 - HE3 LYS 19 lone 5 97 50 10 4.0-12.0 7131/7.3=2 HA ALA 12 - HE3 LYS 19 far 5 93 5 - 6.0-19.5 HA ALA 15 - HE2 LYS 31 far 5 93 5 - 6.8-24.8 HA ALA 16 - HE3 LYS 31 far 5 92 5 - 7.5-25.7 HA ARG 23 - HE3 LYS 19 far 5 92 5 - 7.3-13.1 HA SER 74 - HE2 LYS 19 far 5 90 5 - 5.0-34.2 HA GLN 61 - HE3 LYS 26 far 5 90 5 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 5 90 5 - 7.5-13.4 HA LEU 22 - HE3 LYS 26 far 4 89 5 - 7.3-13.9 HA THR 18 - HE2 LYS 24 far 4 88 5 - 5.8-15.2 HA ALA 15 - HE3 LYS 31 far 4 87 5 - 6.9-26.0 HA ALA 21 - HE3 LYS 19 far 4 86 5 - 7.6-11.0 HA SER 74 - HE3 LYS 19 far 4 85 5 - 6.5-33.5 HA ALA 21 - HE2 LYS 26 far 4 80 5 - 7.7-18.0 HA ALA 15 - HE3 LYS 19 lone 1 93 35 3 5.6-14.5 HA ALA 15 - HE2 LYS 19 lone 1 97 30 3 4.2-14.7 HA ALA 21 - HE2 LYS 24 lone 1 91 30 3 6.3-12.4 HA ALA 16 - HE2 LYS 31 far 0 97 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 77 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 92 0 - 8.1-14.2 HA LYS 26 - HE2 LYS 19 far 0 99 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 96 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 92 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 90 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 80 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 99 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 83 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 89 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 92 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 99 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 86 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 99 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 96 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 92 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 100 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 80 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 90 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 97 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 89 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 87 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 98 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 77 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 87 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 95 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 99 0 - 10.0-41.1 Violated in 0 structures by 0.00 A. Peak 1052 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 6.11 A): 15 out of 71 assignments used, quality = 1.00: * HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.4 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.6-5.3 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.4-5.3 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 3.5-5.4 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.2-5.5 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 40 92 45 97 5.1-9.8 10825=39, 10825/1.8=27...(41) HB ILE 32 + HE2 LYS 31 OK 37 97 40 96 5.0-10.0 10825/1.8=36, 10825=29...(35) HB ILE 32 + HE2 LYS 26 OK 37 92 40 100 4.9-16.7 10833/3.0=93, ~10767=59...(30) HB ILE 32 + HE3 LYS 26 OK 23 92 25 100 4.6-16.1 10833/3.0=93, ~10767=59...(30) HB3 ARG 23 - HE3 LYS 24 poor 20 98 20 - 4.8-9.8 HB3 LYS 26 - HE2 LYS 31 poor 19 97 20 - 5.9-13.4 HB ILE 32 - HE2 LYS 36 far 15 100 15 - 4.4-10.1 HB3 ARG 23 - HE2 LYS 24 far 15 99 15 - 4.3-10.0 HB3 LYS 19 - HE2 LYS 31 far 14 96 15 - 6.1-19.6 HB3 LYS 24 - HE2 LYS 26 far 14 91 15 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 14 91 15 - 4.9-20.5 HB3 ARG 23 - HE3 LYS 26 far 14 90 15 - 4.7-12.6 HB3 LYS 19 - HE2 LYS 24 far 10 99 10 - 6.3-15.6 HB3 ARG 23 - HE2 LYS 31 far 10 96 10 - 4.6-20.4 HB3 LYS 24 - HE3 LYS 26 far 9 91 10 - 2.2-9.7 HB2 LYS 36 - HE3 LYS 31 far 9 92 10 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 9 92 10 - 6.8-13.2 HB3 ARG 23 - HE2 LYS 26 far 9 90 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 31 far 9 90 10 - 5.9-19.8 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 26 - HE3 LYS 24 far 5 99 5 - 7.0-14.0 HB3 LYS 19 - HE3 LYS 24 far 5 99 5 - 5.9-15.4 HB3 LYS 24 - HE2 LYS 31 far 5 97 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 19 far 5 96 5 - 4.4-20.0 HB3 ARG 23 - HE3 LYS 19 far 5 96 5 - 5.9-13.1 HB2 LYS 36 - HE3 LYS 26 far 5 92 5 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 5 92 5 - 6.2-21.1 HB3 LYS 24 - HE3 LYS 31 far 5 91 5 - 5.6-21.1 HB3 LYS 31 - HE3 LYS 26 far 5 91 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 91 5 - 6.0-15.4 HB3 LYS 19 - HE2 LYS 26 far 5 91 5 - 6.7-19.5 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 78 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 98 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 99 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 97 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 100 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 99 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 96 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 98 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 91 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 99 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 76 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 99 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 78 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 97 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 78 0 - 10.0-34.6 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 15 assignments used, quality = 1.00: * HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HB3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 3.5-5.3 4.9=100 HB2 ARG 90 - HE3 LYS 86 poor 10 60 75 22 5.1-9.1 11200/9660=14, 2.9/558=6 HB3 LYS 36 - HE3 LYS 31 far 0 92 0 - 6.6-13.9 HB3 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.2-13.1 HB3 LYS 36 - HE3 LYS 26 far 0 92 0 - 7.2-21.2 HB3 ARG 84 - HE3 LYS 86 far 0 82 0 - 7.5-10.2 HB3 LYS 36 - HE2 LYS 26 far 0 92 0 - 7.6-21.1 HB2 GLU 40 - HE3 LYS 36 far 0 90 0 - 7.9-14.2 HB3 LEU 48 - HE2 LYS 26 far 0 87 0 - 8.0-38.1 HB2 ARG 135 - HE3 LYS 86 far 0 86 0 - 8.2-13.7 HB2 GLU 40 - HE2 LYS 36 far 0 92 0 - 9.2-14.0 HB3 LEU 48 - HE3 LYS 26 far 0 87 0 - 9.3-39.0 HB3 LEU 48 - HE2 LYS 24 far 0 97 0 - 9.7-37.8 HB3 LEU 48 - HE3 LYS 24 far 0 96 0 - 9.8-37.2 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 5.35 A): 10 out of 79 assignments used, quality = 1.00: * HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-4.0 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 2.1-3.9 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.0-4.1 3.6=100 HG2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.7-4.1 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 85 85 100 100 2.2-4.2 3.8=100 QB ALA 15 - HE3 LYS 19 poor 19 97 20 - 3.2-11.4 QB ALA 29 - HE2 LYS 26 poor 18 92 20 - 4.4-12.8 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.1-11.2 QB ALA 28 - HE3 LYS 26 far 14 91 15 - 5.3-9.8 QB ALA 29 - HE2 LYS 31 far 10 97 10 - 4.7-10.3 QB ALA 28 - HE2 LYS 31 far 10 97 10 - 4.8-10.9 QB ALA 29 - HE3 LYS 26 far 9 92 10 - 5.3-12.0 QB ALA 28 - HE2 LYS 26 far 9 91 10 - 5.7-10.5 QB ALA 12 - HE2 LYS 19 far 8 80 10 - 4.0-16.7 QB ALA 12 - HE3 LYS 19 far 7 75 10 - 3.8-17.0 QB ALA 28 - HE2 LYS 19 far 5 100 5 - 2.2-17.8 HB2 LEU 42 - HE2 LYS 36 far 5 100 5 - 6.1-12.1 HG3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.9-12.5 HG3 LYS 26 - HE3 LYS 24 far 5 99 5 - 4.3-13.1 HB2 LEU 42 - HE3 LYS 36 far 5 99 5 - 5.9-12.4 HG2 LYS 24 - HE2 LYS 31 far 5 97 5 - 4.0-21.2 QB ALA 28 - HE3 LYS 19 far 5 97 5 - 3.2-17.3 QB ALA 15 - HE2 LYS 31 far 5 97 5 - 4.7-19.7 HG3 LYS 26 - HE2 LYS 31 far 5 97 5 - 5.7-14.7 HG3 LYS 31 - HE3 LYS 19 far 5 93 5 - 6.2-20.2 HG2 LYS 24 - HE3 LYS 31 far 5 92 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 5 92 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 5 92 5 - 4.8-12.5 QB ALA 29 - HE3 LYS 31 far 5 92 5 - 5.3-10.3 QB ALA 15 - HE3 LYS 31 far 5 92 5 - 5.3-20.9 QB ALA 28 - HE3 LYS 31 far 5 91 5 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 26 far 4 87 5 - 5.2-15.5 QB ALA 16 - HE2 LYS 31 far 3 68 5 - 4.9-20.9 QB ALA 16 - HE3 LYS 31 far 3 62 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 19 lone 2 73 50 6 3.3-11.4 213/7.3=1 QB ALA 16 - HE3 LYS 19 lone 2 68 50 7 4.2-11.0 213/7.3=1 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 97 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 99 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 100 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 78 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 78 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 99 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 100 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 90 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 92 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 69 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 73 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 99 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 96 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 92 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 89 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 100 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 97 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 99 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 85 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 71 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 78 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 69 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 75 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 92 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 99 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 79 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 69 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 1055 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 5.86 A): 10 out of 46 assignments used, quality = 1.00: * HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.5-3.9 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.1-4.0 4.0=100 HG3 LYS 86 + HE3 LYS 86 OK 98 98 100 100 3.5-3.8 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 80 80 100 100 2.1-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 79 79 100 100 2.0-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 76 76 100 100 2.2-4.2 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 31 OK 22 58 40 95 2.7-10.2 ~10825=23, 2.9/10825=23...(43) HG13 ILE 32 - HE3 LYS 31 poor 20 52 40 95 3.5-9.5 2.9/10825=30...(44) HG13 ILE 32 - HE2 LYS 26 poor 16 52 30 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 poor 13 52 25 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 7 69 10 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 7 69 10 - 4.4-11.8 HG2 LYS 31 - HE3 LYS 26 far 6 60 10 - 4.3-16.8 HG2 LYS 31 - HE2 LYS 26 far 6 60 10 - 6.0-16.7 HG3 LYS 36 - HE3 LYS 26 far 5 92 5 - 5.6-23.2 HG3 LYS 36 - HE2 LYS 26 far 5 92 5 - 6.2-22.9 HG LEU 42 - HE2 LYS 36 far 4 83 5 - 6.0-12.3 HG LEU 42 - HE3 LYS 36 far 4 81 5 - 6.7-12.4 HG3 LYS 24 - HE2 LYS 31 far 4 75 5 - 5.6-22.4 HG3 LYS 24 - HE3 LYS 31 far 3 69 5 - 5.9-22.5 HG3 LYS 19 - HE2 LYS 26 far 3 64 5 - 6.4-20.1 HG3 LYS 19 - HE3 LYS 31 far 3 64 5 - 6.7-20.3 HG13 ILE 32 - HE2 LYS 36 far 3 63 5 - 5.8-11.9 HG2 LYS 31 - HE2 LYS 24 far 0 70 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 65 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 70 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 58 0 - 7.1-21.0 HG3 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 61 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 63 0 - 7.3-22.7 HG2 LYS 31 - HE3 LYS 24 far 0 69 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 83 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 83 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 69 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 61 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 62 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 71 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 71 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 75 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 64 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 74 0 - 8.0-16.3 HG3 LYS 24 - HE2 LYS 19 far 0 80 0 - 8.5-16.5 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 92 assignments used, quality = 1.00: HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HD2 LYS 31 - HE2 LYS 24 far 5 98 5 - 5.5-24.6 HD2 LYS 26 - HE3 LYS 24 far 5 96 5 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 5 95 5 - 4.9-15.0 HD3 LYS 26 - HE3 LYS 24 far 5 94 5 - 3.7-14.5 HD3 LYS 24 - HE2 LYS 31 far 5 93 5 - 5.5-23.0 HD2 LYS 36 - HE2 LYS 26 far 5 92 5 - 5.5-22.6 HD2 LYS 36 - HE3 LYS 26 far 5 92 5 - 5.5-23.0 HD3 LYS 36 - HE3 LYS 26 far 5 92 5 - 5.6-24.6 HD3 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 4 87 5 - 5.1-11.5 HD3 LYS 24 - HE2 LYS 26 far 4 87 5 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 88 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 88 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 92 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 90 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 88 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 84 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 6.9-18.7 HD3 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 88 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 100 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 75 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 90 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 69 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 75 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 64 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 79 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 65 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.9-20.9 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 92 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 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 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HD2 LYS 31 - HE2 LYS 24 far 5 98 5 - 5.5-24.6 HD2 LYS 26 - HE3 LYS 24 far 5 96 5 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 5 95 5 - 4.9-15.0 HD3 LYS 26 - HE3 LYS 24 far 5 94 5 - 3.7-14.5 HD3 LYS 24 - HE2 LYS 31 far 5 93 5 - 5.5-23.0 HD2 LYS 36 - HE2 LYS 26 far 5 92 5 - 5.5-22.6 HD2 LYS 36 - HE3 LYS 26 far 5 92 5 - 5.5-23.0 HD3 LYS 36 - HE3 LYS 26 far 5 92 5 - 5.6-24.6 HD3 LYS 24 - HE3 LYS 31 far 4 87 5 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 4 87 5 - 5.1-11.5 HD3 LYS 24 - HE2 LYS 26 far 4 87 5 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 88 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 88 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 92 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 90 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 88 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 84 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 6.9-18.7 HD3 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 88 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 100 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 75 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 90 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 69 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 75 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 64 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 79 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 65 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.9-20.9 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 90 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 2.0-6.1 6.5=64, 822/3.7=38...(28) HA LYS 31 + HE3 LYS 31 OK 97 98 100 99 2.6-6.0 6.5=64, 822/3.7=38...(28) HA LYS 19 + HE3 LYS 19 OK 97 98 100 99 4.2-6.1 6.4=66, 627/3.8=32...(35) HA LYS 26 + HE3 LYS 26 OK 95 97 100 98 3.2-6.0 6.6=60, 627/3.6=35...(23) HA LYS 19 + HE2 LYS 19 OK 92 98 95 99 4.1-6.6 6.4=66, 627/3.8=32...(35) HA LYS 26 + HE2 LYS 26 OK 90 97 95 98 2.8-6.5 6.6=60, 627/3.6=35...(23) * HA LYS 36 + HE3 LYS 36 OK 90 100 90 100 4.7-6.5 6.0=81, 3.0/1064=48...(22) HA LYS 36 + HE2 LYS 36 OK 84 99 85 100 5.6-6.5 6.0=81, 3.0/1064=38...(22) HA THR 25 + HE3 LYS 26 OK 81 86 95 99 3.2-7.5 11150/3.6=77, 9587=61...(12) HA THR 25 + HE2 LYS 26 OK 77 86 90 99 2.8-7.9 11150/3.6=77...(13) HA PHE 87 + HE3 LYS 86 OK 77 97 80 99 4.4-7.9 4.9/2704=72...(10) HA LEU 22 + HE3 LYS 24 OK 29 99 55 54 2.1-8.7 11967/4.0=16...(9) HA LEU 22 + HE2 LYS 24 OK 25 96 60 44 3.1-8.8 11967/4.0=16, 282/4.0=9...(8) HA ALA 15 - HE2 LYS 19 poor 19 97 20 - 4.2-14.7 HA ARG 23 - HE3 LYS 24 poor 19 97 30 65 4.1-9.5 424/7.4=39, 833/4.0=10...(11) HA ARG 23 - HE2 LYS 24 poor 19 93 30 66 4.5-9.3 424/7.4=39, 833/4.0=10...(11) HA ALA 21 - HE3 LYS 24 poor 18 92 20 - 4.9-11.8 HA THR 25 - HE3 LYS 24 poor 18 90 20 - 4.8-9.1 HA THR 18 - HE3 LYS 19 poor 18 88 20 - 4.8-9.2 HA THR 25 - HE2 LYS 24 poor 17 86 20 - 6.1-9.0 HA ALA 21 - HE2 LYS 24 far 13 88 15 - 6.3-12.4 HA LYS 19 - HE3 LYS 24 far 10 99 10 - 4.4-14.4 HA ALA 15 - HE3 LYS 19 far 10 97 10 - 5.6-14.5 HA ARG 23 - HE2 LYS 31 far 10 96 10 - 4.9-18.7 HA LYS 19 - HE2 LYS 24 far 10 96 10 - 3.8-14.9 HA ARG 23 - HE2 LYS 26 far 9 93 10 - 3.6-11.8 HA ARG 23 - HE3 LYS 31 far 9 93 10 - 5.5-19.0 HA THR 25 - HE2 LYS 31 far 9 89 10 - 5.1-18.0 HA THR 18 - HE2 LYS 19 far 9 88 10 - 6.1-8.5 HA THR 25 - HE3 LYS 31 far 9 86 10 - 4.9-17.1 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 6.1-21.9 HA LEU 22 - HE2 LYS 31 far 5 98 5 - 4.9-22.6 HA LYS 31 - HE3 LYS 26 far 5 98 5 - 4.7-17.0 HA LYS 19 - HE2 LYS 31 far 5 98 5 - 4.9-21.3 HA LYS 31 - HE2 LYS 26 far 5 98 5 - 6.2-16.8 HA ALA 12 - HE2 LYS 19 far 5 97 5 - 5.8-19.1 HA ALA 12 - HE3 LYS 19 far 5 97 5 - 6.0-19.5 HA LEU 22 - HE3 LYS 31 far 5 96 5 - 6.3-24.0 HA LYS 19 - HE3 LYS 31 far 5 96 5 - 3.8-22.2 HA ARG 23 - HE3 LYS 26 far 5 93 5 - 3.1-11.4 HA SER 74 - HE2 LYS 19 far 4 89 5 - 5.0-34.2 HA THR 18 - HE2 LYS 24 far 4 84 5 - 5.8-15.2 HA ALA 16 - HE2 LYS 19 lone 2 100 35 7 3.7-12.6 7131/7.3=1 HA ALA 16 - HE3 LYS 19 lone 2 100 30 7 4.0-12.0 7131/7.3=1 HA LYS 26 - HE2 LYS 31 far 0 99 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 65 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 89 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 97 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 94 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 99 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 89 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 96 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 96 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 96 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 90 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 98 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 97 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 97 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 91 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 88 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 100 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 99 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 84 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 98 0 - 8.1-14.2 HA LYS 26 - HE2 LYS 19 far 0 99 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 96 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 98 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 97 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 88 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 97 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 88 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 96 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 91 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 91 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 100 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 99 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 98 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 98 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 88 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 86 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 90 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 94 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 99 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 84 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 94 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 97 0 - 10.0-41.1 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 5.25 A): 14 out of 71 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.2-4.6 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.4 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.2-5.5 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE2 LYS 31 OK 28 100 30 93 5.0-10.0 10825/1.8=29, 10825=25...(35) HB ILE 32 + HE3 LYS 31 OK 27 98 30 93 5.1-9.8 10825=33, 10825/1.8=22...(41) HB ILE 32 + HE2 LYS 26 OK 24 98 25 100 4.9-16.7 10833/3.0=78...(30) HB3 ARG 23 - HE3 LYS 24 far 15 99 15 - 4.8-9.8 HB ILE 32 - HE3 LYS 26 far 15 98 15 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 98 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 98 10 - 2.3-11.2 HB3 LYS 19 - HE3 LYS 31 far 10 97 10 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 26 far 10 97 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 10 97 10 - 4.7-12.6 HB ILE 32 - HE3 LYS 36 far 5 100 5 - 6.1-10.4 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB ILE 32 - HE2 LYS 36 far 5 99 5 - 4.4-10.1 HB3 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.9-13.4 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.9-15.4 HB3 LYS 31 - HE3 LYS 19 far 5 99 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 31 far 5 99 5 - 6.1-19.6 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 LYS 31 - HE3 LYS 26 far 5 97 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 97 5 - 6.0-15.4 HB3 ARG 23 - HE3 LYS 31 far 5 97 5 - 5.9-19.8 HB2 LYS 36 - HE3 LYS 26 far 0 98 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 97 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 78 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 98 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 97 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 96 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 99 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 98 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 100 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 78 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 76 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 77 0 - 10.0-34.6 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 15 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 99 100 100 99 3.5-5.3 4.9=73, 1031/3.0=40...(62) HB3 LYS 36 + HE2 LYS 36 OK 79 99 80 99 3.6-5.4 4.9=73, 1031/3.0=40...(65) HB2 ARG 90 - HE3 LYS 86 far 3 60 5 - 5.1-9.1 HB3 LYS 36 - HE3 LYS 31 far 0 98 0 - 6.6-13.9 HB3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-13.1 HB3 LYS 36 - HE3 LYS 26 far 0 98 0 - 7.2-21.2 HB3 ARG 84 - HE3 LYS 86 far 0 82 0 - 7.5-10.2 HB3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.6-21.1 HB2 GLU 40 - HE3 LYS 36 far 0 92 0 - 7.9-14.2 HB3 LEU 48 - HE2 LYS 26 far 0 94 0 - 8.0-38.1 HB2 ARG 135 - HE3 LYS 86 far 0 86 0 - 8.2-13.7 HB2 GLU 40 - HE2 LYS 36 far 0 90 0 - 9.2-14.0 HB3 LEU 48 - HE3 LYS 26 far 0 94 0 - 9.3-39.0 HB3 LEU 48 - HE2 LYS 24 far 0 94 0 - 9.7-37.8 HB3 LEU 48 - HE3 LYS 24 far 0 97 0 - 9.8-37.2 Violated in 1 structures by 0.00 A. Peak 1065 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 3.99 A): 10 out of 79 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 2.2-4.0 4.0=99 HG2 LYS 36 + HE2 LYS 36 OK 99 99 100 99 2.0-4.2 4.0=99 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.1 3.6=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-3.9 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.7-4.1 3.8=100 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.1-11.2 QB ALA 16 - HE2 LYS 19 poor 14 72 20 - 3.3-11.4 QB ALA 15 - HE3 LYS 19 far 10 100 10 - 3.2-11.4 QB ALA 12 - HE2 LYS 19 far 8 80 10 - 4.0-16.7 QB ALA 16 - HE3 LYS 19 far 7 72 10 - 4.2-11.0 HG3 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.3-13.1 QB ALA 28 - HE2 LYS 19 far 5 100 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 3.2-17.3 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 QB ALA 29 - HE2 LYS 26 far 5 98 5 - 4.4-12.8 HG2 LYS 24 - HE3 LYS 31 far 5 98 5 - 4.3-21.5 HG2 LYS 24 - HE3 LYS 26 far 5 98 5 - 4.7-11.5 HG2 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.8-12.5 QB ALA 12 - HE3 LYS 19 far 4 80 5 - 3.8-17.0 QB ALA 16 - HE3 LYS 31 far 3 69 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 0 72 0 - 4.9-20.9 HG3 LYS 31 - HE3 LYS 26 far 0 94 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 98 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 98 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 98 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 100 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 99 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 94 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 94 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 86 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 86 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 100 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 86 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 98 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 76 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 69 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 100 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 97 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 90 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 98 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 100 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 89 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 73 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 86 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 76 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 80 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 76 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 4.25 A): 9 out of 46 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.5-3.9 4.0=100 HG3 LYS 86 + HE3 LYS 86 OK 98 98 100 100 3.5-3.8 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 81 81 100 100 2.0-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 76 76 100 100 2.1-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 75 75 100 100 2.2-4.2 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 31 poor 19 62 30 - 2.7-10.2 HG13 ILE 32 - HE3 LYS 31 poor 18 59 30 - 3.5-9.5 HG13 ILE 32 - HE2 LYS 26 far 9 59 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 9 59 15 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 4 76 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 4 76 5 - 4.4-11.8 HG2 LYS 31 - HE3 LYS 26 far 3 67 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 31 far 0 80 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.6-23.2 HG13 ILE 32 - HE2 LYS 36 far 0 61 0 - 5.8-11.9 HG3 LYS 24 - HE3 LYS 31 far 0 76 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 67 0 - 6.0-16.7 HG LEU 42 - HE2 LYS 36 far 0 81 0 - 6.0-12.3 HG3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 72 0 - 6.4-20.1 HG3 LYS 19 - HE3 LYS 31 far 0 72 0 - 6.7-20.3 HG LEU 42 - HE3 LYS 36 far 0 83 0 - 6.7-12.4 HG2 LYS 31 - HE2 LYS 24 far 0 67 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 70 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 75 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 62 0 - 7.1-21.0 HG3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 63 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 62 0 - 7.3-22.7 HG2 LYS 31 - HE3 LYS 24 far 0 71 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 91 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 91 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 71 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 63 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 59 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 69 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 70 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 72 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 72 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 76 0 - 8.0-16.3 HG3 LYS 24 - HE2 LYS 19 far 0 80 0 - 8.5-16.5 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 92 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 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 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 2.2-3.0 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 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 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 2.2-3.0 3.0=100 HD2 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 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 80 80 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 96 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 97 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 92 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 94 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 97 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 76 0 - 6.9-18.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 94 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HD2 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 95 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 76 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 76 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 76 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 100 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 65 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 76 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 81 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 64 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.9-20.9 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 92 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 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 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 2.2-3.0 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 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 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 2.2-3.0 3.0=100 HD2 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 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 80 80 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 96 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 97 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 92 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 94 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 97 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 76 0 - 6.9-18.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 94 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HD2 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 95 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 76 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 76 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 76 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 100 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 65 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 76 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 81 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 64 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.9-20.9 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 2.6-2.9 2.9=100 H SER 38 + HA ILE 37 OK 92 92 100 100 2.1-3.5 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 2.7-3.0 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 5 assignments used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 100 100 2.0-2.2 3.2=100 QD1 LEU 49 - HA ILE 37 far 0 76 0 - 9.4-14.4 QG1 VAL 126 - HA ILE 37 far 0 81 0 - 9.6-12.0 QD1 LEU 48 - HA ILE 37 far 0 96 0 - 9.8-12.6 QG1 VAL 20 - HA ILE 37 far 0 63 0 - 9.9-23.7 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (1.28, 4.02, 61.28 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HA ILE 37 OK 100 100 100 100 3.3-3.5 4.0=100 HB3 LEU 43 - HA ILE 37 far 0 99 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 1077 from cnoeabs.peaks (1.56, 4.02, 61.28 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 100 100 3.9-4.2 4.0=100 HB3 LEU 42 + HA ILE 37 OK 31 89 40 88 4.0-6.0 1093/1089=30, ~10821=27...(8) Violated in 0 structures by 0.00 A. Peak 1078 from cnoeabs.peaks (0.78, 4.02, 61.28 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 37 + HA ILE 37 OK 100 100 100 100 2.1-3.4 1113=100, 1094/1089=74...(32) QD1 ILE 32 - HA ILE 37 far 0 100 0 - 6.8-10.8 QD2 LEU 43 - HA ILE 37 far 0 73 0 - 7.5-9.9 QG1 VAL 93 - HA ILE 37 far 0 60 0 - 9.5-12.7 Violated in 0 structures by 0.00 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 2.1-3.5 3.6=100 H ILE 37 + HA ILE 37 OK 92 92 100 100 2.6-2.9 2.9=100 H LYS 36 - HA ILE 37 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 3.1-3.5 6413=100, 6414/2.1=70...(23) H SER 38 + HB ILE 37 OK 91 92 100 100 2.9-4.0 6422=70, 6423/2.1=56...(22) H LYS 36 - HB ILE 37 far 0 60 0 - 4.8-5.5 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 4 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 38 - HB ILE 37 far 0 99 0 - 5.5-6.3 HD3 PRO 81 - HB ILE 37 far 0 89 0 - 8.8-11.9 HA GLN 68 - HB ILE 37 far 0 65 0 - 9.4-11.8 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 2 assignments used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HB ILE 37 far 0 63 0 - 8.8-24.4 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 1 assignment used, quality = 1.00: * HG12 ILE 37 + HB ILE 37 OK 100 100 100 100 2.4-2.7 2.9=100 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 2.3-2.5 2.9=100 HB3 LEU 42 - HB ILE 37 far 4 89 5 - 4.5-6.3 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 3.1-3.2 3.2=100 QD2 LEU 43 - HB ILE 37 far 0 73 0 - 7.9-10.8 QD1 ILE 32 - HB ILE 37 far 0 100 0 - 8.8-10.4 QG1 VAL 93 - HB ILE 37 far 0 60 0 - 9.8-11.1 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 2.9-4.0 6422=100, 6423/2.1=74...(22) H ILE 37 + HB ILE 37 OK 92 92 100 100 3.1-3.5 3.8=98, 6414/2.1=70...(24) H LYS 36 - HB ILE 37 far 0 93 0 - 4.8-5.5 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 3.2-3.6 6414=100, 6413/2.1=78...(24) H SER 38 + QG2 ILE 37 OK 92 92 100 100 2.4-4.2 6423=76, 3.6/1089=53...(25) H LYS 36 - QG2 ILE 37 far 0 60 0 - 4.5-5.4 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 2.0-2.2 3.2=100 HB2 SER 38 - QG2 ILE 37 far 0 99 0 - 4.8-6.8 HA GLN 68 - QG2 ILE 37 far 0 65 0 - 6.0-7.9 HD3 PRO 81 - QG2 ILE 37 far 0 89 0 - 8.0-11.0 HA GLU 44 - QG2 ILE 37 far 0 63 0 - 8.7-10.9 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 - 8.2-10.8 Violated in 1 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (1.56, 0.94, 17.33 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.3-2.7 3.2=100 HB3 LEU 42 + QG2 ILE 37 OK 61 89 90 76 2.9-5.0 3.2/10821=38...(6) 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 8 assignments used, quality = 1.00: * QD1 ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-2.2 1115=100, 2.1/1092=55...(34) QD2 LEU 43 - QG2 ILE 37 far 0 73 0 - 6.2-8.2 QD1 ILE 32 - QG2 ILE 37 far 0 100 0 - 6.3-9.5 QG1 VAL 93 - QG2 ILE 37 far 0 60 0 - 7.1-8.7 QD2 LEU 49 - QG2 ILE 37 far 0 87 0 - 8.5-10.4 QD1 LEU 96 - QG2 ILE 37 far 0 99 0 - 8.6-9.9 HG12 ILE 129 - QG2 ILE 37 far 0 60 0 - 9.6-11.5 QD2 LEU 122 - QG2 ILE 37 far 0 99 0 - 10.0-13.8 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 2.4-4.2 6423=100, 6422/2.1=66...(25) H ILE 37 + QG2 ILE 37 OK 92 92 100 100 3.2-3.6 6414=88, 6413/2.1=74...(24) H LYS 36 - QG2 ILE 37 far 5 93 5 - 4.5-5.4 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 1.5-1.8 6415=100, 6416/1.8=86...(22) H LYS 36 + HG12 ILE 37 OK 57 60 100 96 2.7-3.1 4.4/6415=43...(15) H SER 38 - HG12 ILE 37 far 14 92 15 - 2.0-5.2 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 3.3-3.5 1076=93, 1113/2.1=83...(30) HB2 SER 38 - HG12 ILE 37 far 0 99 0 - 5.4-7.8 HA GLN 68 - HG12 ILE 37 far 0 65 0 - 9.6-11.8 HA VAL 20 - HG12 ILE 37 far 0 57 0 - 9.7-26.8 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 2 assignments used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=100 QG1 VAL 20 - HG12 ILE 37 far 0 63 0 - 7.3-22.8 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 2 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 - 6.6-8.2 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): 3 out of 3 assignments used, quality = 1.00: H LYS 36 + HG12 ILE 37 OK 93 93 100 100 2.7-3.1 10894/2.9=54...(15) H ILE 37 + HG12 ILE 37 OK 92 92 100 100 1.5-1.8 6415=88, 6416/1.8=83...(22) * H SER 38 + HG12 ILE 37 OK 65 100 65 100 2.0-5.2 6424=72, 6423/1092=69...(18) Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (7.97, 1.56, 27.60 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 37 + HG13 ILE 37 OK 100 100 100 100 3.1-3.3 6416=100, 6415/1.8=84...(18) H LYS 36 + HG13 ILE 37 OK 49 60 90 91 4.4-4.8 4.4/6416=42, 1096/1.8=26...(12) H SER 38 - HG13 ILE 37 far 9 92 10 - 3.3-5.8 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 3.9-4.2 4.0=95, 1113/2.1=87...(29) HB2 SER 38 - HG13 ILE 37 far 0 99 0 - 6.5-8.6 HA GLN 68 - HG13 ILE 37 far 0 65 0 - 8.9-11.3 HA VAL 20 - HG13 ILE 37 far 0 57 0 - 9.3-27.2 Violated in 19 structures by 0.16 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 2.3-2.5 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 2 assignments used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.3-2.7 3.2=100 QG1 VAL 20 - HG13 ILE 37 far 0 63 0 - 7.4-23.1 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (1.28, 1.56, 27.60 ppm; 2.74 A): 1 out of 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 - 7.6-9.3 QG1 VAL 93 - HG13 ILE 37 far 0 60 0 - 9.5-11.5 QD2 LEU 43 - HG13 ILE 37 far 0 73 0 - 9.5-12.3 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 = 0.99: H LYS 36 + HG13 ILE 37 OK 92 93 100 99 4.4-4.8 10894/2.9=54...(12) H ILE 37 + HG13 ILE 37 OK 92 92 100 100 3.1-3.3 6416=88, 6415/1.8=82...(18) ! H SER 38 - HG13 ILE 37 far 15 100 15 - 3.3-5.8 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 4 assignments used, quality = 1.00: * H ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.8-2.4 6417=100, 6416/2.1=84...(25) H SER 38 + QD1 ILE 37 OK 92 92 100 100 3.7-4.7 6426=65, 3.6/1113=63...(22) H LYS 36 + QD1 ILE 37 OK 59 60 100 99 3.0-3.6 4.4/6417=44...(22) H THR 18 - QD1 ILE 37 far 0 99 0 - 9.8-23.4 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 4 assignments used, quality = 1.00: * HA ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-3.4 1078=99, 1089/1094=74...(32) HA GLN 68 - QD1 ILE 37 far 0 65 0 - 6.0-7.9 HB2 SER 38 - QD1 ILE 37 far 0 99 0 - 6.2-7.5 HA VAL 20 - QD1 ILE 37 far 0 57 0 - 8.9-20.8 Violated in 0 structures by 0.00 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 3.1-3.2 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 1.8-2.2 1094=100, 1092/2.1=53...(34) QG1 VAL 20 - QD1 ILE 37 far 0 63 0 - 6.9-17.8 QD1 LEU 49 - QD1 ILE 37 far 0 76 0 - 8.6-12.5 QD1 LEU 48 - QD1 ILE 37 far 0 96 0 - 9.1-10.8 QG1 VAL 126 - QD1 ILE 37 far 0 81 0 - 9.6-10.9 QG2 VAL 126 - QD1 ILE 37 far 0 63 0 - 9.6-11.4 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 - 9.9-12.2 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 - 5.3-6.8 HB2 LEU 22 - QD1 ILE 37 far 0 89 0 - 9.5-22.0 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 4 assignments used, quality = 1.00: * H SER 38 + QD1 ILE 37 OK 100 100 100 100 3.7-4.7 6426=86, 6423/1094=74...(22) H LYS 36 + QD1 ILE 37 OK 93 93 100 100 3.0-3.6 10894/1114=50...(22) H ILE 37 + QD1 ILE 37 OK 92 92 100 100 1.8-2.4 6417=88, 2.9/1113=78...(25) H THR 18 - QD1 ILE 37 far 0 98 0 - 9.8-23.4 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 2.6-2.9 3.0=100 H ILE 37 - HA SER 38 far 5 92 5 - 4.8-5.9 H LYS 36 - HA SER 38 far 0 93 0 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 1121 from cnoeabs.peaks (4.54, 4.54, 58.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HA SER 38 OK 100 100 - 100 Peak 1122 from cnoeabs.peaks (4.01, 4.54, 58.15 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 2.2-3.0 3.0=100 HA ILE 37 + HA SER 38 OK 82 99 85 97 4.4-5.0 3.2/10924=46...(16) HD3 PRO 81 - HA SER 38 far 0 76 0 - 7.1-10.1 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 2.3-2.9 3.0=100 HA ALA 34 - HA SER 38 far 0 100 0 - 5.6-8.6 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 2.3-2.7 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 2.8-4.0 3.9=100 H ILE 37 - HB2 SER 38 far 0 92 0 - 5.3-7.1 H LYS 36 - HB2 SER 38 far 0 93 0 - 6.1-8.6 Violated in 2 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 2.2-3.0 3.0=100 HA ASP 35 - HB2 SER 38 far 4 89 5 - 4.1-9.6 HA TYR 72 - HB2 SER 38 far 0 97 0 - 9.0-10.1 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 - 6.4-10.0 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 2.0-4.0 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 2.1-3.7 6429=100, 6421/1.8=42...(6) H ILE 37 - HB3 SER 38 far 14 92 15 - 3.9-6.0 H LYS 36 - HB3 SER 38 far 9 93 10 - 4.5-7.2 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 2.3-2.9 3.0=100 HA ASP 35 - HB3 SER 38 far 13 89 15 - 2.8-8.3 HA TYR 72 - HB3 SER 38 far 0 97 0 - 8.4-9.8 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 - 4.0-5.5 HD3 PRO 81 - HB3 SER 38 far 0 76 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (4.22, 4.22, 64.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 38 + HB3 SER 38 OK 100 100 - 100 Peak 1134 from cnoeabs.peaks (8.69, 4.22, 64.43 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 39 + HB3 SER 38 OK 99 100 100 99 3.5-4.2 6435=83, 1129/1.8=75...(9) Violated in 2 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 2.7-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 1136 from cnoeabs.peaks (3.40, 3.40, 59.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1137 from cnoeabs.peaks (1.76, 3.40, 59.82 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 80 - HA LYS 39 far 0 73 0 - 8.3-10.3 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 4 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 81 - HA LYS 39 far 0 65 0 - 5.8-11.8 HG3 GLN 134 - HA LYS 39 far 0 100 0 - 6.1-9.0 HB3 GLU 44 - HA LYS 39 far 0 100 0 - 7.1-9.9 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 2.4-3.6 4.0=100 HG3 LYS 39 + HA LYS 39 OK 78 78 100 100 2.1-3.5 4.0=100 QG1 VAL 132 - HA LYS 39 far 0 100 0 - 8.3-9.6 QG2 VAL 132 - HA LYS 39 far 0 100 0 - 9.1-9.9 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 2.1-3.5 4.0=100 QB ALA 41 + HA LYS 39 OK 82 93 100 88 4.9-5.3 3.7/6479=52, ~6466=31...(7) HG2 LYS 39 + HA LYS 39 OK 78 78 100 100 2.4-3.6 4.0=100 QG1 VAL 132 - HA LYS 39 far 0 68 0 - 8.3-9.6 QG2 VAL 77 - HA LYS 39 far 0 71 0 - 8.9-10.2 QG2 VAL 132 - HA LYS 39 far 0 87 0 - 9.1-9.9 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 4 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-4.9 5.3=100 HD3 LYS 36 - HA LYS 39 far 0 99 0 - 8.7-11.3 HB2 LEU 69 - HA LYS 39 far 0 98 0 - 9.0-12.3 HD2 LYS 36 - HA LYS 39 far 0 99 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (1.71, 3.40, 59.82 ppm; 5.94 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.9-5.0 5.3=100 HB2 LEU 43 + HA LYS 39 OK 93 93 100 100 4.7-6.5 3.2/9119=84, 3.2/9122=75...(27) HB ILE 80 - HA LYS 39 far 0 73 0 - 8.3-10.3 HG2 ARG 135 - HA LYS 39 far 0 100 0 - 9.8-13.1 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 5 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.0-5.7 5.9=100 HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.5-6.0 5.9=100 HB2 CYS 45 - HA LYS 39 far 10 97 10 - 7.4-9.4 HG CYS 73 - HA LYS 39 far 5 100 5 - 7.5-12.4 HE2 LYS 36 - HA LYS 39 far 0 68 0 - 8.2-12.4 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 4.5-6.0 5.9=100 HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.0-5.7 5.9=100 HB2 CYS 45 - HA LYS 39 far 9 92 10 - 7.4-9.4 HG CYS 73 - HA LYS 39 far 5 98 5 - 7.5-12.4 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 3.3-4.4 1338/10870=70, 6494=69...(20) H ASP 131 - HA LYS 39 far 0 97 0 - 9.4-10.4 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 3.2-4.1 6479=100, 1331/10870=78...(13) H GLN 134 - HA LYS 39 far 5 100 5 - 6.0-8.2 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 2.1-3.6 1.8/1148=93...(10) HG2 LYS 36 - HA LYS 39 far 0 100 0 - 7.6-12.4 Violated in 0 structures by 0.00 A. Peak 1148 from cnoeabs.peaks (1.54, 3.40, 59.82 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 2.5-4.8 1.8/1147=85, 1306=84...(8) HG13 ILE 37 - HA LYS 39 far 0 89 0 - 8.2-10.1 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 3 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.2 3.9=100 H SER 60 - HB2 LYS 24 far 0 39 0 - 7.8-42.3 H HIS 10 - HB2 LYS 19 far 0 32 0 - 8.6-27.4 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 2.5-3.0 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 14 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 LYS 31 far 1 26 5 - 2.8-10.8 HB3 GLN 27 - HB2 LYS 26 far 0 49 0 - 5.1-7.3 HG3 PRO 81 - HB2 LYS 39 far 0 65 0 - 5.6-12.3 HB3 GLN 27 - HB2 LYS 19 far 0 41 0 - 5.6-19.3 HG3 PRO 58 - HB2 LYS 24 far 0 52 0 - 5.7-43.4 HB2 GLN 61 - HB2 LYS 24 far 0 40 0 - 5.7-40.0 HG3 GLN 134 - HB2 LYS 39 far 0 100 0 - 6.0-9.5 HB3 GLN 61 - HB2 LYS 24 far 0 36 0 - 7.4-40.9 HB3 GLU 44 - HB2 LYS 39 far 0 100 0 - 8.1-11.1 HB3 GLN 27 - HB2 LYS 24 far 0 41 0 - 8.3-13.3 HB3 GLU 44 - HB2 LYS 24 far 0 54 0 - 8.9-30.8 HB VAL 57 - HB2 LYS 24 far 0 49 0 - 9.2-43.5 HB2 GLN 61 - HB2 LYS 26 far 0 47 0 - 9.5-39.3 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (1.13, 1.76, 32.42 ppm; 5.43 A): 2 out of 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 2.3-3.0 2.9=100 HG12 ILE 32 - HB2 LYS 26 poor 15 33 45 - 3.1-11.7 HG12 ILE 32 - HB2 LYS 24 far 1 28 5 - 5.8-18.0 HG12 ILE 32 - HB2 LYS 19 far 1 27 5 - 6.3-20.2 QG1 VAL 132 - HB2 LYS 39 far 0 100 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (1.16, 1.76, 32.42 ppm; 4.65 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 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 40 45 90 99 3.2-6.3 4.3/6149=67...(17) HG12 ILE 32 + HB2 LYS 31 OK 26 34 80 96 3.7-5.9 6354/4.6=64...(18) HG12 ILE 32 - HB2 LYS 26 poor 19 62 30 - 3.1-11.7 QG2 THR 18 - HB2 LYS 24 far 2 45 5 - 5.5-13.0 QG2 THR 18 - HB2 LYS 31 far 1 29 5 - 5.1-17.5 QB ALA 41 - HB2 LYS 39 far 0 93 0 - 5.7-6.7 HG12 ILE 32 - HB2 LYS 24 far 0 53 0 - 5.8-18.0 HG12 ILE 32 - HB2 LYS 19 far 0 53 0 - 6.3-20.2 QG1 VAL 132 - HB2 LYS 39 far 0 68 0 - 9.1-11.0 QG2 THR 18 - HB2 LYS 26 far 0 53 0 - 9.3-17.0 QB ALA 41 - HB2 LYS 26 far 0 54 0 - 9.4-21.1 QB ALA 41 - HB2 LYS 31 far 0 29 0 - 9.6-15.4 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 35 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HD2 LYS 26 + HB2 LYS 26 OK 49 49 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 46 46 100 100 1.9-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 43 43 100 100 3.0-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 41 41 100 100 1.9-4.1 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 2.0-4.0 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.3-3.6 3.9=100 HD2 LYS 26 - HB2 LYS 31 poor 7 26 25 - 2.4-13.9 HD3 LYS 26 - HB2 LYS 31 far 4 24 15 - 2.6-13.4 HD2 LYS 26 - HB2 LYS 24 far 2 41 5 - 3.8-12.9 HD3 LYS 31 - HB2 LYS 19 far 2 41 5 - 4.0-20.8 HD3 LYS 26 - HB2 LYS 24 far 2 39 5 - 3.3-12.3 HD2 LYS 31 - HB2 LYS 26 far 0 50 0 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 0 43 0 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 26 far 0 49 0 - 5.6-14.8 HD3 LYS 24 - HB2 LYS 26 far 0 49 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 43 0 - 7.3-20.7 HD3 LYS 31 - HB2 LYS 24 far 0 41 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 33 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 50 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 61 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 27 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 43 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 52 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 61 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 39 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 41 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 41 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 52 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 26 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 33 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 31 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 26 0 - 9.1-20.0 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 5 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HB2 LEU 43 - HB2 LYS 39 far 14 93 15 - 5.0-7.5 HG LEU 48 - HB2 LYS 24 far 0 54 0 - 7.8-36.4 HB ILE 80 - HB2 LYS 39 far 0 73 0 - 8.5-12.2 HB2 LEU 70 - HB2 LYS 24 far 0 54 0 - 9.9-34.7 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 11 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.3 4.9=100 HE2 LYS 24 + HB2 LYS 24 OK 33 33 100 100 2.8-5.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.1-4.6 5.1=100 HE2 LYS 24 - HB2 LYS 19 far 3 33 10 - 5.7-16.4 HE2 LYS 24 - HB2 LYS 26 far 2 39 5 - 7.5-13.7 HE2 LYS 19 - HB2 LYS 24 far 0 29 0 - 8.4-16.6 HE2 LYS 24 - HB2 LYS 31 far 0 21 0 - 8.8-21.2 HE2 LYS 36 - HB2 LYS 26 far 0 36 0 - 9.0-21.3 HE2 LYS 19 - HB2 LYS 26 far 0 34 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 97 0 - 9.8-11.7 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 6 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.3 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.8 4.9=100 HE2 LYS 24 + HB2 LYS 24 OK 28 28 100 100 2.8-5.4 5.1=100 HE2 LYS 24 - HB2 LYS 19 far 3 27 10 - 5.7-16.4 HE2 LYS 24 - HB2 LYS 26 far 2 33 5 - 7.5-13.7 HB2 CYS 45 - HB2 LYS 39 far 0 92 0 - 9.8-11.7 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 9 assignments used, quality = 0.99: * H GLU 40 + HB2 LYS 39 OK 99 100 100 99 2.1-3.7 4.7=83, 6448/3.9=55...(13) H GLU 30 - HB2 LYS 31 poor 17 26 65 - 4.7-6.1 H LEU 43 - HB2 LYS 39 far 5 99 5 - 5.2-6.2 H GLU 30 - HB2 LYS 26 far 2 49 5 - 5.0-11.0 H GLU 30 - HB2 LYS 19 far 2 41 5 - 5.1-18.8 H ALA 21 - HB2 LYS 19 far 0 29 0 - 5.4-6.8 H ALA 21 - HB2 LYS 24 far 0 29 0 - 7.4-10.3 H GLU 30 - HB2 LYS 24 far 0 41 0 - 7.4-16.7 H ALA 21 - HB2 LYS 26 far 0 34 0 - 8.0-14.9 Violated in 0 structures by 0.00 A. Peak 1160 from cnoeabs.peaks (8.69, 2.08, 32.42 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.0 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 2.3-3.0 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 - 7.8-10.6 Violated in 0 structures by 0.00 A. Peak 1163 from cnoeabs.peaks (2.08, 2.08, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Peak 1164 from cnoeabs.peaks (1.13, 2.08, 32.42 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.3-3.0 2.9=100 QG1 VAL 132 - HB3 LYS 39 far 0 100 0 - 8.2-10.6 QG2 VAL 132 - HB3 LYS 39 far 0 100 0 - 9.4-11.3 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 6 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.2-3.0 2.9=100 QB ALA 41 - HB3 LYS 39 far 5 93 5 - 5.8-7.0 QG1 VAL 132 - HB3 LYS 39 far 0 68 0 - 8.2-10.6 QG2 VAL 77 - HB3 LYS 39 far 0 71 0 - 9.0-11.5 QG2 VAL 132 - HB3 LYS 39 far 0 87 0 - 9.4-11.3 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 2.3-4.1 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 4 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.8 3.6=100 HB2 LEU 43 - HB3 LYS 39 far 0 93 0 - 5.8-7.9 HB ILE 80 - HB3 LYS 39 far 0 73 0 - 7.8-10.6 HG2 ARG 135 - HB3 LYS 39 far 0 100 0 - 9.7-13.2 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 3 assignments used, quality = 1.00: * H GLU 40 + HB3 LYS 39 OK 100 100 100 100 2.2-4.1 4.7=100 H LEU 43 + HB3 LYS 39 OK 36 99 40 92 5.2-6.4 6494/3.0=57...(9) H ASP 131 - HB3 LYS 39 far 0 97 0 - 10.0-12.0 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 2.4-3.6 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 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 1174 from cnoeabs.peaks (2.08, 1.13, 24.15 ppm; 4.99 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 134 + HG2 LYS 39 OK 49 100 55 90 4.7-7.5 10600/11806=34...(11) HG3 PRO 81 - HG2 LYS 39 poor 16 65 60 42 3.1-10.2 10144/1.8=15...(9) HB3 GLU 44 - HG2 LYS 39 far 0 100 0 - 7.0-11.8 HB3 GLN 82 - HG2 LYS 39 far 0 95 0 - 7.9-12.7 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 23 93 25 100 3.5-7.4 ~11901=61, 3.2/11806=43...(34) HG2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.5-10.7 HB ILE 80 - HG2 LYS 39 far 0 73 0 - 7.9-10.9 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 5 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-3.6 4.0=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.0 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 99 0 - 7.7-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 97 0 - 8.9-12.0 HG CYS 73 - HG2 LYS 39 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (2.93, 1.13, 24.15 ppm; 6.16 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.0 4.0=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-3.6 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 97 0 - 7.7-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 92 0 - 8.9-12.0 HG CYS 73 - HG2 LYS 39 far 0 98 0 - 9.7-15.1 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 3.4-5.2 1159/2.9=100...(17) H LEU 43 + HG2 LYS 39 OK 99 99 100 100 3.5-6.4 6494/4.0=81...(13) H ASP 131 - HG2 LYS 39 far 0 97 0 - 8.4-10.4 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 2.1-3.5 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 2.3-3.0 2.9=100 HB ILE 80 - HG3 LYS 39 far 0 73 0 - 8.1-11.0 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (2.08, 1.16, 24.15 ppm; 5.30 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 134 + HG3 LYS 39 OK 70 100 70 99 4.2-7.1 10600/11901=74...(12) HG3 PRO 81 - HG3 LYS 39 poor 13 65 40 50 4.2-11.8 10144=18, 10575/10567=14...(9) HB3 GLU 44 - HG3 LYS 39 far 0 100 0 - 6.9-10.4 HB3 GLN 82 - HG3 LYS 39 far 0 95 0 - 8.9-14.2 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 2 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 69 - HG3 LYS 39 far 0 98 0 - 9.9-14.0 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 2.2-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 93 93 100 100 4.2-5.9 3.2/11901=93...(34) HG2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.0-11.1 HB ILE 80 - HG3 LYS 39 far 0 73 0 - 8.1-11.0 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 2.0-3.6 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.8 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 99 0 - 8.4-12.3 HB2 CYS 45 - HG3 LYS 39 far 0 97 0 - 8.5-10.3 HG CYS 73 - HG3 LYS 39 far 0 100 0 - 8.8-14.1 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 2.6-3.8 4.0=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-3.6 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 97 0 - 8.4-12.3 HB2 CYS 45 - HG3 LYS 39 far 0 92 0 - 8.5-10.3 HG CYS 73 - HG3 LYS 39 far 0 98 0 - 8.8-14.1 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 3.1-4.9 1159/2.9=100...(19) H LEU 43 + HG3 LYS 39 OK 99 99 100 100 3.4-4.9 1338/10873=99...(15) H ASP 131 - HG3 LYS 39 far 0 97 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 1193 from cnoeabs.peaks (8.69, 1.68, 29.80 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.1-5.9 5.5=100 H PHE 89 + HD3 LYS 86 OK 40 60 70 94 7.5-7.9 7190/5.5=74, 9866/3.0=45...(6) H PHE 89 - HD2 LYS 86 poor 15 60 25 - 7.5-8.1 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 3.7-4.9 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 5 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HB ILE 80 + HD3 LYS 86 OK 37 37 100 100 3.4-4.8 2.1/11241=40, ~11877=38...(32) HB ILE 80 + HD2 LYS 86 OK 35 37 95 100 2.9-5.3 3.2/11224=44, ~11877=38...(33) HG3 ARG 90 - HD2 LYS 86 far 0 29 0 - 5.6-8.5 HG3 ARG 90 - HD3 LYS 86 far 0 29 0 - 5.8-8.4 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (2.08, 1.68, 29.80 ppm; 4.53 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HG3 GLN 134 + HD2 LYS 39 OK 42 100 45 93 3.1-8.1 10602/2.9=27...(18) HG3 PRO 81 - HD2 LYS 39 far 10 65 15 - 5.1-11.6 HB3 GLN 82 - HD3 LYS 86 far 0 53 0 - 7.2-9.8 HG3 PRO 81 - HD2 LYS 86 far 0 32 0 - 7.3-10.6 HB3 GLN 82 - HD2 LYS 86 far 0 53 0 - 7.5-9.6 HB3 GLU 44 - HD2 LYS 39 far 0 100 0 - 7.6-11.5 HG3 PRO 81 - HD3 LYS 86 far 0 32 0 - 7.9-10.5 HB3 GLN 82 - HD2 LYS 39 far 0 95 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 1197 from cnoeabs.peaks (1.13, 1.68, 29.80 ppm; 4.29 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HD2 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 86 far 0 59 0 - 7.3-8.2 QG1 VAL 132 - HD2 LYS 86 far 0 59 0 - 7.4-8.0 QG1 VAL 132 - HD2 LYS 39 far 0 100 0 - 8.7-10.3 QG2 VAL 132 - HD2 LYS 39 far 0 100 0 - 9.2-11.3 QG2 VAL 132 - HD3 LYS 86 far 0 59 0 - 9.5-10.2 QG2 VAL 132 - HD2 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 11 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QG2 VAL 77 + HD3 LYS 86 OK 35 35 100 100 2.4-4.2 ~11180=57, 11340/3.0=55...(34) QG2 VAL 77 + HD2 LYS 86 OK 35 35 100 100 3.1-4.2 2.1/11180=70...(35) QB ALA 41 - HD2 LYS 39 far 0 93 0 - 6.8-8.1 QG1 VAL 132 - HD3 LYS 86 far 0 34 0 - 7.3-8.2 QG1 VAL 132 - HD2 LYS 86 far 0 34 0 - 7.4-8.0 QG1 VAL 132 - HD2 LYS 39 far 0 68 0 - 8.7-10.3 QG2 VAL 132 - HD2 LYS 39 far 0 87 0 - 9.2-11.3 QG2 VAL 132 - HD3 LYS 86 far 0 46 0 - 9.5-10.2 QG2 VAL 132 - HD2 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): 2 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 OK 23 37 70 88 2.9-5.3 2.1/11241=15...(26) HB ILE 80 - HD3 LYS 86 far 2 37 5 - 3.4-4.8 HB2 LEU 43 - HD2 LYS 39 far 0 93 0 - 4.4-7.5 HG3 ARG 90 - HD2 LYS 86 far 0 45 0 - 5.6-8.5 HG3 ARG 90 - HD3 LYS 86 far 0 45 0 - 5.8-8.4 HG2 ARG 135 - HD2 LYS 39 far 0 100 0 - 7.6-12.6 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 5 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 31 31 100 100 2.4-3.0 3.0=100 HD2 ARG 135 - HD2 LYS 39 far 0 99 0 - 9.3-12.9 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 3 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 2.3-3.0 2.9=100 HD2 ARG 135 - HD2 LYS 39 far 0 97 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 1203 from cnoeabs.peaks (8.28, 1.68, 29.80 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 40 + HD2 LYS 39 OK 100 100 100 100 2.7-4.8 6454=64, 1159/3.6=63...(19) H LEU 43 + HD2 LYS 39 OK 26 99 30 87 4.3-7.2 6494/5.3=34...(13) H ASP 131 - HD2 LYS 39 far 0 97 0 - 8.9-11.2 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 4.6-5.6 5.5=98, 2.8/1205=77...(9) Violated in 1 structures by 0.01 A. Peak 1205 from cnoeabs.peaks (3.40, 1.71, 29.80 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.9-5.0 5.3=100 Violated in 0 structures by 0.00 A. Peak 1206 from cnoeabs.peaks (1.76, 1.71, 29.80 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HB ILE 80 - HD3 LYS 39 far 0 73 0 - 8.7-13.0 Violated in 0 structures by 0.00 A. Peak 1207 from cnoeabs.peaks (2.08, 1.71, 29.80 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 GLN 134 - HD3 LYS 39 poor 20 100 20 - 4.4-7.6 HG3 PRO 81 - HD3 LYS 39 poor 13 65 20 - 3.8-12.9 HB3 GLU 44 - HD3 LYS 39 far 0 100 0 - 8.0-12.6 HB3 GLN 82 - HD3 LYS 39 far 0 95 0 - 8.4-15.4 Violated in 0 structures by 0.00 A. Peak 1208 from cnoeabs.peaks (1.13, 1.71, 29.80 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 39 far 0 100 0 - 8.2-10.1 QG2 VAL 132 - HD3 LYS 39 far 0 100 0 - 9.0-11.0 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 5 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 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 - 6.7-8.7 QG1 VAL 132 - HD3 LYS 39 far 0 68 0 - 8.2-10.1 QG2 VAL 132 - HD3 LYS 39 far 0 87 0 - 9.0-11.0 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 2.2-3.0 2.9=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 99 0 - 8.7-12.7 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 2.3-3.0 2.9=100 HE2 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 97 0 - 8.7-12.7 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 3.1-5.7 1159/3.6=97, 3.6/1205=91...(17) H LEU 43 + HD3 LYS 39 OK 98 99 100 99 5.1-7.5 6494/1205=70...(11) H ASP 131 - HD3 LYS 39 far 0 97 0 - 9.5-11.1 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 4.0-5.7 5.9=87, 1205/2.9=78...(16) HA LYS 39 + HE3 LYS 39 OK 99 99 100 100 4.5-6.0 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 2.4-4.8 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 3.6-5.3 4.9=100 HB ILE 80 - HE2 LYS 39 far 0 73 0 - 8.3-12.2 HB ILE 80 - HE3 LYS 39 far 0 71 0 - 8.9-13.0 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 2.9-5.0 4.9=85, 3.0/1227=43...(12) HB3 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.1-5.3 4.9=85, ~1205=31...(12) HG3 GLN 134 + HE2 LYS 39 OK 83 100 85 98 2.2-6.4 10602=36, 10602/1.8=31...(16) HG3 GLN 134 + HE3 LYS 39 OK 77 99 80 97 2.2-7.2 10602=34, 10602/1.8=33...(16) HG3 PRO 81 - HE2 LYS 39 poor 11 65 35 47 3.4-11.7 10574/10577=16...(9) HG3 PRO 81 - HE3 LYS 39 poor 10 64 35 43 2.8-12.3 10574/10577=13...(8) HB3 GLU 44 - HE2 LYS 39 far 0 100 0 - 6.1-12.1 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 6.3-12.6 HB3 GLN 82 - HE3 LYS 39 far 0 93 0 - 7.0-14.4 HB3 GLN 82 - HE2 LYS 39 far 0 95 0 - 7.8-13.7 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 2.1-3.6 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.0-4.0 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 78 78 100 100 2.0-3.6 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 76 76 100 100 2.6-3.8 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.3-10.1 QG1 VAL 132 - HE3 LYS 39 far 0 99 0 - 7.3-10.9 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 99 0 - 8.3-11.5 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 2.0-3.6 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.6-3.8 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 78 78 100 100 2.1-3.6 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 76 76 100 100 2.0-4.0 4.0=100 QB ALA 41 - HE2 LYS 39 far 0 93 0 - 6.2-9.3 QB ALA 41 - HE3 LYS 39 far 0 92 0 - 6.3-9.4 QG1 VAL 132 - HE2 LYS 39 far 0 68 0 - 7.3-10.1 QG1 VAL 132 - HE3 LYS 39 far 0 66 0 - 7.3-10.9 QG2 VAL 132 - HE2 LYS 39 far 0 87 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 85 0 - 8.3-11.5 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.4-12.8 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 2.3-3.0 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): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 79 93 85 100 3.2-8.2 3.2/9123=48, 3.2/9120=46...(18) HB2 LEU 43 + HE3 LYS 39 OK 50 92 55 100 4.4-7.8 3.2/9120=48, 3.2/9123=44...(18) HG2 ARG 135 - HE2 LYS 39 far 5 100 5 - 6.0-11.7 HG2 ARG 135 - HE3 LYS 39 far 0 99 0 - 7.4-12.8 HB ILE 80 - HE2 LYS 39 far 0 73 0 - 8.3-12.2 HB ILE 80 - HE3 LYS 39 far 0 71 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 1223 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 Peak 1224 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1225 from cnoeabs.peaks (8.28, 2.93, 41.80 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 40 + HE2 LYS 39 OK 100 100 100 100 2.9-6.6 1159/4.9=86, 1203/2.9=78...(14) H GLU 40 + HE3 LYS 39 OK 99 99 100 100 2.3-6.8 1159/4.9=86, 1203/2.9=78...(14) H LEU 43 + HE2 LYS 39 OK 99 99 100 100 3.7-7.6 1338/9097=88...(14) H LEU 43 + HE3 LYS 39 OK 87 98 90 99 4.9-8.1 6494/5.9=63...(11) H ASP 131 - HE2 LYS 39 poor 15 97 30 53 7.4-11.9 1383/9123=23...(4) H ASP 131 - HE3 LYS 39 far 0 96 0 - 8.1-11.1 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 4.5-6.0 5.9=87, 1205/2.9=78...(14) HA LYS 39 + HE2 LYS 39 OK 99 99 100 100 4.0-5.7 5.9=87, 1205/2.9=78...(16) 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 3.6-5.3 4.9=100 HB2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.4-4.8 4.9=100 HB ILE 80 - HE2 LYS 39 far 0 71 0 - 8.3-12.2 HB ILE 80 - HE3 LYS 39 far 0 73 0 - 8.9-13.0 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 2.1-5.3 4.9=85, ~1205=31...(12) HB3 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.9-5.0 4.9=85, 3.0/1227=43...(12) HG3 GLN 134 + HE2 LYS 39 OK 82 99 85 97 2.2-6.4 10602=35, 10602/1.8=31...(16) HG3 GLN 134 + HE3 LYS 39 OK 77 100 80 97 2.2-7.2 10602=34, 10602/1.8=33...(16) HG3 PRO 81 - HE2 LYS 39 poor 10 64 35 47 3.4-11.7 10574/10577=16...(9) HG3 PRO 81 - HE3 LYS 39 poor 10 65 35 43 2.8-12.3 10574/10577=13...(8) HB3 GLU 44 - HE2 LYS 39 far 0 99 0 - 6.1-12.1 HB3 GLU 44 - HE3 LYS 39 far 0 100 0 - 6.3-12.6 HB3 GLN 82 - HE3 LYS 39 far 0 95 0 - 7.0-14.4 HB3 GLN 82 - HE2 LYS 39 far 0 93 0 - 7.8-13.7 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 2.0-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.1-3.6 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 78 78 100 100 2.6-3.8 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 76 76 100 100 2.0-3.6 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.3-10.1 QG1 VAL 132 - HE3 LYS 39 far 0 100 0 - 7.3-10.9 QG2 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 8.3-11.5 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 2.6-3.8 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-3.6 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 78 78 100 100 2.0-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 76 76 100 100 2.1-3.6 4.0=100 QB ALA 41 - HE2 LYS 39 far 0 92 0 - 6.2-9.3 QB ALA 41 - HE3 LYS 39 far 0 93 0 - 6.3-9.4 QG1 VAL 132 - HE2 LYS 39 far 0 66 0 - 7.3-10.1 QG1 VAL 132 - HE3 LYS 39 far 0 68 0 - 7.3-10.9 QG2 VAL 132 - HE2 LYS 39 far 0 85 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 87 0 - 8.3-11.5 QG2 VAL 77 - HE2 LYS 39 far 0 69 0 - 9.4-12.8 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 2.3-3.0 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): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 68 92 75 99 3.2-8.2 3.2/9123=41, 3.2/9120=40...(18) HB2 LEU 43 + HE3 LYS 39 OK 41 93 45 99 4.4-7.8 3.2/9120=43, 3.2/9123=38...(18) HG2 ARG 135 - HE2 LYS 39 far 5 99 5 - 6.0-11.7 HG2 ARG 135 - HE3 LYS 39 far 0 100 0 - 7.4-12.8 HB ILE 80 - HE2 LYS 39 far 0 71 0 - 8.3-12.2 HB ILE 80 - HE3 LYS 39 far 0 73 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 1234 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1235 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 Peak 1236 from cnoeabs.peaks (8.28, 2.93, 41.80 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 40 + HE3 LYS 39 OK 100 100 100 100 2.3-6.8 1159/4.9=86, 1203/2.9=78...(14) H GLU 40 + HE2 LYS 39 OK 99 99 100 100 2.9-6.6 1159/4.9=86, 1203/2.9=78...(14) H LEU 43 + HE2 LYS 39 OK 98 98 100 100 3.7-7.6 1338/9097=81...(14) H LEU 43 + HE3 LYS 39 OK 88 99 90 99 4.9-8.1 6494/5.9=63...(11) H ASP 131 - HE2 LYS 39 poor 14 96 30 50 7.4-11.9 1383/9123=22...(4) H ASP 131 - HE3 LYS 39 far 0 97 0 - 8.1-11.1 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 2.7-2.8 2.8=100 H LEU 43 + HA GLU 40 OK 99 99 100 100 3.4-4.4 3.9/6514=51...(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 2 assignments used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LYS 36 - HA GLU 40 far 0 92 0 - 8.7-13.5 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 2.3-3.0 3.0=100 HB2 GLU 44 - HA GLU 40 far 0 96 0 - 4.6-6.7 HB2 GLN 134 - HA GLU 40 far 0 92 0 - 7.4-10.3 HG3 PRO 81 - HA GLU 40 far 0 90 0 - 8.8-16.0 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 2.4-3.8 3.9=100 HG2 GLU 44 + HA GLU 40 OK 55 76 95 76 3.5-5.6 4.8/6514=35, 9065/4.9=24...(8) HB3 GLN 134 - HA GLU 40 far 0 92 0 - 6.8-9.9 Violated in 0 structures by 0.00 A. Peak 1242 from cnoeabs.peaks (2.39, 3.84, 59.43 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HA GLU 40 OK 100 100 100 100 2.6-3.7 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 3.4-4.4 6509/9055=51...(15) H GLU 40 + HA GLU 40 OK 99 99 100 100 2.7-2.8 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): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 43 + HA GLU 40 OK 99 100 100 99 2.4-4.5 3.2/9055=61, 3.2/9055=54...(14) HD3 LYS 39 + HA GLU 40 OK 52 93 60 94 3.3-6.7 ~1203=30, 1205/4.9=28...(17) 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 2 assignments used, quality = 0.95: * HB3 LEU 43 + HA GLU 40 OK 95 100 95 100 2.4-6.1 3.2/9055=82, 3.2/9055=76...(15) HG12 ILE 37 - HA GLU 40 far 0 99 0 - 9.7-12.0 Violated in 2 structures by 0.08 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 2.7-3.6 6459=100, 6460/1.8=80...(10) H LEU 43 - HB2 GLU 40 far 0 99 0 - 5.4-6.4 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 2.3-2.6 3.0=100 HB2 SER 130 - HB2 GLU 40 far 0 83 0 - 9.1-11.2 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 - 4.6-7.9 HB2 GLN 134 - HB2 GLU 40 far 0 92 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (2.31, 1.90, 28.28 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 44 + HB2 GLU 40 OK 29 76 80 49 2.7-7.0 1241/3.0=19, 1419/1.8=17...(4) HB3 GLN 134 - HB2 GLU 40 far 0 92 0 - 8.7-11.8 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 2.2-3.0 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 3.4-4.0 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 7 assignments used, quality = 1.00: * H GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.6 6460=100, 6459/1.8=82...(13) H LEU 43 - HB2 GLU 44 poor 18 84 25 88 4.5-6.3 3.9/6526=51...(9) H LEU 43 - HB3 GLU 40 far 0 99 0 - 5.6-6.0 H GLU 40 - HB2 GLU 44 far 0 87 0 - 6.3-8.4 H LEU 49 - HB2 GLU 44 far 0 61 0 - 7.3-8.9 H LEU 69 - HB2 GLU 44 far 0 69 0 - 8.9-10.8 H LEU 96 - HG2 ARG 90 far 0 77 0 - 9.5-10.8 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 6 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 40 - HB2 GLU 44 poor 17 87 20 - 4.6-6.7 HB2 SER 130 - HB2 GLU 44 far 0 65 0 - 7.4-10.5 HD2 PRO 81 - HG2 ARG 90 far 0 74 0 - 9.3-11.5 HB2 SER 130 - HB3 GLU 40 far 0 83 0 - 9.8-11.7 HB2 SER 50 - HB2 GLU 44 far 0 86 0 - 9.9-12.9 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 7 assignments used, quality = 1.00: * HB2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 + HG2 ARG 90 OK 69 69 100 100 2.2-3.0 2.9=100 HB2 GLU 40 - HB2 GLU 44 far 0 87 0 - 4.6-7.9 HB3 LEU 48 - HB2 GLU 44 far 0 85 0 - 5.2-8.2 HB3 LYS 36 - HB3 GLU 40 far 0 92 0 - 6.3-13.2 HB3 LYS 36 - HB2 GLU 44 far 0 75 0 - 8.3-13.5 HB3 LEU 49 - HB2 GLU 44 far 0 71 0 - 8.9-12.3 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): 4 out of 7 assignments used, quality = 1.00: * HG2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 44 + HB2 GLU 44 OK 59 59 100 100 2.2-2.9 3.0=100 HB VAL 77 + HG2 ARG 90 OK 58 59 100 100 2.4-4.2 ~9651=42, 2.1/9652=41...(29) HG2 GLU 44 + HB3 GLU 40 OK 37 76 75 64 3.4-7.4 1419=19, 1241/3.0=17...(7) HG2 GLU 40 - HB2 GLU 44 far 0 87 0 - 4.9-8.7 HG3 GLN 68 - HB2 GLU 44 far 0 82 0 - 7.2-9.3 HB3 GLN 134 - HB3 GLU 40 far 0 92 0 - 8.9-12.5 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 2.2-3.0 3.0=100 HG3 GLU 40 - HB2 GLU 44 far 0 87 0 - 5.3-8.7 HG3 GLU 97 - HG2 ARG 90 far 0 45 0 - 8.6-10.9 HG3 GLU 128 - HG2 ARG 90 far 0 43 0 - 9.2-12.8 HG2 GLU 128 - HG2 ARG 90 far 0 57 0 - 10.0-11.9 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 2.3-4.0 6471=100, 6470/1.8=77...(25) H ALA 41 - HB2 GLU 44 poor 17 87 20 - 4.5-6.5 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 4 assignments used, quality = 1.00: * H GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.9-4.5 6461=100, 1268/1.8=83...(12) H GLU 30 + HG3 GLU 30 OK 52 52 100 100 1.9-3.5 6320/1.8=73, 6318/3.0=70...(13) H LEU 43 - HG2 GLU 40 far 0 99 0 - 5.8-6.6 H ALA 21 - HG3 GLU 30 far 0 37 0 - 8.7-20.3 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 4 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.4-3.8 3.9=100 HB2 SER 130 - HG2 GLU 40 far 0 83 0 - 9.2-12.1 HD2 PRO 81 - HG2 GLU 40 far 0 97 0 - 9.5-15.0 HB3 SER 33 - HG3 GLU 30 far 0 63 0 - 9.6-14.1 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 3 assignments used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 36 - HG2 GLU 40 far 0 92 0 - 7.1-12.7 HB3 LYS 36 - HG3 GLU 30 far 0 57 0 - 9.7-14.9 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 2.3-3.0 3.0=100 HB3 GLU 30 + HG3 GLU 30 OK 55 55 100 100 2.9-3.0 3.0=100 HB3 GLN 27 - HG3 GLU 30 far 4 41 10 - 3.4-8.9 HB2 GLU 44 - HG2 GLU 40 far 0 96 0 - 4.9-8.7 HB2 GLN 134 - HG2 GLU 40 far 0 92 0 - 8.2-13.5 HG3 PRO 81 - HG2 GLU 40 far 0 90 0 - 9.2-16.8 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 1.9-4.6 6471/3.0=94, 6470/3.0=92...(23) Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (8.28, 2.39, 35.29 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.9-4.2 6462=92, 6461/1.8=73...(10) H LEU 43 - HG3 GLU 40 far 0 99 0 - 5.9-7.0 Violated in 1 structures by 0.01 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 2.6-3.7 3.9=95, 1262/1.8=78...(13) HB2 SER 130 - HG3 GLU 40 far 0 83 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (1.90, 2.39, 35.29 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 36 - HG3 GLU 40 far 0 92 0 - 5.6-14.0 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 2.2-3.0 3.0=100 HB2 GLU 44 - HG3 GLU 40 far 0 96 0 - 5.3-8.7 HB2 GLN 134 - HG3 GLU 40 far 0 92 0 - 7.8-13.4 HG3 PRO 81 - HG3 GLU 40 far 0 90 0 - 9.6-15.5 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 far 0 76 0 - 4.6-7.1 HB3 GLN 134 - HG3 GLU 40 far 0 92 0 - 7.1-12.4 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (2.39, 2.39, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HG3 GLU 40 OK 100 100 - 100 Peak 1274 from cnoeabs.peaks (7.89, 2.39, 35.29 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + HG3 GLU 40 OK 100 100 100 100 1.9-5.0 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 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1276 from cnoeabs.peaks (3.91, 3.91, 54.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 41 + HA ALA 41 OK 100 100 - 100 Peak 1277 from cnoeabs.peaks (1.17, 3.91, 54.68 ppm; 3.18 A): 1 out of 4 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 - 6.9-8.4 QG2 THR 25 - HA ALA 41 far 0 89 0 - 7.1-24.6 HG12 ILE 32 - HA ALA 41 far 0 99 0 - 9.1-18.8 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 3.3-4.1 6515=100, 6527/1409=80...(12) H TYR 72 - HA ALA 41 far 0 97 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (2.02, 3.91, 54.68 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 44 + HA ALA 41 OK 100 100 100 100 2.3-4.5 1.8/1409=84...(17) HB3 GLU 40 + HA ALA 41 OK 86 96 90 100 3.9-5.6 6471/2.9=61...(25) 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 2.0-4.7 1409=100, 6527/6515=57...(20) HB3 LYS 39 - HA ALA 41 far 0 100 0 - 7.4-8.5 Violated in 3 structures by 0.06 A. Peak 1282 from cnoeabs.peaks (7.89, 1.17, 17.90 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 41 + QB ALA 41 OK 100 100 100 100 2.0-2.2 3.0=100 H GLN 68 - QB ALA 41 far 0 65 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 1283 from cnoeabs.peaks (3.91, 1.17, 17.90 ppm; 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 41 + QB ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 33 - QB ALA 41 far 0 100 0 - 7.0-9.9 HA3 GLY 75 - QB ALA 41 far 0 99 0 - 7.6-10.3 HA ALA 46 - QB ALA 41 far 0 93 0 - 8.0-9.4 HA LEU 70 - QB ALA 41 far 0 63 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1284 from cnoeabs.peaks (1.17, 1.17, 17.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 41 + QB ALA 41 OK 100 100 - 100 Peak 1285 from cnoeabs.peaks (7.49, 1.17, 17.90 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 42 + QB ALA 41 OK 99 100 100 99 2.4-2.9 6484=95, 2.8/9066=35...(9) H GLN 134 - QB ALA 41 far 0 100 0 - 9.6-11.5 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 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.7-2.9 2.8=100 H GLN 134 - HA LEU 42 far 0 100 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (3.48, 3.48, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1288 from cnoeabs.peaks (1.38, 3.48, 59.85 ppm; 4.43 A): 1 out of 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 - 5.8-11.0 QB ALA 29 - HA LEU 42 far 0 100 0 - 9.3-18.0 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 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-2.6 3.0=100 HG13 ILE 37 - HA LEU 42 far 0 89 0 - 7.4-8.8 HG LEU 49 - HA LEU 42 far 0 63 0 - 8.3-11.3 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 2.5-2.8 3.7=100 HG LEU 69 - HA LEU 42 far 3 63 5 - 4.3-7.1 HG3 LYS 36 - HA LEU 42 far 0 83 0 - 6.9-10.5 HB2 LEU 49 - HA LEU 42 far 0 97 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (0.63, 3.48, 59.85 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 100 100 2.3-3.4 4.1=100 QD1 ILE 129 - HA LEU 42 far 0 99 0 - 7.9-9.1 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 3.6-3.9 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 5 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 69 - HA LEU 42 far 0 97 0 - 6.3-7.6 H GLU 40 - HA LEU 42 far 0 99 0 - 6.7-7.1 H LEU 49 - HA LEU 42 far 0 92 0 - 8.6-9.8 H ASP 131 - HA LEU 42 far 0 89 0 - 9.6-10.9 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 3.5-4.1 6535/3.6=92, 3.5/1295=89...(10) Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (2.94, 3.48, 59.85 ppm; 4.92 A): 2 out of 7 assignments used, quality = 1.00: * HB2 CYS 45 + HA LEU 42 OK 100 100 100 100 2.7-4.1 1439=92, 1.8/1445=80...(10) HG CYS 73 + HA LEU 42 OK 54 99 75 73 4.7-10.2 9097/1332=32...(4) HE2 LYS 36 - HA LEU 42 far 14 92 15 - 4.3-10.2 HE3 LYS 36 - HA LEU 42 far 4 85 5 - 4.7-10.1 HE2 LYS 39 - HA LEU 42 far 0 97 0 - 7.1-10.7 HE3 LYS 39 - HA LEU 42 far 0 92 0 - 8.1-11.2 HE3 LYS 26 - HA LEU 42 far 0 71 0 - 9.4-32.0 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 3.7-5.5 1445=100, 1.8/1295=99...(7) HB3 TYR 76 + HA LEU 42 OK 95 100 95 100 5.4-7.1 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 2.4-2.8 4.0=100 H GLN 134 - HB2 LEU 42 far 0 100 0 - 6.7-8.8 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 ILE 129 - HB2 LEU 42 far 0 93 0 - 7.8-8.8 HA VAL 77 - HB2 LEU 42 far 0 63 0 - 7.9-9.2 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 - 7.7-9.7 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 2.6-2.9 3.0=100 HG LEU 69 - HB2 LEU 42 far 0 63 0 - 6.0-8.8 HG3 LYS 36 - HB2 LEU 42 far 0 83 0 - 8.7-12.2 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (0.63, 1.38, 42.33 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.8-3.2 3.2=100 QD1 ILE 129 - HB2 LEU 42 far 0 99 0 - 7.8-8.6 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 1.9-2.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (8.29, 1.38, 42.33 ppm; 5.91 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 42 OK 100 100 100 100 2.1-2.6 4.6=100 H GLU 40 + HB2 LEU 42 OK 97 99 100 98 4.9-5.7 3.6/1147=79...(6) H ASP 131 - HB2 LEU 42 far 0 89 0 - 8.0-9.4 H LEU 69 - HB2 LEU 42 far 0 97 0 - 8.8-10.2 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 2.3-2.6 4.0=100 H GLN 134 - HB3 LEU 42 far 0 100 0 - 8.4-10.3 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 2.4-2.6 3.0=100 HA VAL 77 - HB3 LEU 42 far 0 63 0 - 7.5-8.9 HA ILE 129 - HB3 LEU 42 far 0 93 0 - 8.7-9.7 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 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 72 98 80 92 2.0-7.8 10703/3.1=35...(37) QB ALA 28 - HB2 LEU 22 far 10 98 10 - 4.3-15.2 HG3 LYS 31 - HB2 LEU 22 far 5 92 5 - 4.0-23.1 QB ALA 16 - HB2 LEU 22 far 3 65 5 - 5.4-12.8 HG2 LYS 36 - HB3 LEU 42 far 0 100 0 - 6.1-11.0 QB ALA 29 - HB2 LEU 22 far 0 98 0 - 6.1-16.2 HG3 LYS 26 - HB2 LEU 22 far 0 98 0 - 6.7-12.9 HG2 LYS 19 - HB2 LEU 22 far 0 90 0 - 7.9-10.0 QB ALA 12 - HB2 LEU 22 far 0 81 0 - 8.7-21.4 QB ALA 15 - HB2 LEU 22 far 0 98 0 - 9.1-15.7 QB ALA 110 - HB2 LEU 22 far 0 98 0 - 10.0-42.6 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 2.7-3.0 3.0=100 HG LEU 69 - HB3 LEU 42 far 0 63 0 - 5.7-9.0 HG3 LYS 36 - HB3 LEU 42 far 0 83 0 - 7.1-10.9 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 1.9-2.3 3.2=100 QD1 ILE 129 - HB3 LEU 42 far 0 99 0 - 7.9-9.0 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 2.6-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1314 from cnoeabs.peaks (8.29, 1.54, 42.33 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 100 100 3.5-3.8 4.6=100 H GLU 40 + HB3 LEU 42 OK 98 99 100 99 5.2-6.6 3.6/1148=94, 1305/1.8=48...(6) H ALA 21 + HB2 LEU 22 OK 78 79 100 99 4.7-5.9 4.6/6188=97, ~11967=34...(5) H GLU 30 - HB2 LEU 22 far 7 67 10 - 6.8-18.3 H LEU 69 - HB3 LEU 42 far 0 97 0 - 7.9-9.6 H ASP 131 - HB3 LEU 42 far 0 89 0 - 9.5-10.8 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 3 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 - 8.1-9.5 HE22 GLN 127 - HG LEU 42 far 0 98 0 - 9.5-13.7 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 2.5-2.8 3.7=100 HA ILE 129 - HG LEU 42 far 0 93 0 - 6.5-8.0 HA VAL 77 - HG LEU 42 far 0 63 0 - 8.0-9.5 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 4 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.6-2.9 3.0=100 HG2 LYS 36 - HG LEU 42 far 0 100 0 - 8.2-13.4 HG LEU 96 - HG LEU 42 far 0 85 0 - 9.2-10.0 HB2 LEU 96 - HG LEU 42 far 0 100 0 - 9.6-10.6 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 2.7-3.0 3.0=100 HG LEU 49 - HG LEU 42 far 0 63 0 - 8.0-10.6 HG13 ILE 37 - HG LEU 42 far 0 89 0 - 8.5-10.1 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 - 5.9-6.9 Violated in 0 structures by 0.00 A. Peak 1321 from cnoeabs.peaks (0.56, 1.49, 28.46 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1323 from cnoeabs.peaks (7.49, 0.63, 27.44 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 100 100 3.7-4.2 6489=98, 1331/2.1=78...(11) H GLN 134 - QD1 LEU 42 far 0 100 0 - 7.4-9.0 HE22 GLN 127 - QD1 LEU 42 far 0 98 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 1324 from cnoeabs.peaks (3.48, 0.63, 27.44 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.3-3.4 4.1=100 HA VAL 77 - QD1 LEU 42 poor 13 63 20 - 4.9-6.5 HA ILE 129 - QD1 LEU 42 far 5 93 5 - 5.5-7.0 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 7 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.8-3.2 3.2=100 HG2 LYS 36 - QD1 LEU 42 far 0 100 0 - 5.9-10.0 HG LEU 96 - QD1 LEU 42 far 0 85 0 - 7.4-8.5 HB2 LEU 96 - QD1 LEU 42 far 0 100 0 - 7.9-9.5 QB ALA 29 - QD1 LEU 42 far 0 100 0 - 8.9-14.6 HB3 LEU 100 - QD1 LEU 42 far 0 100 0 - 9.7-12.3 QB ALA 16 - QD1 LEU 42 far 0 68 0 - 9.7-27.1 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 1.9-2.3 3.2=100 HG13 ILE 37 - QD1 LEU 42 far 0 89 0 - 5.2-6.6 HG LEU 49 - QD1 LEU 42 far 0 63 0 - 8.5-10.4 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 poor 16 63 25 - 2.8-6.5 HG3 LYS 36 - QD1 LEU 42 far 0 83 0 - 6.0-9.8 HB2 LEU 49 - QD1 LEU 42 far 0 97 0 - 8.0-10.9 HG3 LYS 86 - QD1 LEU 42 far 0 96 0 - 8.5-10.1 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 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1330 from cnoeabs.peaks (8.29, 0.63, 27.44 ppm; 4.91 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 42 OK 100 100 100 100 4.6-4.9 6503=100, 1338/2.1=95...(17) H LEU 69 + QD1 LEU 42 OK 52 97 55 98 5.5-7.0 4.9/11062=54, ~9100=53...(11) H GLU 40 - QD1 LEU 42 far 0 99 0 - 6.4-7.6 H ASP 131 - QD1 LEU 42 far 0 89 0 - 7.4-8.5 H LEU 49 - QD1 LEU 42 far 0 92 0 - 8.5-10.0 H VAL 126 - QD1 LEU 42 far 0 100 0 - 8.9-10.0 H LEU 96 - QD1 LEU 42 far 0 95 0 - 9.1-9.9 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 4.0-4.3 6490=94, 2.8/1332=81...(11) H GLN 134 - QD2 LEU 42 poor 20 100 20 100 5.0-6.4 4256/10587=71...(10) HE22 GLN 127 - QD2 LEU 42 far 0 98 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (3.48, 0.56, 24.08 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.6-3.9 3.9=100 HA ILE 129 + QD2 LEU 42 OK 60 93 65 100 4.4-5.3 3.2/10486=73...(20) HA VAL 77 - QD2 LEU 42 far 6 63 10 - 4.9-6.7 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 4 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.1 3.1=100 HG2 LYS 36 - QD2 LEU 42 far 0 100 0 - 7.7-11.6 HG LEU 96 - QD2 LEU 42 far 0 85 0 - 8.1-9.2 HB2 LEU 96 - QD2 LEU 42 far 0 100 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (1.54, 0.56, 24.08 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.6-3.1 3.1=100 HG13 ILE 37 - QD2 LEU 42 far 0 89 0 - 7.0-8.7 HG LEU 49 - QD2 LEU 42 far 0 63 0 - 7.4-10.6 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 5 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 69 - QD2 LEU 42 far 3 63 5 - 3.5-6.9 HB2 LEU 49 - QD2 LEU 42 far 0 97 0 - 7.8-11.3 HG3 LYS 86 - QD2 LEU 42 far 0 96 0 - 7.8-10.0 HG3 LYS 36 - QD2 LEU 42 far 0 83 0 - 8.4-11.6 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 1.9-2.1 2.1=100 QD1 ILE 129 - QD2 LEU 42 far 0 99 0 - 4.7-5.6 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 2.9-3.7 6504=89, 3.6/1332=60...(20) H ASP 131 - QD2 LEU 42 far 0 89 0 - 5.3-6.3 H GLU 40 - QD2 LEU 42 far 0 99 0 - 5.6-6.5 H LEU 69 - QD2 LEU 42 far 0 97 0 - 6.9-8.7 H VAL 126 - QD2 LEU 42 far 0 100 0 - 8.3-9.7 H LEU 49 - QD2 LEU 42 far 0 92 0 - 8.5-10.3 H LEU 96 - QD2 LEU 42 far 0 95 0 - 9.3-10.2 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 6 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.9 2.8=100 H ASP 131 - HA LEU 43 far 0 89 0 - 6.0-7.1 H GLU 40 - HA LEU 43 far 0 99 0 - 7.1-7.8 H LEU 49 - HA LEU 43 far 0 92 0 - 7.2-8.4 H LEU 69 - HA LEU 43 far 0 97 0 - 8.9-10.5 H VAL 126 - HA LEU 43 far 0 100 0 - 9.7-10.8 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 4 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 - 6.6-9.0 HG13 ILE 129 - HA LEU 43 far 0 89 0 - 7.1-8.8 HG LEU 48 - HA LEU 43 far 0 93 0 - 9.1-10.5 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 2.3-3.0 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 2.6-3.6 3.7=100 HB2 LEU 69 - HA LEU 43 far 0 68 0 - 5.8-9.1 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (0.70, 3.78, 57.62 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.7-3.9 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 1.9-2.3 3.9=93, 2.1/1344=66...(17) HG12 ILE 129 - HA LEU 43 far 0 100 0 - 7.2-9.3 QD2 LEU 96 - HA LEU 43 far 0 99 0 - 7.3-8.5 QD1 LEU 96 - HA LEU 43 far 0 89 0 - 8.6-9.8 QG1 VAL 93 - HA LEU 43 far 0 100 0 - 9.4-10.6 QD1 ILE 37 - HA LEU 43 far 0 73 0 - 9.9-11.0 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 3.5-3.6 3.6=100 H TYR 72 - HA LEU 43 far 0 97 0 - 9.2-10.4 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 3.1-3.4 3.1/1348=94, 6531/3.6=91...(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 1.9-2.5 9176/1345=71...(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 2.4-4.5 9055/3.2=80, 1246/1.8=79...(15) HB2 SER 130 + HB2 LEU 43 OK 79 83 95 100 3.6-6.3 11805/3.2=85, ~10509=60...(20) HB2 SER 50 - HB2 LEU 43 far 0 100 0 - 9.5-12.4 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 2.3-3.6 3.9=100 H GLU 40 + HB2 LEU 43 OK 74 99 75 100 4.6-6.4 10927/3.2=60...(18) H ASP 131 - HB2 LEU 43 far 0 89 0 - 7.2-9.0 H LEU 49 - HB2 LEU 43 far 0 92 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 1351 from cnoeabs.peaks (3.78, 1.73, 40.91 ppm; 5.38 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 130 + HB2 LEU 43 OK 100 100 100 100 5.0-5.9 11747/3.2=89...(33) HB3 SER 130 + HB2 LEU 43 OK 64 99 65 100 4.4-7.0 10509/3.2=88...(30) HA VAL 133 - HB2 LEU 43 far 0 93 0 - 8.1-9.5 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 2 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 69 - HB2 LEU 43 far 0 68 0 - 8.3-11.7 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 2.2-2.6 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 QD2 LEU 96 - HB2 LEU 43 far 0 99 0 - 9.8-10.9 HG12 ILE 129 - HB2 LEU 43 far 0 100 0 - 9.9-11.8 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 2.3-3.2 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 3 assignments used, quality = 1.00: * HA GLU 40 + HB3 LEU 43 OK 100 100 100 100 2.4-6.1 1246=100, 9055/3.2=96...(15) HB2 SER 130 + HB3 LEU 43 OK 83 83 100 100 2.1-5.6 11805/3.2=96, ~10509=80...(19) HB2 SER 50 - HB3 LEU 43 far 0 100 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 1359 from cnoeabs.peaks (8.29, 1.28, 40.91 ppm; 5.18 A): 1 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 ASP 131 - HB3 LEU 43 far 13 89 15 - 5.5-9.1 H GLU 40 - HB3 LEU 43 far 10 99 10 - 4.7-7.7 H LEU 49 - HB3 LEU 43 far 0 92 0 - 8.1-10.4 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 2.3-3.0 3.0=100 HA SER 130 + HB3 LEU 43 OK 100 100 100 100 3.9-5.9 11747/3.2=84, ~11805=46...(30) HB3 SER 130 + HB3 LEU 43 OK 94 99 95 100 3.3-7.1 10509/3.2=83, ~11805=63...(28) HA VAL 133 - HB3 LEU 43 far 0 93 0 - 8.0-9.1 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 5 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 14 93 15 - 4.6-8.1 HG13 ILE 129 - HB3 LEU 43 far 0 89 0 - 8.7-10.7 HG LEU 48 - HB3 LEU 43 far 0 93 0 - 9.7-11.3 HG2 ARG 135 - HB3 LEU 43 far 0 89 0 - 9.8-13.0 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 2 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 69 - HB3 LEU 43 far 0 68 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (0.70, 1.28, 40.91 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.0-2.5 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 2.2-3.2 3.2=100 HG12 ILE 129 - HB3 LEU 43 far 0 100 0 - 8.4-11.1 QD2 LEU 96 - HB3 LEU 43 far 0 99 0 - 8.9-10.4 QD1 ILE 37 - HB3 LEU 43 far 0 73 0 - 9.9-12.2 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 2.4-4.1 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 1.9-2.7 4.6=100 H GLU 40 + HG LEU 43 OK 99 99 100 100 4.4-5.7 10927/2.1=98, ~9055=88...(22) H ASP 131 + HG LEU 43 OK 61 89 75 92 6.5-8.0 1383/2.1=47, 3.6/1368=42...(7) H ALA 21 - HG3 ARG 23 poor 14 51 75 36 4.8-9.1 4.7/6166=11, 4.3/398=10...(7) H GLU 30 - HG3 ARG 23 far 4 42 10 - 5.8-18.6 Violated in 0 structures by 0.00 A. Peak 1368 from cnoeabs.peaks (3.78, 1.64, 27.00 ppm; 4.86 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.6-3.6 3.7=100 HA SER 130 + HG LEU 43 OK 100 100 100 100 3.3-4.7 11747/2.1=92, ~11805=55...(32) HB3 SER 130 + HG LEU 43 OK 25 99 25 100 4.5-6.5 10509/2.1=92, ~11805=74...(27) HA VAL 133 - HG LEU 43 far 5 93 5 - 5.6-7.8 HA VAL 133 - HG2 ARG 84 far 0 76 0 - 8.1-12.9 HA VAL 133 - HG3 ARG 84 far 0 76 0 - 8.4-12.1 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 13 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 65 93 70 99 3.5-6.0 ~11901=45, 1377/2.1=41...(27) HB2 ARG 23 + HG3 ARG 23 OK 36 36 100 100 2.2-3.0 3.0=100 HG2 ARG 135 - HG3 ARG 84 far 7 71 10 - 4.9-10.7 HB2 LYS 31 - HG3 ARG 23 far 3 57 5 - 3.9-19.2 HB2 LYS 19 - HG3 ARG 23 far 0 45 0 - 5.3-13.9 HB2 LYS 24 - HG3 ARG 23 far 0 51 0 - 5.7-8.3 HG2 ARG 135 - HG2 ARG 84 far 0 71 0 - 5.8-11.9 HB2 LYS 26 - HG3 ARG 23 far 0 45 0 - 5.8-11.9 HB ILE 80 - HG2 ARG 84 far 0 81 0 - 8.1-10.9 HB ILE 80 - HG3 ARG 84 far 0 81 0 - 8.5-11.2 HG2 ARG 135 - HG LEU 43 far 0 89 0 - 8.7-12.5 HG13 ILE 129 - HG LEU 43 far 0 89 0 - 8.7-10.5 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 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 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 - 5.9-18.0 QD2 LEU 96 - HG LEU 43 far 0 99 0 - 9.1-10.4 HG12 ILE 129 - HG LEU 43 far 0 100 0 - 9.1-10.9 QG1 VAL 63 - HG3 ARG 23 far 0 36 0 - 9.7-31.9 QD1 ILE 37 - HG LEU 43 far 0 73 0 - 9.7-10.5 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 3.6-4.6 6522=100, 6524/2.1=100...(10) H LYS 86 + HG3 ARG 84 OK 79 84 100 95 5.0-7.2 7098/4.6=79, 7131/3.9=26...(9) H LYS 86 + HG2 ARG 84 OK 79 84 100 94 4.4-6.8 7098/4.6=79, 7131/3.9=26...(10) H ALA 21 - HG3 ARG 23 poor 10 42 75 32 4.8-9.1 4.7/6165=11, 4.3/398=10...(7) H LYS 19 - HG3 ARG 23 far 9 57 15 - 6.2-12.6 H ALA 28 - HG3 ARG 23 far 7 68 10 - 5.7-15.4 H GLY 17 - HG3 ARG 23 far 3 61 5 - 7.0-15.7 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (8.29, 0.70, 25.73 ppm; 4.77 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.3-3.8 4.5=100 H GLU 40 + QD1 LEU 43 OK 99 99 100 100 3.8-5.4 10927=82, 2.8/9055=76...(26) H ASP 131 + QD1 LEU 43 OK 23 89 30 88 4.9-6.8 1383/2.1=44, 3.6/1376=33...(8) H LEU 49 - QD1 LEU 43 far 0 92 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 1376 from cnoeabs.peaks (3.78, 0.70, 25.73 ppm; 4.52 A): 4 out of 4 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.7-3.9 4.1=100 HA SER 130 + QD1 LEU 43 OK 100 100 100 100 3.2-4.5 11747/2.1=86, ~11805=48...(32) HB3 SER 130 + QD1 LEU 43 OK 59 99 60 100 4.0-5.9 10509/2.1=86, ~11805=66...(28) HA VAL 133 + QD1 LEU 43 OK 37 93 40 100 5.1-5.9 3.2/11677=79...(24) 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 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.2-2.6 3.2=100 HD3 LYS 39 + QD1 LEU 43 OK 93 93 100 99 1.9-4.4 3.0/11901=61...(29) HG2 ARG 135 - QD1 LEU 43 far 0 89 0 - 6.6-9.2 HG13 ILE 129 - QD1 LEU 43 far 0 89 0 - 8.5-9.7 HB ILE 80 - QD1 LEU 43 far 0 97 0 - 9.2-11.0 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 2.0-2.5 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 3 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 69 - QD1 LEU 43 far 0 68 0 - 8.4-11.2 QB ALA 88 - QD1 LEU 43 far 0 87 0 - 8.9-10.2 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 6 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 HG12 ILE 129 - QD1 LEU 43 far 0 100 0 - 8.2-9.5 QD2 LEU 96 - QD1 LEU 43 far 0 99 0 - 8.6-9.8 QD1 ILE 37 - QD1 LEU 43 far 0 73 0 - 9.2-10.4 QG1 VAL 93 - QD1 LEU 43 far 0 100 0 - 9.8-11.0 QD1 LEU 96 - QD1 LEU 43 far 0 89 0 - 9.9-11.1 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 4.2-4.9 6523=100, 6522/2.1=97...(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 2.2-3.9 6510=100, 6508/2.1=76...(24) H ASP 131 + QD2 LEU 43 OK 85 89 100 96 4.2-4.6 3.6/11747=51...(11) H GLU 40 - QD2 LEU 43 far 0 99 0 - 5.2-6.4 H LEU 49 - QD2 LEU 43 far 0 92 0 - 7.7-9.2 H VAL 126 - QD2 LEU 43 far 0 100 0 - 8.6-9.7 H LEU 69 - QD2 LEU 43 far 0 97 0 - 8.8-10.6 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 5 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 43 OK 98 100 100 98 1.8-2.0 11747=38, 3.0/11805=34...(30) * HA LEU 43 + QD2 LEU 43 OK 96 100 100 96 1.9-2.3 1345=49, 1344/2.1=36...(15) HB3 SER 130 + QD2 LEU 43 OK 94 99 100 95 2.3-3.5 1.8/11805=45, 10509=38...(26) HA VAL 133 - QD2 LEU 43 far 0 93 0 - 4.4-5.6 HA ARG 90 - QD2 LEU 43 far 0 95 0 - 9.7-11.4 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 7 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 14 93 15 - 4.3-6.0 HG2 ARG 135 - QD2 LEU 43 far 0 89 0 - 6.2-9.2 HG13 ILE 129 - QD2 LEU 43 far 0 89 0 - 6.4-7.5 HB ILE 80 - QD2 LEU 43 far 0 97 0 - 8.1-11.2 HG LEU 48 - QD2 LEU 43 far 0 93 0 - 9.7-11.0 HG3 ARG 90 - QD2 LEU 43 far 0 100 0 - 9.7-12.6 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 2.2-3.2 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 - 6.1-9.2 QB ALA 88 - QD2 LEU 43 far 0 87 0 - 8.1-9.1 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; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + QD2 LEU 43 OK 100 100 100 100 4.1-4.7 6524=94, 6522/2.1=74...(12) H TYR 72 - QD2 LEU 43 far 0 97 0 - 8.2-10.3 H LYS 86 - QD2 LEU 43 far 0 99 0 - 9.6-12.1 Violated in 15 structures by 0.14 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 2.6-3.0 3.0=100 HB3 GLU 40 - HA GLU 44 far 0 96 0 - 5.9-8.4 HB ILE 129 - HA LEU 96 far 0 60 0 - 7.9-9.2 HB ILE 129 - HA LEU 122 far 0 42 0 - 8.4-10.0 HB3 PRO 117 - HA LEU 122 far 0 50 0 - 9.1-10.4 HB ILE 129 - HA GLU 44 far 0 81 0 - 9.6-11.3 HG2 PRO 117 - HA LEU 122 far 0 28 0 - 9.7-11.1 HB3 PRO 117 - HA LEU 96 far 0 70 0 - 9.8-12.2 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 15 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 126 - HA LEU 122 poor 8 32 25 - 4.4-5.8 HB VAL 126 - HA LEU 96 far 0 47 0 - 5.8-7.1 HB VAL 118 - HA LEU 122 far 0 42 0 - 7.1-8.4 HB2 GLN 127 - HA LEU 122 far 0 42 0 - 7.3-9.5 HB2 GLU 128 - HA LEU 96 far 0 82 0 - 7.4-8.5 HB2 GLU 128 - HA LEU 122 far 0 60 0 - 7.6-8.7 HB2 GLU 102 - HA LEU 122 far 0 59 0 - 7.7-11.0 HB2 GLU 102 - HA LEU 96 far 0 81 0 - 8.0-9.9 HB VAL 118 - HA LEU 96 far 0 60 0 - 8.1-10.0 HB2 LEU 62 - HA LEU 122 far 0 42 0 - 8.6-10.5 HG3 GLN 134 - HA GLU 44 far 0 100 0 - 8.8-12.5 HB2 GLN 127 - HA LEU 96 far 0 60 0 - 8.8-11.1 HB3 LYS 39 - HA GLU 44 far 0 100 0 - 9.2-10.9 HG2 PRO 117 - HA LEU 122 far 0 37 0 - 9.7-11.1 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 2.1-3.5 3.7=100 HG2 GLU 40 - HA GLU 44 far 0 76 0 - 6.5-9.3 HG2 GLU 102 - HA LEU 122 far 0 42 0 - 7.4-12.1 HG2 GLU 102 - HA LEU 96 far 0 60 0 - 7.7-11.2 HG2 GLN 127 - HA LEU 122 far 0 47 0 - 7.7-9.7 HG3 GLN 68 - HA GLU 44 far 0 93 0 - 8.4-10.4 HG2 GLN 127 - HA GLU 44 far 0 89 0 - 9.0-11.0 HB3 GLN 134 - HA GLU 44 far 0 99 0 - 9.1-11.6 HG2 GLN 127 - HA LEU 96 far 0 67 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 1396 from cnoeabs.peaks (2.51, 4.05, 58.87 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.1-3.3 3.7=100 HG3 GLU 102 - HA LEU 122 far 0 51 0 - 6.5-11.3 HG3 GLU 102 - HA LEU 96 far 0 72 0 - 7.4-10.2 HG3 GLN 127 - HA LEU 122 far 0 39 0 - 7.4-9.4 HG3 GLN 127 - HA GLU 44 far 0 76 0 - 9.4-12.1 HG3 GLN 127 - HA LEU 96 far 0 55 0 - 9.6-11.1 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 3.5-3.6 3.6=100 H LYS 95 + HA LEU 96 OK 62 65 100 95 4.9-5.2 9975/3.0=43, 7308/3.6=38...(19) H GLN 101 - HA LEU 96 far 0 78 0 - 6.1-7.4 H GLN 101 - HA LEU 122 far 0 56 0 - 6.7-8.7 H LYS 95 - HA LEU 122 far 0 46 0 - 6.9-8.4 H LEU 53 - HA LEU 122 far 0 32 0 - 8.5-12.3 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 3.3-3.9 6563=100, 6571/1400=67...(9) H LEU 100 + HA LEU 96 OK 37 41 100 90 3.7-5.1 4.9/11488=42...(20) H LEU 100 - HA LEU 122 poor 19 28 75 91 4.3-6.1 4.5/3214=28, 4.5/3208=27...(26) H VAL 93 - HA LEU 96 far 0 55 0 - 6.8-7.4 H LEU 70 - HA LEU 96 far 0 79 0 - 7.7-9.5 H LEU 70 - HA LEU 122 far 0 57 0 - 8.5-10.8 H VAL 93 - HA LEU 122 far 0 39 0 - 8.5-10.0 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 3.1-4.8 1471=100, 1.8/1400=88...(6) HB2 CYS 125 + HA LEU 96 OK 61 61 100 100 2.4-3.6 11655/3.0=42...(27) HB2 CYS 125 + HA LEU 122 OK 42 43 100 99 2.2-4.2 1.8/3994=46, ~11656=41...(18) 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 2.6-3.5 1477=97, 1.8/1471=73...(6) Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (3.91, 2.02, 28.31 ppm; 4.05 A): 3 out of 8 assignments used, quality = 1.00: * HA ALA 41 + HB2 GLU 44 OK 100 100 100 100 2.3-4.5 1409/1.8=84...(17) HA ALA 41 + HB3 GLU 40 OK 78 87 90 100 3.9-5.6 2.9/6471=60, 1280=46...(25) HA LYS 86 + HG2 ARG 90 OK 58 71 100 81 3.7-4.9 9818/9662=33...(13) HB2 SER 94 - HG2 ARG 90 far 0 94 0 - 6.1-7.9 HA ALA 46 - HB2 GLU 44 far 0 93 0 - 7.5-8.0 HA3 GLY 75 - HG2 ARG 90 far 0 94 0 - 8.0-10.6 HA LEU 70 - HG2 ARG 90 far 0 56 0 - 8.2-11.2 HB3 SER 50 - HB2 GLU 44 far 0 81 0 - 9.6-11.5 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 4 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.1-3.6 6526=100, 6527/1.8=82...(17) H GLU 44 - HB3 GLU 40 far 0 87 0 - 4.6-6.3 H LYS 86 - HG2 ARG 90 far 0 94 0 - 6.1-7.4 H TYR 72 - HB2 GLU 44 far 0 97 0 - 9.5-12.2 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 8 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 44 - HB3 GLU 40 far 0 87 0 - 5.9-8.4 HA ILE 37 - HB3 GLU 40 far 0 48 0 - 6.7-9.6 HB2 SER 74 - HG2 ARG 90 far 0 77 0 - 6.9-10.1 HA ILE 37 - HB2 GLU 44 far 0 63 0 - 7.7-10.1 HB3 SER 74 - HG2 ARG 90 far 0 75 0 - 8.0-10.7 HA ALA 92 - HG2 ARG 90 far 0 96 0 - 8.6-9.3 HD3 PRO 81 - HG2 ARG 90 far 0 90 0 - 9.5-11.9 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 7 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 44 - HB3 GLU 40 far 0 87 0 - 4.8-7.4 HB3 LYS 39 - HB3 GLU 40 far 0 87 0 - 4.8-7.2 HG3 GLN 134 - HB3 GLU 40 far 0 86 0 - 8.2-12.9 HB3 LYS 39 - HB2 GLU 44 far 0 100 0 - 8.3-11.2 HB2 GLU 128 - HG2 ARG 90 far 0 95 0 - 9.6-13.3 HG3 PRO 81 - HB3 GLU 40 far 0 53 0 - 9.8-17.7 Violated in 0 structures by 0.00 A. Peak 1406 from cnoeabs.peaks (2.34, 2.02, 28.31 ppm; 3.80 A): 4 out of 7 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-2.9 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...(30) HG2 GLU 40 + HB3 GLU 40 OK 59 59 100 100 2.3-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 40 OK 49 87 85 67 3.4-7.4 1419=29, 10949/10857=18...(7) HG2 GLU 40 - HB2 GLU 44 far 0 76 0 - 4.9-8.7 HG3 GLN 68 - HB2 GLU 44 far 0 93 0 - 7.2-9.3 HB3 GLN 134 - HB3 GLU 40 far 0 83 0 - 8.9-12.5 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 3 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 44 - HB3 GLU 40 far 9 87 10 - 2.9-6.7 HB2 ASP 78 - HG2 ARG 90 far 0 96 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (7.69, 2.02, 28.31 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 45 + HB2 GLU 44 OK 100 100 100 100 2.6-3.5 6539=100, 6540/1.8=82...(18) H CYS 45 - HB3 GLU 40 far 0 87 0 - 6.9-8.3 H LYS 95 - HG2 ARG 90 far 0 79 0 - 8.2-9.5 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 8 assignments used, quality = 1.00: * HA ALA 41 + HB3 GLU 44 OK 100 100 100 100 2.0-4.7 1281=99, 6515/6527=55...(20) HA ALA 46 - HB3 GLU 44 far 0 93 0 - 7.5-8.0 HB2 SER 107 - HB2 GLU 102 far 0 72 0 - 7.5-12.2 HA ALA 46 - HB2 GLU 128 far 0 90 0 - 9.0-10.5 HB3 SER 50 - HB3 GLU 44 far 0 81 0 - 9.4-12.1 HA2 GLY 111 - HB2 GLU 102 far 0 56 0 - 9.4-18.0 HA LEU 70 - HB2 GLU 128 far 0 59 0 - 9.9-12.4 HB3 SER 50 - HB2 GLU 128 far 0 77 0 - 9.9-12.1 Violated in 3 structures by 0.07 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 2.1-3.6 6527=100, 6526/1.8=82...(18) H TYR 72 - HB3 GLU 44 far 0 97 0 - 9.7-12.1 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 2.5-3.0 3.0=100 HA GLU 102 + HB2 GLU 102 OK 81 81 100 100 2.4-3.0 3.0=100 HA ALA 92 - HB2 GLU 128 far 10 98 10 - 4.3-6.2 HB3 SER 124 - HB2 GLU 128 far 0 81 0 - 6.5-8.7 HA LEU 96 - HB2 GLU 128 far 0 96 0 - 7.4-8.5 HA LEU 122 - HB2 GLU 128 far 0 98 0 - 7.6-8.7 HA LEU 122 - HB2 GLU 102 far 0 81 0 - 7.7-11.0 HA ILE 37 - HB3 GLU 44 far 0 63 0 - 7.8-10.3 HA LEU 119 - HB2 GLU 102 far 0 54 0 - 7.9-11.3 HA LEU 96 - HB2 GLU 102 far 0 78 0 - 8.0-9.9 HA LYS 95 - HB2 GLU 102 far 0 42 0 - 8.1-11.0 HA LYS 95 - HB2 GLU 128 far 0 56 0 - 9.1-10.7 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 HB ILE 129 - HB2 GLU 128 far 0 77 0 - 4.7-6.4 HB3 GLU 40 - HB3 GLU 44 far 0 96 0 - 4.8-7.4 HG2 PRO 117 - HB2 GLU 102 far 0 40 0 - 6.2-9.5 HB2 GLU 91 - HB2 GLU 128 far 0 56 0 - 6.8-10.3 HB3 GLU 91 - HB2 GLU 128 far 0 95 0 - 7.3-10.2 HB3 PRO 117 - HB2 GLU 102 far 0 69 0 - 7.5-10.5 HG3 PRO 117 - HB2 GLU 102 far 0 46 0 - 7.8-11.2 HG3 ARG 135 - HB2 GLU 128 far 0 95 0 - 8.4-12.2 QE MET 11 - HB2 GLU 102 far 0 66 0 - 9.2-48.7 HG2 ARG 90 - HB2 GLU 128 far 0 98 0 - 9.6-13.3 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 8 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 58 58 100 100 2.2-3.0 3.0=100 HG2 GLU 40 - HB3 GLU 44 far 0 76 0 - 4.6-8.8 HG2 GLN 127 - HB2 GLU 128 far 0 85 0 - 6.7-8.0 HG3 GLN 68 - HB3 GLU 44 far 0 93 0 - 7.3-9.6 HB2 PRO 117 - HB2 GLU 102 far 0 52 0 - 8.9-12.1 HB3 GLN 134 - HB2 GLU 128 far 0 96 0 - 9.7-13.1 HB VAL 77 - HB2 GLU 128 far 0 98 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1415 from cnoeabs.peaks (2.51, 2.08, 28.31 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLU 102 + HB2 GLU 102 OK 70 70 100 100 2.2-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 0 72 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 1416 from cnoeabs.peaks (7.69, 2.08, 28.31 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * H CYS 45 + HB3 GLU 44 OK 100 100 100 100 2.5-3.7 6540=98, 6539/1.8=78...(18) H GLN 101 + HB2 GLU 102 OK 53 76 70 99 4.4-5.7 3.1/7455=71...(14) H LYS 95 - HB2 GLU 128 far 0 83 0 - 7.4-9.2 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 1 assignment used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.5-3.6 6528=100, 1424/1.8=82...(18) Violated in 0 structures by 0.00 A. Peak 1418 from cnoeabs.peaks (4.05, 2.34, 34.64 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.1-3.5 3.7=87, 1425/1.8=69...(13) HA ILE 37 - HG2 GLU 44 far 0 63 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (2.02, 2.34, 34.64 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLU 40 + HG2 GLU 44 OK 21 96 45 50 3.4-7.4 10857/10949=14, 1406=13...(7) 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 2.2-3.0 3.0=100 HB3 LYS 39 - HG2 GLU 44 far 0 100 0 - 7.4-10.2 HG3 GLN 134 - HG2 GLU 44 far 0 100 0 - 8.9-13.4 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 4.6-5.1 6539/3.0=85, 3.6/1418=85...(15) 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 1 assignment used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 3.0-3.5 6529=99, 6528/1.8=68...(18) 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 2.1-3.3 3.7=100 HA GLU 102 + HG3 GLU 102 OK 80 80 100 100 2.1-3.9 3.7=100 HA LEU 122 - HG3 GLU 102 far 0 80 0 - 6.5-11.3 HA LEU 96 - HG3 GLU 102 far 0 78 0 - 7.4-10.2 HA LEU 119 - HG3 GLU 102 far 0 54 0 - 7.9-12.5 HA LYS 95 - HG3 GLU 102 far 0 41 0 - 8.0-10.6 HA ILE 37 - HG3 GLU 44 far 0 63 0 - 8.7-11.3 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 5 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 40 - HG3 GLU 44 far 5 96 5 - 2.9-6.7 HG2 PRO 117 - HG3 GLU 102 far 0 39 0 - 6.6-10.4 HB3 PRO 117 - HG3 GLU 102 far 0 69 0 - 8.2-11.6 HG3 PRO 117 - HG3 GLU 102 far 0 46 0 - 8.3-12.1 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 2.2-3.0 3.0=100 HB VAL 118 - HG3 GLU 102 far 3 58 5 - 4.3-8.8 HG2 PRO 117 - HG3 GLU 102 far 0 52 0 - 6.6-10.4 HG3 PRO 117 - HG3 GLU 102 far 0 46 0 - 8.3-12.1 HB3 LYS 39 - HG3 GLU 44 far 0 100 0 - 8.6-10.6 HG3 GLN 134 - HG3 GLU 44 far 0 100 0 - 8.8-13.2 HB2 LEU 62 - HG3 GLU 102 far 0 58 0 - 9.0-13.8 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 4 76 5 - 3.3-8.1 HB2 PRO 117 - HG3 GLU 102 far 0 52 0 - 9.3-13.1 HG3 GLN 68 - HG3 GLU 44 far 0 93 0 - 9.4-11.8 HB3 GLN 134 - HG3 GLU 44 far 0 99 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (2.51, 2.51, 34.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 HG3 GLU 102 + HG3 GLU 102 OK 70 70 - 100 Peak 1430 from cnoeabs.peaks (7.69, 2.51, 34.64 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H CYS 45 + HG3 GLU 44 OK 100 100 100 100 4.7-5.0 3.4/1424=75, 6539/3.0=75...(14) H GLN 101 + HG3 GLU 102 OK 75 76 100 99 3.9-5.4 3.1/7458=71, ~3348=49...(10) 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 2.8-2.9 2.8=100 H LEU 53 - HA CYS 45 far 0 65 0 - 9.9-11.4 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 7 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 36 - HA CYS 45 far 0 85 0 - 7.2-12.3 HE2 LYS 36 - HA CYS 45 far 0 92 0 - 7.8-12.5 HE3 LYS 26 - HA CYS 45 far 0 71 0 - 8.0-35.7 HG CYS 73 - HA CYS 45 far 0 99 0 - 8.3-13.8 HE2 LYS 26 - HA CYS 45 far 0 71 0 - 8.4-35.0 HE2 LYS 39 - HA CYS 45 far 0 97 0 - 9.9-14.3 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 2.4-2.6 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 3.5-3.6 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 3.3-3.9 6585/1438=74...(14) H ALA 52 - HA CYS 45 far 0 89 0 - 8.6-9.2 H SER 130 - HA CYS 45 far 0 97 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (1.78, 4.12, 62.50 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + HA CYS 45 OK 100 100 100 100 2.5-4.3 1.8/1438=88...(13) Violated in 0 structures by 0.00 A. Peak 1438 from cnoeabs.peaks (1.89, 4.12, 62.50 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.90: * HB3 LEU 48 + HA CYS 45 OK 90 100 90 100 2.4-5.6 1.8/1437=82...(16) HB3 LEU 49 - HA CYS 45 far 8 78 10 - 4.5-8.4 HB3 LYS 36 - HA CYS 45 far 0 97 0 - 8.3-14.8 HB2 GLU 40 - HA CYS 45 far 0 100 0 - 9.1-11.2 Violated in 2 structures by 0.10 A. Peak 1439 from cnoeabs.peaks (3.48, 2.94, 26.22 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB2 CYS 45 OK 100 100 100 100 2.7-4.1 1295=100, 1445/1.8=91...(10) HA ILE 129 - HB2 CYS 45 far 0 93 0 - 9.9-11.6 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 3.0-3.0 3.0=100 HA LEU 49 - HB2 CYS 45 far 0 92 0 - 7.7-9.4 HA LEU 48 - HB2 CYS 45 far 0 95 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 1442 from cnoeabs.peaks (2.94, 2.94, 26.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 45 + HB2 CYS 45 OK 100 100 - 100 Peak 1443 from cnoeabs.peaks (3.13, 2.94, 26.22 ppm; 3.80 A): 1 out of 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 - 8.0-9.6 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 2.5-3.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (3.48, 3.13, 26.22 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB3 CYS 45 OK 100 100 100 100 3.7-5.5 1295/1.8=99, 1296=79...(7) Violated in 0 structures by 0.00 A. Peak 1446 from cnoeabs.peaks (7.69, 3.13, 26.22 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.4-3.6 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 2.4-2.6 3.0=100 HA LEU 49 - HB3 CYS 45 far 0 92 0 - 6.5-8.8 HA LEU 48 - HB3 CYS 45 far 0 95 0 - 7.0-8.2 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 6 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 - 6.0-11.2 HE3 LYS 36 - HB3 CYS 45 far 0 85 0 - 6.3-11.7 HE2 LYS 36 - HB3 CYS 45 far 0 92 0 - 6.7-11.4 HE3 LYS 26 - HB3 CYS 45 far 0 71 0 - 8.1-34.5 HE2 LYS 26 - HB3 CYS 45 far 0 71 0 - 8.9-33.7 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 3.3-3.9 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 3.4-3.5 3.6=100 H LEU 70 - HA ALA 46 far 10 99 10 - 6.5-8.1 H VAL 132 - HA ALA 46 far 0 92 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (8.30, 3.90, 55.49 ppm; 5.08 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 49 + HA ALA 46 OK 100 100 100 100 3.5-4.3 6573/3.6=67...(20) H LEU 69 + HA ALA 46 OK 52 100 55 94 5.4-6.8 4.9/11054=63...(8) H VAL 126 - HA ALA 46 far 0 96 0 - 6.5-7.3 H LEU 43 - HA ALA 46 far 0 92 0 - 7.0-7.6 H TYR 72 - HA ALA 46 far 0 85 0 - 8.5-9.4 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 3.3-5.8 1.8/10899=98...(16) HB3 LEU 48 + HA ALA 46 OK 69 78 90 98 4.9-7.6 4.6/1455=65, 1438/4.8=54...(12) HG LEU 53 - HA ALA 46 far 0 83 0 - 7.2-11.1 HB3 LEU 123 - HA ALA 46 far 0 53 0 - 7.8-10.2 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 98 100 100 98 1.9-2.5 1348=56, 1345/9176=43...(13) HB3 SER 130 + QB ALA 46 OK 91 99 100 92 1.9-3.9 10508=45, 1.8/11718=43...(13) HA SER 130 + QB ALA 46 OK 85 100 90 95 3.4-4.3 11747/9176=38...(14) HA VAL 133 - QB ALA 46 far 0 93 0 - 7.9-9.1 HA GLU 97 - QB ALA 46 far 0 85 0 - 9.4-10.4 HA ARG 90 - QB ALA 46 far 0 95 0 - 9.4-10.4 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 1 assignment used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 100 100 2.0-2.2 3.1=100 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 4 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 - 4.5-7.0 HA LEU 70 - QB ALA 46 far 0 93 0 - 6.6-8.3 HA ALA 41 - QB ALA 46 far 0 93 0 - 6.8-7.9 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 2.6-3.0 6568=100, 6571/10954=31...(20) H LEU 70 - QB ALA 46 far 0 99 0 - 6.3-7.6 H VAL 132 - QB ALA 46 far 0 92 0 - 6.3-7.1 H VAL 93 - QB ALA 46 far 0 76 0 - 8.1-8.9 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 6 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-2.9 2.9=100 H ASN 116 - HA ASN 59 far 0 48 0 - 6.6-10.1 H VAL 132 - HA GLN 134 far 0 79 0 - 6.6-7.4 H ALA 34 - HA LYS 24 far 0 51 0 - 7.3-27.0 H LEU 70 - HA LYS 24 far 0 81 0 - 9.8-34.8 H VAL 132 - HA ASP 47 far 0 92 0 - 10.0-11.7 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 2 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 85 - HA GLN 134 far 0 66 0 - 6.4-9.9 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 6 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 50 0 - 5.3-9.2 HB3 ASP 71 - HA LYS 24 far 0 48 0 - 5.8-30.0 HB3 ASN 85 - HA GLN 134 far 0 72 0 - 6.8-8.9 HB3 ASP 131 - HA GLN 134 far 0 63 0 - 7.5-8.2 HB3 ASP 131 - HA ASP 47 far 0 76 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (8.04, 4.34, 56.63 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 48 + HA ASP 47 OK 100 100 100 100 3.5-3.6 3.6=94, 6579/2.9=53...(12) H SER 130 - HA ASP 47 far 0 97 0 - 6.4-7.9 H ALA 52 - HA ASP 47 far 0 89 0 - 6.4-7.5 H SER 130 - HA GLN 134 far 0 86 0 - 8.2-9.5 H VAL 20 - HA LYS 24 far 0 67 0 - 9.1-11.6 H CYS 125 - HA ASP 47 far 0 100 0 - 10.0-11.9 Violated in 17 structures by 0.03 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 3.2-3.7 3.9/1469=65...(12) 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 - 7.1-10.1 H HIS 67 - HA ASN 59 far 0 52 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 1469 from cnoeabs.peaks (3.84, 4.34, 56.63 ppm; 4.67 A): 1 out of 12 assignments used, quality = 1.00: * HB2 SER 50 + HA ASP 47 OK 100 100 100 100 2.5-4.7 1596=100, 1.8/1602=76...(7) HB2 SER 130 - HA ASP 47 poor 17 90 25 73 5.0-6.5 11718/10901=30, 1596=22...(8) HA LEU 62 - HA ASN 59 far 5 50 10 - 5.4-6.0 HB2 SER 130 - HA GLN 134 far 0 78 0 - 6.2-9.0 HD3 PRO 58 - HA ASN 59 far 0 40 0 - 6.2-7.0 HD2 PRO 81 - HA GLN 134 far 0 81 0 - 6.3-9.9 HA GLU 40 - HA GLN 134 far 0 90 0 - 6.4-10.0 HA LEU 123 - HA ASP 47 far 0 97 0 - 6.5-9.2 HD3 PRO 58 - HA LYS 24 far 0 67 0 - 8.6-44.8 HB3 SER 33 - HA LYS 24 far 0 74 0 - 9.0-26.1 HA VAL 118 - HA ASN 59 far 0 35 0 - 9.1-10.7 HA GLU 40 - HA ASP 47 far 0 100 0 - 9.3-11.4 Violated in 2 structures by 0.01 A. Peak 1470 from cnoeabs.peaks (3.89, 4.34, 56.63 ppm; 5.94 A): 4 out of 10 assignments used, quality = 1.00: * HB3 SER 50 + HA ASP 47 OK 100 100 100 100 2.1-4.1 1602=100, 1.8/1596=100...(7) HA ALA 46 + HA ASP 47 OK 99 99 100 100 4.7-4.8 ~6568=80, ~1462=79...(13) HB3 SER 60 + HA ASN 59 OK 20 38 100 54 5.6-6.6 4.6/6749=47, 1912/6780=6 HB2 SER 60 + HA ASN 59 OK 20 38 100 54 5.7-6.6 4.6/6749=47, 1912/6780=6 HA2 GLY 114 - HA ASN 59 far 0 51 0 - 6.9-13.7 HB3 SER 60 - HA LYS 24 far 0 63 0 - 7.8-40.4 HB2 SER 33 - HA LYS 24 far 0 57 0 - 7.8-24.4 HB2 SER 60 - HA LYS 24 far 0 63 0 - 9.1-41.2 HA3 GLY 75 - HA LYS 24 far 0 72 0 - 9.6-30.3 HA ALA 41 - HA LYS 24 far 0 61 0 - 9.8-29.2 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (4.05, 2.72, 39.77 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.97: * HA GLU 44 + HB2 ASP 47 OK 97 100 100 97 3.1-4.8 1400/1.8=77...(6) HB THR 65 - HB2 ASP 47 far 0 89 0 - 9.7-11.0 Violated in 16 structures by 0.23 A. Peak 1472 from cnoeabs.peaks (8.46, 2.72, 39.77 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.3-3.5 6570=100, 6571/1.8=80...(5) H VAL 132 - HB2 ASP 47 far 0 92 0 - 10.0-13.6 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 2.5-3.0 3.0=100 HA LEU 69 - HB2 ASP 47 far 0 96 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 1474 from cnoeabs.peaks (2.72, 2.72, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 Peak 1475 from cnoeabs.peaks (2.84, 2.72, 39.77 ppm; 2.73 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 131 - HB2 ASP 47 far 0 76 0 - 9.5-14.0 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 2.3-3.9 6581=100, 6582/1.8=83...(8) H SER 130 - HB2 ASP 47 far 0 97 0 - 6.8-9.9 H ALA 52 - HB2 ASP 47 far 0 89 0 - 7.0-9.1 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 2.6-3.5 1400=100, 1471/1.8=75...(6) HB THR 65 - HB3 ASP 47 far 0 89 0 - 9.6-10.9 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 2.1-2.8 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 2.6-3.0 3.0=100 HA LEU 69 - HB3 ASP 47 far 0 96 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (2.72, 2.84, 39.77 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (2.84, 2.84, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 Peak 1482 from cnoeabs.peaks (8.04, 2.84, 39.77 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HB3 ASP 47 OK 100 100 100 100 2.7-3.5 6582=100, 6581/1.8=85...(8) H SER 130 - HB3 ASP 47 far 0 97 0 - 7.4-9.0 H ALA 52 - HB3 ASP 47 far 0 89 0 - 7.7-9.3 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 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 83 89 100 94 4.2-5.0 4.6/1621=42, 4.6/1615=41...(14) H ALA 52 + HA LEU 49 OK 52 53 100 99 2.9-3.6 2.9/1631=41, 6644=32...(28) H LEU 48 - HA LEU 49 far 0 66 0 - 5.1-5.6 H CYS 125 - HA LEU 49 far 0 66 0 - 9.5-11.5 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 11 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 98 + HA LEU 98 OK 98 98 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 40 48 85 98 3.7-5.0 7488/3.0=55, ~3378=23...(19) HB2 LEU 48 + HA LEU 49 OK 29 66 45 97 3.7-5.5 6598/2.9=51, 3.1/1521=23...(28) HB3 LEU 122 - HA LEU 49 far 0 58 0 - 5.5-10.5 HG LEU 100 - HA LEU 98 far 0 98 0 - 6.7-8.4 HB3 LEU 122 - HA LEU 98 far 0 91 0 - 7.1-10.8 HG LEU 100 - HA GLN 104 far 0 54 0 - 7.3-9.4 HB3 LEU 103 - HA LEU 98 far 0 92 0 - 7.6-11.0 HG LEU 100 - HA LEU 49 far 0 66 0 - 8.2-10.6 HB3 LEU 122 - HA GLN 104 far 0 47 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1486 from cnoeabs.peaks (1.89, 4.11, 57.99 ppm; 3.70 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 49 + HA LEU 49 OK 45 45 100 100 2.3-2.7 3.0=100 HB3 LEU 48 + HA LEU 49 OK 29 66 45 97 3.7-5.4 ~6598=32, 6599/2.9=27...(29) HB3 LEU 123 - HA LEU 49 far 0 49 0 - 5.1-7.9 HB3 LEU 49 - HA LEU 48 far 0 78 0 - 5.9-6.6 HB3 LEU 119 - HA LEU 49 far 0 45 0 - 7.9-11.2 HB2 MET 11 - HA GLN 104 far 0 26 0 - 8.0-50.4 HB3 LEU 123 - HA LEU 48 far 0 85 0 - 8.7-11.4 HB2 MET 11 - HA LEU 98 far 0 56 0 - 9.0-55.3 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 7 assignments used, quality = 1.00: * HG LEU 48 + HA LEU 48 OK 100 100 100 100 2.2-4.2 3.7=100 HG LEU 98 + HA LEU 98 OK 98 98 100 100 2.6-3.7 3.7=100 HG LEU 48 - HA LEU 49 far 0 66 0 - 5.1-6.3 HB3 LEU 70 - HA LEU 98 far 0 98 0 - 7.6-9.8 HB2 LEU 70 - HA LEU 98 far 0 98 0 - 8.3-10.4 HB2 LEU 43 - HA LEU 48 far 0 93 0 - 9.5-10.5 HB3 LEU 70 - HA GLN 104 far 0 54 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (0.91, 4.11, 57.99 ppm; 3.51 A): 5 out of 21 assignments used, quality = 1.00: * QD2 LEU 48 + HA LEU 48 OK 100 100 100 100 1.9-3.2 3.8=78, 10961/1615=32...(25) QD1 LEU 48 + HA LEU 48 OK 91 92 100 99 3.4-3.8 4.0=65, ~6586=28...(22) QD2 LEU 48 + HA LEU 49 OK 65 66 100 98 2.3-4.0 1521=36, 1527/2.9=35...(31) QD1 LEU 49 + HA LEU 49 OK 65 66 100 99 2.0-4.0 4.1=64, 2.1/1573=59...(20) QG2 VAL 63 + HA GLN 104 OK 54 54 100 99 1.9-3.7 11523/3.9=41...(21) QD2 LEU 123 - HA LEU 49 poor 12 41 30 - 3.3-7.7 QD1 LEU 48 - HA LEU 49 far 8 56 15 - 2.3-5.8 QD1 LEU 49 - HA LEU 48 far 0 100 0 - 4.5-6.2 QD1 LEU 62 - HA LEU 49 far 0 65 0 - 4.7-7.7 QD1 LEU 123 - HA LEU 49 far 0 50 0 - 5.5-8.1 QD1 LEU 62 - HA GLN 104 far 0 53 0 - 5.8-8.2 QG1 VAL 118 - HA GLN 104 far 0 51 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 73 0 - 6.1-9.5 QG1 VAL 118 - HA LEU 98 far 0 95 0 - 6.4-7.0 QD1 LEU 123 - HA LEU 48 far 0 85 0 - 7.2-9.6 QG1 VAL 118 - HA LEU 49 far 0 62 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 66 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 98 0 - 8.5-10.4 QG2 VAL 112 - HA GLN 104 far 0 45 0 - 8.5-11.6 QD1 LEU 62 - HA LEU 48 far 0 100 0 - 8.5-11.2 QD1 LEU 49 - HA GLN 104 far 0 54 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (0.92, 4.11, 57.99 ppm; 3.42 A): 5 out of 23 assignments used, quality = 1.00: * QD1 LEU 48 + HA LEU 48 OK 99 100 100 99 3.4-3.8 4.0=61, 1528/2.9=30...(21) QD2 LEU 48 + HA LEU 48 OK 91 92 100 99 1.9-3.2 3.8=72, 2.1/1529=27...(25) QD1 LEU 49 + HA LEU 49 OK 59 60 100 98 2.0-4.0 4.1=59, 2.1/1573=56...(20) QD2 LEU 48 + HA LEU 49 OK 54 56 100 97 2.3-4.0 1521=31, 1527/2.9=29...(31) QG2 VAL 63 + HA GLN 104 OK 47 47 100 99 1.9-3.7 11521/3.9=38...(21) QD1 LEU 48 - HA LEU 49 far 10 66 15 - 2.3-5.8 QD1 LEU 49 - HA LEU 48 far 0 97 0 - 4.5-6.2 QD1 LEU 62 - HA LEU 49 far 0 61 0 - 4.7-7.7 QD1 LEU 123 - HA LEU 49 far 0 66 0 - 5.5-8.1 QD1 LEU 62 - HA GLN 104 far 0 50 0 - 5.8-8.2 QG1 VAL 118 - HA GLN 104 far 0 33 0 - 6.0-7.3 QG1 VAL 57 - HA LEU 49 far 0 40 0 - 6.2-7.4 QG1 VAL 118 - HA LEU 98 far 0 69 0 - 6.4-7.0 QD1 LEU 123 - HA LEU 48 far 0 100 0 - 7.2-9.6 QD1 LEU 119 - HA LEU 49 far 0 51 0 - 7.4-10.6 QG1 VAL 57 - HA LEU 48 far 0 71 0 - 7.6-9.0 QD1 LEU 119 - HA GLN 104 far 0 41 0 - 7.7-10.4 QG1 VAL 118 - HA LEU 49 far 0 41 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 58 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 91 0 - 8.5-10.4 QG2 VAL 112 - HA GLN 104 far 0 54 0 - 8.5-11.6 QD1 LEU 62 - HA LEU 48 far 0 97 0 - 8.5-11.2 QD1 LEU 49 - HA GLN 104 far 0 49 0 - 9.5-13.2 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 3.4-3.6 3.6=100 H SER 99 + HA LEU 98 OK 93 93 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 66 66 100 100 2.7-2.9 2.9=100 H LEU 96 - HA LEU 98 far 0 59 0 - 6.7-7.3 H GLY 111 - HA GLN 104 far 0 54 0 - 7.4-11.3 H LEU 69 - HA LEU 49 far 0 66 0 - 7.4-9.4 H ALA 110 - HA GLN 104 far 0 54 0 - 7.7-11.3 H VAL 126 - HA LEU 49 far 0 59 0 - 7.9-10.0 H LEU 69 - HA LEU 48 far 0 100 0 - 9.5-11.8 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 3.3-3.8 1616/1615=64...(17) H SER 51 + HA LEU 49 OK 65 66 100 98 3.7-4.5 6610/2.9=67, ~6619=34...(16) H ASP 64 - HA GLN 104 far 0 32 0 - 6.0-8.7 H ASP 64 - HA LEU 49 far 0 40 0 - 8.2-9.3 H SER 94 - HA LEU 98 far 0 96 0 - 8.4-9.4 H VAL 57 - HA LEU 49 far 0 43 0 - 9.0-10.8 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 16 assignments used, quality = 0.94: * HB2 SER 51 + HA LEU 48 OK 94 100 95 99 2.9-5.1 1615=92, 1.8/1621=77...(6) HB2 SER 107 - HA GLN 104 poor 17 39 45 - 2.7-6.5 HB3 SER 107 - HA GLN 104 poor 11 41 90 29 2.4-5.4 11853/1581=11...(5) HB2 SER 51 - HA LEU 49 far 7 66 10 - 4.8-6.3 HB2 SER 106 - HA GLN 104 far 0 33 0 - 5.2-8.2 HA LEU 100 - HA GLN 104 far 0 40 0 - 5.3-7.6 HA THR 65 - HA LEU 49 far 0 34 0 - 5.3-7.1 HA LEU 100 - HA LEU 98 far 0 81 0 - 6.5-7.3 HB3 SER 94 - HA LEU 98 far 0 54 0 - 7.0-9.1 HA THR 65 - HA LEU 48 far 0 63 0 - 7.3-9.1 HA2 GLY 111 - HA GLN 104 far 0 49 0 - 7.4-13.6 HA GLN 127 - HA LEU 49 far 0 36 0 - 7.8-9.9 HA3 GLY 111 - HA GLN 104 far 0 54 0 - 8.3-13.5 HB2 SER 106 - HA LEU 98 far 0 69 0 - 8.4-13.1 HA GLN 127 - HA LEU 48 far 0 65 0 - 8.8-10.4 HA LEU 100 - HA LEU 49 far 0 50 0 - 10.0-12.3 Violated in 7 structures by 0.18 A. Peak 1493 from cnoeabs.peaks (3.98, 4.11, 57.99 ppm; 3.72 A): 1 out of 21 assignments used, quality = 0.97: * HB3 SER 51 + HA LEU 48 OK 97 100 100 97 2.9-4.3 1621=86, 1.8/1615=64...(8) HB3 SER 107 - HA GLN 104 poor 8 37 85 25 2.4-5.4 11853/1581=9, 7481/3.0=7...(5) HA SER 60 - HA GLN 104 poor 6 28 20 - 3.8-6.0 HA SER 50 - HA LEU 49 far 0 56 0 - 4.8-4.9 HB3 SER 106 - HA GLN 104 far 0 54 0 - 5.1-8.6 HB2 SER 106 - HA GLN 104 far 0 45 0 - 5.2-8.2 HA LEU 100 - HA GLN 104 far 0 39 0 - 5.3-7.6 HB3 SER 51 - HA LEU 49 far 0 66 0 - 5.3-6.5 HA THR 65 - HA LEU 49 far 0 60 0 - 5.3-7.1 HB3 SER 99 - HA LEU 98 far 0 69 0 - 5.6-6.7 HA SER 50 - HA LEU 48 far 0 92 0 - 6.4-6.7 HA LEU 100 - HA LEU 98 far 0 79 0 - 6.5-7.3 HB3 SER 94 - HA LEU 98 far 0 95 0 - 7.0-9.1 HA THR 65 - HA LEU 48 far 0 97 0 - 7.3-9.1 HB3 SER 106 - HA LEU 98 far 0 98 0 - 7.4-12.8 HA GLN 127 - HA LEU 49 far 0 59 0 - 7.8-9.9 HB2 SER 106 - HA LEU 98 far 0 88 0 - 8.4-13.1 HB3 SER 99 - HA GLN 104 far 0 33 0 - 8.7-11.3 HA GLN 127 - HA LEU 48 far 0 96 0 - 8.8-10.4 HA GLN 68 - HA LEU 49 far 0 59 0 - 9.9-12.2 HA LEU 100 - HA LEU 49 far 0 48 0 - 10.0-12.3 Violated in 9 structures by 0.09 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 100 100 100 100 2.5-4.3 1437=84, 1438/1.8=72...(12) HA LEU 48 + HB2 LEU 48 OK 95 95 100 100 2.4-3.0 3.0=100 HA LEU 98 + HB3 LEU 98 OK 85 85 100 100 2.4-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 41 92 45 99 3.7-5.5 2.9/6598=60, ~6600=26...(29) HA GLN 101 - HB3 LEU 103 far 0 53 0 - 5.1-7.6 HA LEU 49 - HB3 LEU 122 far 0 51 0 - 5.5-10.5 HA ALA 52 - HB2 LEU 48 far 0 97 0 - 6.6-9.1 HA LEU 98 - HB3 LEU 122 far 0 49 0 - 7.1-10.8 HA LEU 98 - HB3 LEU 103 far 0 58 0 - 7.6-11.0 HA GLN 101 - HB3 LEU 122 far 0 45 0 - 7.6-11.4 HA GLN 101 - HB3 LEU 98 far 0 79 0 - 7.7-8.7 HA ALA 52 - HB3 LEU 122 far 0 56 0 - 8.7-13.9 HA3 GLY 114 - HB3 LEU 103 far 0 70 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 1495 from cnoeabs.peaks (8.04, 1.78, 41.65 ppm; 4.07 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.1-3.2 3.9=100 H ALA 52 - HB2 LEU 48 far 4 89 5 - 5.0-6.7 H CYS 125 - HB3 LEU 122 far 0 61 0 - 5.4-5.8 H ALA 52 - HB3 LEU 122 far 0 48 0 - 7.4-12.6 H CYS 125 - HB3 LEU 98 far 0 97 0 - 8.3-11.2 H LEU 48 - HB3 LEU 122 far 0 61 0 - 9.7-14.2 H SER 130 - HB2 LEU 48 far 0 97 0 - 9.9-12.0 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 15 assignments used, quality = 1.00: * HA LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 98 + HB3 LEU 98 OK 97 97 100 100 2.4-3.0 3.0=100 HA CYS 45 + HB2 LEU 48 OK 94 95 100 100 2.5-4.3 1437=80, 1438/1.8=67...(12) HA GLN 104 + HB3 LEU 103 OK 51 51 100 99 3.7-5.0 3.0/7488=63, 11431=33...(24) HA LEU 49 + HB2 LEU 48 OK 45 100 45 99 3.7-5.5 2.9/6598=61...(29) HA GLN 101 - HB3 LEU 103 far 0 69 0 - 5.1-7.6 HA LEU 49 - HB3 LEU 122 far 0 61 0 - 5.5-10.5 HA ALA 52 - HB2 LEU 48 far 0 76 0 - 6.6-9.1 HA LEU 98 - HB3 LEU 122 far 0 60 0 - 7.1-10.8 HA LEU 98 - HB3 LEU 103 far 0 70 0 - 7.6-11.0 HA GLN 101 - HB3 LEU 122 far 0 59 0 - 7.6-11.4 HA GLN 101 - HB3 LEU 98 far 0 96 0 - 7.7-8.7 HA ALA 52 - HB3 LEU 122 far 0 39 0 - 8.7-13.9 HA3 GLY 114 - HB3 LEU 103 far 0 59 0 - 9.3-14.8 HA GLN 104 - HB3 LEU 122 far 0 44 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (1.78, 1.78, 41.65 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LEU 48 + HB2 LEU 48 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 97 97 - 100 HB3 LEU 103 + HB3 LEU 103 OK 63 63 - 100 HB3 LEU 122 + HB3 LEU 122 OK 53 53 - 100 Peak 1498 from cnoeabs.peaks (1.89, 1.78, 41.65 ppm; 3.41 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 48 + HB2 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 49 - HB2 LEU 48 far 8 78 10 - 4.0-7.2 HB3 LEU 123 - HB3 LEU 122 far 2 45 5 - 4.3-6.7 HB3 LEU 49 - HB3 LEU 122 far 2 41 5 - 3.5-9.6 HB3 LEU 119 - HB3 LEU 122 far 0 41 0 - 5.1-8.3 HB3 LEU 119 - HB3 LEU 103 far 0 48 0 - 6.7-10.4 HB3 LEU 123 - HB2 LEU 48 far 0 85 0 - 8.4-12.6 HB2 MET 11 - HB3 LEU 103 far 0 35 0 - 8.9-51.2 HB3 LEU 49 - HB3 LEU 103 far 0 48 0 - 9.4-13.0 HB3 LEU 123 - HB3 LEU 103 far 0 53 0 - 9.5-12.5 HB2 GLU 40 - HB2 LEU 48 far 0 100 0 - 9.9-14.7 HB3 LEU 48 - HB3 LEU 122 far 0 61 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 1499 from cnoeabs.peaks (1.71, 1.78, 41.65 ppm; 4.35 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 98 + HB3 LEU 98 OK 97 97 100 100 2.3-3.0 3.0=100 HG LEU 98 - HB3 LEU 122 far 0 60 0 - 7.0-11.7 HG LEU 98 - HB3 LEU 103 far 0 70 0 - 7.9-12.9 HB3 LEU 70 - HB3 LEU 122 far 0 61 0 - 8.4-11.1 HB3 LEU 70 - HB3 LEU 103 far 0 71 0 - 8.4-14.9 HB2 LEU 43 - HB2 LEU 48 far 0 93 0 - 8.5-10.5 HB3 LEU 70 - HB3 LEU 98 far 0 97 0 - 9.1-11.6 HB2 LEU 70 - HB3 LEU 103 far 0 70 0 - 9.6-15.5 HB2 LEU 70 - HB3 LEU 122 far 0 61 0 - 9.9-12.4 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 23 assignments used, quality = 1.00: * QD2 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 48 + HB2 LEU 48 OK 92 92 100 100 2.1-3.1 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 70 70 100 99 2.0-4.8 ~10972=40, 11811/7488=33...(21) QG1 VAL 118 + HB3 LEU 103 OK 66 66 100 100 2.4-4.1 2.1/11916=64...(27) QD1 LEU 49 + HB2 LEU 48 OK 61 100 65 95 2.8-6.8 10966/10991=40...(19) QG1 VAL 118 + HB3 LEU 122 OK 55 57 100 96 2.5-4.1 11748/3.5=42...(25) QD1 LEU 62 - HB3 LEU 122 poor 12 60 35 58 4.2-7.7 10954/3764=35...(12) QD2 LEU 123 - HB3 LEU 122 far 4 37 10 - 4.5-7.6 QD1 LEU 62 - HB3 LEU 103 far 3 69 5 - 3.4-7.0 QD1 LEU 49 - HB3 LEU 122 far 3 60 5 - 3.9-7.9 QD1 LEU 123 - HB3 LEU 122 far 0 45 0 - 5.5-7.5 QD2 LEU 123 - HB2 LEU 48 far 0 73 0 - 5.9-11.3 QG1 VAL 118 - HB3 LEU 98 far 0 94 0 - 6.0-7.8 QG2 VAL 63 - HB3 LEU 122 far 0 61 0 - 6.4-7.9 QG2 VAL 112 - HB3 LEU 103 far 0 59 0 - 6.8-11.7 QD1 LEU 49 - HB3 LEU 103 far 0 70 0 - 7.5-11.5 QD1 LEU 62 - HB2 LEU 48 far 0 100 0 - 7.5-12.1 QD1 LEU 123 - HB2 LEU 48 far 0 85 0 - 7.7-10.6 QD2 LEU 48 - HB3 LEU 122 far 0 61 0 - 8.5-12.2 QD1 LEU 48 - HB3 LEU 122 far 0 51 0 - 8.6-13.0 QD2 LEU 123 - HB3 LEU 103 far 0 44 0 - 9.2-12.2 QG2 VAL 63 - HB3 LEU 98 far 0 97 0 - 9.6-11.9 QG2 VAL 63 - HB2 LEU 48 far 0 100 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1501 from cnoeabs.peaks (0.92, 1.78, 41.65 ppm; 3.84 A): 6 out of 25 assignments used, quality = 1.00: * QD1 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.1-3.1 3.1=100 QD2 LEU 48 + HB2 LEU 48 OK 92 92 100 100 2.1-3.2 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 58 62 95 98 2.0-4.8 ~10972=37, 2.1/10963=29...(21) QD1 LEU 49 + HB2 LEU 48 OK 54 97 60 92 2.8-6.8 4.7/6598=35...(18) QG1 VAL 118 + HB3 LEU 103 OK 44 44 100 100 2.4-4.1 2.1/11916=60...(25) QG1 VAL 118 + HB3 LEU 122 OK 34 37 100 90 2.5-4.1 11748/3.5=26...(24) QD1 LEU 62 - HB3 LEU 122 poor 17 56 30 - 4.2-7.7 QD1 LEU 62 - HB3 LEU 103 far 3 65 5 - 3.4-7.0 QD1 LEU 49 - HB3 LEU 122 far 3 55 5 - 3.9-7.9 QD1 LEU 119 - HB3 LEU 103 far 3 55 5 - 4.5-8.1 QD1 LEU 123 - HB3 LEU 122 far 0 60 0 - 5.5-7.5 QD1 LEU 119 - HB3 LEU 122 far 0 47 0 - 6.0-8.4 QG1 VAL 118 - HB3 LEU 98 far 0 68 0 - 6.0-7.8 QG2 VAL 63 - HB3 LEU 122 far 0 53 0 - 6.4-7.9 QG2 VAL 112 - HB3 LEU 103 far 0 71 0 - 6.8-11.7 QG1 VAL 57 - HB2 LEU 48 far 0 71 0 - 7.3-9.9 QD1 LEU 49 - HB3 LEU 103 far 0 64 0 - 7.5-11.5 QD1 LEU 62 - HB2 LEU 48 far 0 97 0 - 7.5-12.1 QD1 LEU 123 - HB2 LEU 48 far 0 100 0 - 7.7-10.6 QD2 LEU 48 - HB3 LEU 122 far 0 51 0 - 8.5-12.2 QD1 LEU 48 - HB3 LEU 122 far 0 61 0 - 8.6-13.0 QG2 VAL 63 - HB3 LEU 98 far 0 89 0 - 9.6-11.9 QG1 VAL 57 - HB3 LEU 103 far 0 43 0 - 9.6-12.4 QG2 VAL 63 - HB2 LEU 48 far 0 95 0 - 9.8-13.2 QG1 VAL 57 - HB3 LEU 122 far 0 36 0 - 9.9-13.3 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 16 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 48 OK 100 100 100 100 2.1-3.9 6598=100, 6589/6584=68...(36) H SER 99 + HB3 LEU 98 OK 92 92 100 100 2.1-3.7 4.6=83, 3.8/7364=63...(20) H SER 99 + HB3 LEU 122 OK 28 55 55 94 3.9-7.7 3.4/7399=27...(25) H VAL 126 - HB3 LEU 122 poor 11 54 20 - 5.0-5.9 H LEU 96 - HB3 LEU 98 far 3 58 5 - 5.2-7.0 H LEU 96 - HB3 LEU 122 far 0 31 0 - 5.8-8.9 H SER 99 - HB3 LEU 103 far 0 64 0 - 6.2-9.5 H LEU 69 - HB2 LEU 48 far 0 100 0 - 6.9-10.6 H LEU 49 - HB3 LEU 122 far 0 61 0 - 7.0-11.8 H GLY 111 - HB3 LEU 103 far 0 71 0 - 7.2-12.8 H ALA 110 - HB3 LEU 103 far 0 70 0 - 7.7-13.3 H LEU 69 - HB3 LEU 122 far 0 60 0 - 8.8-11.2 H LEU 43 - HB2 LEU 48 far 0 92 0 - 8.8-10.6 H VAL 126 - HB3 LEU 98 far 0 91 0 - 8.9-11.3 H LEU 69 - HB3 LEU 103 far 0 70 0 - 9.8-14.2 H LEU 96 - HB3 LEU 103 far 0 37 0 - 9.9-13.6 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 2.4-5.6 1438=100, 1437/1.8=86...(16) HA LEU 48 + HB3 LEU 48 OK 95 95 100 100 2.3-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 92 92 100 100 3.7-5.4 ~6598=52, 2.9/6599=41...(30) HA ALA 52 - HB3 LEU 48 far 0 97 0 - 7.0-9.1 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 2.0-3.5 3.9=100 H ALA 52 - HB3 LEU 48 far 0 89 0 - 5.2-6.6 H SER 130 - HB3 LEU 48 far 0 97 0 - 9.8-13.2 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 2.3-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 100 100 100 100 3.7-5.4 ~6598=53, 2.9/6599=42...(30) HA CYS 45 + HB3 LEU 48 OK 95 95 100 100 2.4-5.6 1438=91, 1437/1.8=80...(16) HA ALA 52 - HB3 LEU 48 far 0 76 0 - 7.0-9.1 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 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (1.89, 1.89, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 48 + HB3 LEU 48 OK 100 100 - 100 Peak 1508 from cnoeabs.peaks (1.71, 1.89, 41.65 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 43 - HB3 LEU 48 far 0 93 0 - 8.5-11.0 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 8 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 48 + HB3 LEU 48 OK 92 92 100 100 2.1-3.2 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 72 100 75 97 2.6-6.6 10966/9201=38, ~9205=28...(23) QD2 LEU 123 - HB3 LEU 48 far 0 73 0 - 6.1-11.0 QD1 LEU 123 - HB3 LEU 48 far 0 85 0 - 8.0-10.6 QD1 LEU 62 - HB3 LEU 48 far 0 100 0 - 8.3-11.3 QD1 LEU 22 - HB3 LEU 48 far 0 93 0 - 9.9-33.9 QG2 VAL 63 - HB3 LEU 48 far 0 100 0 - 9.9-12.8 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 8 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 48 + HB3 LEU 48 OK 92 92 100 100 2.1-3.2 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 70 97 75 96 2.6-6.6 10966/9201=35, ~9205=28...(23) QG1 VAL 57 - HB3 LEU 48 far 0 71 0 - 7.9-9.9 QD1 LEU 123 - HB3 LEU 48 far 0 100 0 - 8.0-10.6 QD1 LEU 62 - HB3 LEU 48 far 0 97 0 - 8.3-11.3 QD1 LEU 22 - HB3 LEU 48 far 0 60 0 - 9.9-33.9 QG2 VAL 63 - HB3 LEU 48 far 0 95 0 - 9.9-12.8 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 3 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 48 OK 100 100 100 100 2.1-4.4 4.6=100 H LEU 69 - HB3 LEU 48 far 0 100 0 - 6.9-11.4 H LEU 43 - HB3 LEU 48 far 0 92 0 - 8.7-11.5 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 3 assignments used, quality = 1.00: * H LEU 48 + HG LEU 48 OK 100 100 100 100 3.7-4.6 6586=100, 6585/3.0=65...(21) H ALA 52 - HG LEU 48 far 0 89 0 - 5.7-6.8 H CYS 125 - HG LEU 98 far 0 99 0 - 8.1-11.6 Violated in 19 structures by 0.20 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 2.2-4.2 3.7=100 HA LEU 98 + HG LEU 98 OK 99 99 100 100 2.6-3.7 3.7=100 HA CYS 45 + HG LEU 48 OK 46 95 50 98 3.7-5.5 1438/3.0=45, 10886=45...(11) HA LEU 49 - HG LEU 48 far 0 100 0 - 5.1-6.3 HA ALA 52 - HG LEU 48 far 0 76 0 - 7.2-8.6 HA GLN 101 - HG LEU 98 far 0 98 0 - 8.3-8.9 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 2.3-3.0 3.0=100 HB3 LEU 98 + HG LEU 98 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 LEU 122 - HG LEU 98 far 0 92 0 - 7.0-11.7 HG LEU 100 - HG LEU 98 far 0 99 0 - 7.7-9.8 HB3 LEU 103 - HG LEU 98 far 0 93 0 - 7.9-12.9 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 2.4-3.0 3.0=100 HB3 LEU 49 - HG LEU 48 far 0 78 0 - 5.3-8.2 HB2 ARG 90 - HG LEU 98 far 0 82 0 - 9.4-13.5 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 8 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 - 5.2-7.5 QG1 VAL 118 - HG LEU 98 far 0 96 0 - 5.7-8.7 QD2 LEU 123 - HG LEU 48 far 0 73 0 - 7.7-11.7 QD1 LEU 22 - HG LEU 48 far 0 93 0 - 8.3-34.4 QD1 LEU 123 - HG LEU 48 far 0 85 0 - 9.1-11.7 QD1 LEU 62 - HG LEU 48 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 1518 from cnoeabs.peaks (0.92, 1.71, 26.79 ppm; 3.26 A): 2 out of 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 - 5.2-7.5 QG1 VAL 118 - HG LEU 98 far 0 71 0 - 5.7-8.7 QG1 VAL 57 - HG LEU 48 far 0 71 0 - 7.7-9.0 QD1 LEU 22 - HG LEU 48 far 0 60 0 - 8.3-34.4 QD1 LEU 123 - HG LEU 48 far 0 100 0 - 9.1-11.7 QD1 LEU 62 - HG LEU 48 far 0 97 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (8.30, 1.71, 26.79 ppm; 4.53 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 49 + HG LEU 48 OK 100 100 100 100 4.3-5.0 6600=86, 6589/6586=71...(38) H SER 99 + HG LEU 98 OK 94 95 100 100 1.9-4.7 3.8/3176=65, 3191/2.1=55...(16) H LEU 96 + HG LEU 98 OK 47 60 80 96 4.3-5.9 3.6/11468=66...(17) H VAL 126 - HG LEU 98 far 0 93 0 - 8.6-11.5 H LEU 69 - HG LEU 48 far 0 100 0 - 9.0-10.8 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 4.0-4.4 6586/2.1=84, 6585/3.1=75...(25) H ALA 52 + QD2 LEU 48 OK 83 89 100 93 3.4-4.2 9227=53, 2.9/9231=44...(11) H LEU 48 + QD1 LEU 48 OK 42 42 100 100 1.9-4.2 6586/2.1=84, 6585/3.1=75...(25) H CYS 125 + QD1 LEU 123 OK 38 43 90 98 4.3-5.2 3979/10372=43...(13) H ALA 52 - QD1 LEU 48 far 3 32 10 - 4.1-6.6 H ALA 52 - QD1 LEU 123 far 0 33 0 - 5.4-7.5 H SER 130 - QD1 LEU 123 far 0 39 0 - 7.0-8.6 H LEU 48 - QD1 LEU 123 far 0 43 0 - 7.1-9.4 H SER 130 - QD1 LEU 48 far 0 38 0 - 8.4-11.8 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (4.11, 0.91, 23.93 ppm; 3.18 A): 4 out of 13 assignments used, quality = 1.00: * HA LEU 48 + QD2 LEU 48 OK 98 100 100 98 1.9-3.2 3.8=58, 1615/10961=26...(24) HA LEU 49 + QD2 LEU 48 OK 95 100 100 95 2.3-4.0 2.9/1527=28, 1542=26...(30) HA LEU 48 + QD1 LEU 48 OK 40 42 100 95 3.4-3.8 4.0=49, ~6586=22...(20) HA CYS 45 + QD1 LEU 48 OK 32 36 100 89 1.8-3.8 9164=30, 1438/3.1=30...(11) HA LEU 49 - QD1 LEU 48 far 6 42 15 - 2.3-5.8 HA CYS 45 - QD2 LEU 48 far 0 95 0 - 4.4-5.4 HA ALA 52 - QD2 LEU 48 far 0 76 0 - 4.4-5.2 HA ALA 52 - QD1 LEU 48 far 0 26 0 - 5.3-7.6 HA LEU 49 - QD1 LEU 123 far 0 43 0 - 5.5-8.1 HA LEU 48 - QD1 LEU 123 far 0 43 0 - 7.2-9.6 HA ALA 52 - QD1 LEU 123 far 0 27 0 - 7.5-8.7 HA3 GLY 114 - QD1 LEU 123 far 0 35 0 - 9.1-14.5 HA CYS 45 - QD1 LEU 123 far 0 37 0 - 9.4-11.3 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 9 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.1-3.1 3.1=100 HB3 LEU 122 - QD1 LEU 123 far 0 37 0 - 5.5-7.5 HB2 LEU 48 - QD1 LEU 123 far 0 43 0 - 7.7-10.6 HG LEU 100 - QD1 LEU 123 far 0 42 0 - 7.7-11.0 HG LEU 100 - QD1 LEU 48 far 0 41 0 - 7.9-11.4 HB3 LEU 122 - QD2 LEU 48 far 0 95 0 - 8.5-12.2 HB3 LEU 122 - QD1 LEU 48 far 0 36 0 - 8.6-13.0 HG LEU 100 - QD2 LEU 48 far 0 100 0 - 9.7-11.4 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 13 assignments used, quality = 1.00: * HB3 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.1-3.2 3.1=100 HB3 LEU 123 + QD1 LEU 123 OK 31 31 100 100 2.4-3.2 3.2=100 HB3 LEU 49 - QD2 LEU 48 far 8 78 10 - 3.4-6.0 HB3 LEU 49 - QD1 LEU 48 far 4 27 15 - 2.3-7.4 HB3 LEU 49 - QD1 LEU 123 far 1 28 5 - 4.1-8.6 HB3 LEU 119 - QD1 LEU 123 far 0 28 0 - 6.2-8.5 HB3 LEU 48 - QD1 LEU 123 far 0 43 0 - 8.0-10.6 HB3 LYS 36 - QD1 LEU 48 far 0 38 0 - 8.1-15.5 HB3 LEU 123 - QD2 LEU 48 far 0 85 0 - 8.2-10.6 HB3 LEU 123 - QD1 LEU 48 far 0 30 0 - 8.7-12.1 HB2 GLU 40 - QD1 LEU 48 far 0 41 0 - 9.1-11.7 HB3 LEU 119 - QD2 LEU 48 far 0 78 0 - 9.8-12.4 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 - QD1 LEU 48 far 0 35 0 - 7.3-9.8 HG LEU 48 - QD1 LEU 123 far 0 43 0 - 9.1-11.7 HB3 LEU 70 - QD1 LEU 48 far 0 42 0 - 9.2-12.9 HB2 LEU 43 - QD2 LEU 48 far 0 93 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1525 from cnoeabs.peaks (0.91, 0.91, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 48 + QD2 LEU 48 OK 100 100 - 100 QD1 LEU 48 + QD1 LEU 48 OK 34 34 - 100 QD1 LEU 123 + QD1 LEU 123 OK 31 31 - 100 Peak 1526 from cnoeabs.peaks (0.92, 0.91, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 0.97: QD2 LEU 48 + QD2 LEU 48 OK 92 92 - 100 QD1 LEU 123 + QD1 LEU 123 OK 42 42 - 100 QD1 LEU 48 + QD1 LEU 48 OK 42 42 - 100 Reference assignment not found: QD1 LEU 48 - QD2 LEU 48 Peak 1527 from cnoeabs.peaks (8.30, 0.91, 23.93 ppm; 3.89 A): 2 out of 13 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 48 OK 99 100 100 99 3.2-4.0 6598/3.1=52, 6600/2.1=50...(33) H LEU 49 + QD1 LEU 48 OK 39 42 95 99 2.0-4.8 6598/3.1=52, 6600/2.1=50...(43) H VAL 126 - QD1 LEU 123 poor 17 38 45 - 4.3-5.8 H LEU 49 - QD1 LEU 123 far 0 43 0 - 5.8-8.6 H LEU 69 - QD1 LEU 48 far 0 41 0 - 6.0-7.7 H LEU 69 - QD2 LEU 48 far 0 100 0 - 7.4-9.4 H LEU 43 - QD1 LEU 48 far 0 34 0 - 7.5-9.9 H TYR 72 - QD1 LEU 48 far 0 30 0 - 8.5-10.7 H VAL 126 - QD1 LEU 48 far 0 37 0 - 8.8-12.1 H ALA 28 - QD1 LEU 48 far 0 25 0 - 9.0-24.3 H LEU 96 - QD1 LEU 123 far 0 21 0 - 9.2-10.6 H SER 99 - QD1 LEU 123 far 0 38 0 - 9.7-11.3 H LEU 69 - QD1 LEU 123 far 0 42 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (8.04, 0.92, 24.30 ppm; 3.64 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 48 + QD1 LEU 48 OK 100 100 100 100 1.9-4.2 6586/2.1=69, 6585/3.1=60...(25) H LEU 48 + QD2 LEU 48 OK 42 42 100 100 4.0-4.4 6586/2.1=69, 6585/3.1=60...(25) H ALA 52 + QD2 LEU 48 OK 26 32 100 79 3.4-4.2 2.9/9231=37, 9227=28...(10) H ALA 52 - QD1 LEU 48 far 4 89 5 - 4.1-6.6 H SER 130 - QD1 LEU 48 far 0 97 0 - 8.4-11.8 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (4.11, 0.92, 24.30 ppm; 2.89 A): 4 out of 8 assignments used, quality = 0.97: HA CYS 45 + QD1 LEU 48 OK 75 95 95 83 1.8-3.8 9164=29, 1438/3.1=24...(11) * HA LEU 48 + QD1 LEU 48 OK 74 100 80 93 3.4-3.8 4.0=37, 2.9/1528=21...(20) HA LEU 48 + QD2 LEU 48 OK 39 42 100 94 1.9-3.2 3.8=44, 1615/10961=17...(23) HA LEU 49 + QD2 LEU 48 OK 29 42 80 86 2.3-4.0 1542=18, ~6600=14...(28) HA LEU 49 - QD1 LEU 48 far 15 100 15 - 2.3-5.8 HA CYS 45 - QD2 LEU 48 far 0 36 0 - 4.4-5.4 HA ALA 52 - QD2 LEU 48 far 0 26 0 - 4.4-5.2 HA ALA 52 - QD1 LEU 48 far 0 76 0 - 5.3-7.6 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 6 assignments used, quality = 1.00: * HB2 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.1-3.1 3.1=100 HB2 LEU 48 + QD2 LEU 48 OK 42 42 100 100 2.1-3.2 3.1=100 HG LEU 100 - QD1 LEU 48 far 0 100 0 - 7.9-11.4 HB3 LEU 122 - QD2 LEU 48 far 0 36 0 - 8.5-12.2 HB3 LEU 122 - QD1 LEU 48 far 0 95 0 - 8.6-13.0 HG LEU 100 - QD2 LEU 48 far 0 41 0 - 9.7-11.4 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 9 assignments used, quality = 1.00: * HB3 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 48 + QD2 LEU 48 OK 42 42 100 99 2.1-3.2 3.1=97, 1.8/1530=26...(23) HB3 LEU 49 - QD1 LEU 48 far 8 78 10 - 2.3-7.4 HB3 LEU 49 - QD2 LEU 48 far 3 27 10 - 3.4-6.0 HB3 LYS 36 - QD1 LEU 48 far 0 97 0 - 8.1-15.5 HB3 LEU 123 - QD2 LEU 48 far 0 30 0 - 8.2-10.6 HB3 LEU 123 - QD1 LEU 48 far 0 85 0 - 8.7-12.1 HB2 GLU 40 - QD1 LEU 48 far 0 100 0 - 9.1-11.7 HB3 LEU 119 - QD2 LEU 48 far 0 27 0 - 9.8-12.4 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 - QD1 LEU 48 far 0 93 0 - 7.3-9.8 HB3 LEU 70 - QD1 LEU 48 far 0 100 0 - 9.2-12.9 HB2 LEU 43 - QD2 LEU 48 far 0 35 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1533 from cnoeabs.peaks (0.91, 0.92, 24.30 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 48 + QD1 LEU 48 OK 92 92 - 100 QD2 LEU 48 + QD2 LEU 48 OK 42 42 - 100 Reference assignment not found: QD2 LEU 48 - QD1 LEU 48 Peak 1534 from cnoeabs.peaks (0.92, 0.92, 24.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 48 + QD1 LEU 48 OK 100 100 - 100 QD2 LEU 48 + QD2 LEU 48 OK 34 34 - 100 Peak 1535 from cnoeabs.peaks (8.30, 0.92, 24.30 ppm; 4.46 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 48 OK 100 100 100 100 2.0-4.8 6598/3.1=67, 6600/2.1=67...(44) H LEU 49 + QD2 LEU 48 OK 42 42 100 100 3.2-4.0 6598/3.1=67, 6600/2.1=67...(33) H LEU 69 - QD1 LEU 48 far 0 100 0 - 6.0-7.7 H LEU 69 - QD2 LEU 48 far 0 41 0 - 7.4-9.4 H LEU 43 - QD1 LEU 48 far 0 92 0 - 7.5-9.9 H TYR 72 - QD1 LEU 48 far 0 85 0 - 8.5-10.7 H VAL 126 - QD1 LEU 48 far 0 96 0 - 8.8-12.1 H ALA 28 - QD1 LEU 48 far 0 73 0 - 9.0-24.3 Violated in 0 structures by 0.00 A. Peak 1536 from cnoeabs.peaks (8.30, 4.11, 57.64 ppm; 4.27 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 H SER 99 + HA LEU 98 OK 79 79 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 48 OK 66 66 100 100 3.4-3.6 3.6=100 H LEU 96 - HA LEU 98 far 0 47 0 - 6.7-7.3 H LEU 69 - HA LEU 49 far 0 100 0 - 7.4-9.4 H VAL 126 - HA LEU 49 far 0 96 0 - 7.9-10.0 H LEU 69 - HA LEU 48 far 0 66 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 1537 from cnoeabs.peaks (4.11, 4.11, 57.64 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 49 + HA LEU 49 OK 100 100 - 100 HA LEU 98 + HA LEU 98 OK 85 85 - 100 HA LEU 48 + HA LEU 48 OK 66 66 - 100 Peak 1538 from cnoeabs.peaks (1.50, 4.11, 57.64 ppm; 4.09 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 49 + HA LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 52 + HA LEU 49 OK 83 87 100 96 2.1-3.4 1631=45, 9247/2.9=43...(16) QB ALA 52 + HA LEU 48 OK 21 51 50 82 4.6-5.3 9247/3.6=38, 9231/3.8=29...(11) HB2 LEU 53 - HA LEU 49 far 0 73 0 - 5.0-7.6 HB2 LEU 49 - HA LEU 48 far 0 66 0 - 5.5-6.6 HG LEU 69 - HA LEU 49 far 0 89 0 - 7.0-10.3 HG LEU 69 - HA LEU 48 far 0 53 0 - 8.7-11.2 HB2 LEU 53 - HA LEU 48 far 0 41 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (1.92, 4.11, 57.64 ppm; 4.03 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LEU 48 + HA LEU 48 OK 45 45 100 100 2.3-3.0 3.0=100 HG LEU 53 + HA LEU 49 OK 39 83 50 95 2.8-7.0 2.1/1541=33, 5.3/6656=16...(24) HB3 LEU 48 + HA LEU 49 OK 35 78 45 98 3.7-5.4 ~6598=38, 6605/2.9=26...(30) HB3 LEU 123 - HA LEU 49 far 0 53 0 - 5.1-7.9 HB3 LEU 49 - HA LEU 48 far 0 66 0 - 5.9-6.6 HB3 LYS 95 - HA LEU 98 far 0 56 0 - 7.1-7.9 HG LEU 53 - HA LEU 48 far 0 48 0 - 7.3-10.8 HB2 LYS 95 - HA LEU 98 far 0 62 0 - 7.8-8.4 HB3 LEU 123 - HA LEU 48 far 0 28 0 - 8.7-11.4 HB2 MET 11 - HA LEU 98 far 0 83 0 - 9.0-55.3 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 7 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 100 100 2.2-3.7 3.7=100 HG LEU 49 - HA LEU 48 far 3 66 5 - 5.0-7.2 HG LEU 123 - HA LEU 49 far 0 100 0 - 5.1-9.8 HB2 LEU 119 - HA LEU 49 far 0 65 0 - 6.6-9.9 HG LEU 103 - HA LEU 98 far 0 72 0 - 7.3-11.4 HB2 LEU 103 - HA LEU 98 far 0 84 0 - 7.7-9.4 HG LEU 123 - HA LEU 48 far 0 65 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (0.80, 4.11, 57.64 ppm; 3.89 A): 2 out of 20 assignments used, quality = 1.00: * QD2 LEU 49 + HA LEU 49 OK 100 100 100 100 2.4-4.0 1573=100, 2.1/1581=53...(16) QD1 LEU 53 + HA LEU 49 OK 75 100 80 94 3.0-6.2 9218/4.8=35, 6621/3.6=26...(23) QD1 LEU 122 - HA LEU 49 far 5 97 5 - 4.7-7.4 QD2 LEU 122 - HA LEU 49 far 0 97 0 - 5.4-8.9 QD1 LEU 70 - HA LEU 98 far 0 60 0 - 5.6-7.5 QD2 LEU 122 - HA LEU 98 far 0 80 0 - 5.8-8.6 QD2 LEU 49 - HA LEU 48 far 0 66 0 - 5.8-7.0 QD1 LEU 122 - HA LEU 98 far 0 80 0 - 6.2-9.3 QD1 LEU 96 - HA LEU 98 far 0 54 0 - 6.3-7.4 QD1 LEU 53 - HA LEU 48 far 0 66 0 - 6.5-8.8 QD1 LEU 96 - HA LEU 49 far 0 71 0 - 6.6-8.6 QD2 LEU 119 - HA LEU 49 far 0 100 0 - 6.7-9.2 QD1 LEU 103 - HA LEU 98 far 0 73 0 - 6.8-9.1 QG1 VAL 63 - HA LEU 98 far 0 75 0 - 7.8-10.8 QD1 LEU 103 - HA LEU 49 far 0 92 0 - 8.0-10.3 QD1 LEU 122 - HA LEU 48 far 0 61 0 - 8.4-11.3 QD2 LEU 122 - HA LEU 48 far 0 61 0 - 8.8-12.6 QG1 VAL 63 - HA LEU 49 far 0 93 0 - 8.9-9.9 QD1 LEU 96 - HA LEU 48 far 0 40 0 - 9.3-11.1 QD2 LEU 49 - HA LEU 98 far 0 85 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (0.91, 4.11, 57.64 ppm; 3.37 A): 4 out of 17 assignments used, quality = 1.00: * QD1 LEU 49 + HA LEU 49 OK 98 100 100 98 2.0-4.0 1581=62, 2.1/1573=54...(19) QD2 LEU 48 + HA LEU 49 OK 97 100 100 97 2.3-4.0 1521=36, 1527/2.9=32...(31) QD2 LEU 48 + HA LEU 48 OK 65 66 100 99 1.9-3.2 3.8=69, 10961/1615=29...(25) QD1 LEU 48 + HA LEU 48 OK 60 60 100 98 3.4-3.8 4.0=58, 1528/2.9=28...(21) QD2 LEU 123 - HA LEU 49 poor 19 63 30 - 3.3-7.7 QD1 LEU 48 - HA LEU 49 far 14 97 15 - 2.3-5.8 QD1 LEU 49 - HA LEU 48 far 0 66 0 - 4.5-6.2 QD1 LEU 62 - HA LEU 49 far 0 100 0 - 4.7-7.7 QD1 LEU 123 - HA LEU 49 far 0 92 0 - 5.5-8.1 QD2 LEU 123 - HA LEU 48 far 0 34 0 - 6.1-9.5 QG1 VAL 118 - HA LEU 98 far 0 76 0 - 6.4-7.0 QD1 LEU 123 - HA LEU 48 far 0 56 0 - 7.2-9.6 QD1 LEU 119 - HA LEU 49 far 0 60 0 - 7.4-10.6 QG1 VAL 118 - HA LEU 49 far 0 95 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 100 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 85 0 - 8.5-10.4 QD1 LEU 62 - HA LEU 48 far 0 66 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (8.66, 4.11, 57.64 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * H SER 50 + HA LEU 49 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 50 + HA LEU 48 OK 66 66 100 100 4.1-4.5 6590/2.9=69, 6617=50...(20) H HIS 8 - HA LEU 98 far 0 85 0 - 7.5-60.8 H HIS 67 - HA LEU 49 far 0 100 0 - 8.0-9.6 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 6 assignments used, quality = 1.00: * H ALA 52 + HA LEU 49 OK 99 100 100 99 2.9-3.6 2.9/1631=38, 6644=38...(29) H ALA 52 + HA LEU 48 OK 57 66 90 95 4.2-5.0 1620/1615=46...(14) 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 - 5.1-5.6 H VAL 57 - HA LEU 49 far 0 78 0 - 9.0-10.8 H CYS 125 - HA LEU 49 far 0 92 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 1545 from cnoeabs.peaks (1.48, 4.11, 57.64 ppm; 4.06 A): 3 out of 4 assignments used, quality = 1.00: * QB ALA 52 + HA LEU 49 OK 98 100 100 98 2.1-3.4 1631=57, 9247/2.9=52...(16) HB2 LEU 49 + HA LEU 49 OK 87 87 100 100 2.4-3.0 3.0=100 QB ALA 52 + HA LEU 48 OK 29 66 50 86 4.6-5.3 9247/3.6=46, 9231/3.8=36...(11) HB2 LEU 49 - HA LEU 48 far 0 51 0 - 5.5-6.6 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 2.3-5.6 10898/3.2=98...(18) HB3 SER 50 + HB2 LEU 49 OK 99 99 100 100 4.3-6.1 11338=84, 3.9/6618=64...(26) HA LEU 70 - HB2 LEU 49 far 0 93 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (8.30, 1.50, 41.17 ppm; 4.98 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.2-3.6 3.9=100 H VAL 126 - HB2 LEU 49 far 14 96 15 - 5.4-8.1 H LEU 69 - HB2 LEU 49 far 0 100 0 - 6.2-8.7 H LEU 43 - HB2 LEU 49 far 0 92 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (4.11, 1.50, 41.17 ppm; 5.15 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 48 + HB2 LEU 49 OK 90 100 90 100 5.5-6.6 3.6/6604=54, 2.9/9198=48...(54) HA CYS 45 + HB2 LEU 49 OK 26 92 30 95 5.0-8.2 4.8/10899=47...(11) HA ALA 52 - HB2 LEU 49 far 0 71 0 - 6.8-8.5 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 HG LEU 53 + HB2 LEU 49 OK 45 83 55 98 3.0-7.3 2.1/1552=38, ~1674=26...(26) HB3 LEU 48 + HB2 LEU 49 OK 39 78 50 99 4.0-6.7 4.6/6604=37, 3.9/9198=33...(45) HB3 LEU 123 - HB2 LEU 49 poor 19 53 40 88 4.0-7.7 3.2/1553=16, 3.0/1551=13...(35) Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (1.57, 1.50, 41.17 ppm; 5.11 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 123 + HB2 LEU 49 OK 29 100 35 84 4.3-9.0 2.1/1553=20, 1560/1.8=14...(25) HB2 LEU 119 - HB2 LEU 49 far 0 65 0 - 7.0-10.9 HG LEU 103 - HB2 LEU 49 far 0 90 0 - 9.3-13.8 HB2 LEU 103 - HB2 LEU 49 far 0 100 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (0.80, 1.50, 41.17 ppm; 4.46 A): 3 out of 10 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.0-3.1 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 93 100 95 98 2.2-6.5 1674/1.8=35, 1541/3.0=32...(32) QD1 LEU 122 + HB2 LEU 49 OK 21 97 60 36 3.5-7.4 1561/1.8=13, ~3872=3...(13) QD2 LEU 122 - HB2 LEU 49 poor 19 97 20 - 3.7-8.2 QD1 LEU 96 - HB2 LEU 49 far 7 71 10 - 5.0-7.0 QD2 LEU 119 - HB2 LEU 49 far 0 100 0 - 7.0-10.1 QD1 LEU 103 - HB2 LEU 49 far 0 92 0 - 7.3-11.0 QG1 VAL 63 - HB2 LEU 49 far 0 93 0 - 7.7-10.6 QG2 ILE 129 - HB2 LEU 49 far 0 71 0 - 7.9-9.9 QD1 LEU 70 - HB2 LEU 49 far 0 78 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 1553 from cnoeabs.peaks (0.91, 1.50, 41.17 ppm; 4.40 A): 5 out of 9 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 123 + HB2 LEU 49 OK 39 92 55 77 3.9-7.7 11339/11338=22...(25) QD2 LEU 48 + HB2 LEU 49 OK 30 100 30 99 4.3-5.9 9205/3.0=45, 1527/3.9=42...(47) QD2 LEU 123 + HB2 LEU 49 OK 28 63 65 69 2.0-7.5 11422/1552=13...(18) QD1 LEU 48 + HB2 LEU 49 OK 24 97 25 100 3.0-6.9 1535/3.9=34, ~9205=29...(59) QD1 LEU 62 - HB2 LEU 49 far 5 100 5 - 5.1-9.2 QG2 VAL 63 - HB2 LEU 49 far 0 100 0 - 7.3-10.2 QG1 VAL 118 - HB2 LEU 49 far 0 95 0 - 7.8-10.3 QD1 LEU 119 - HB2 LEU 49 far 0 60 0 - 8.0-11.6 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (3.90, 1.92, 41.17 ppm; 5.24 A): 2 out of 6 assignments used, quality = 1.00: * HA ALA 46 + HB3 LEU 49 OK 100 100 100 100 3.3-5.8 10899/1.8=93...(16) HB3 SER 50 + HB3 LEU 49 OK 69 99 70 100 4.7-6.4 11338/1.8=83...(26) HB3 SER 50 - HB3 LEU 123 far 5 46 10 - 5.4-8.4 HA ALA 46 - HB3 LEU 123 far 0 48 0 - 7.8-10.2 HA2 GLY 114 - HB3 LEU 123 far 0 42 0 - 8.3-15.0 HA LEU 70 - HB3 LEU 49 far 0 93 0 - 9.8-12.2 Violated in 3 structures by 0.01 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 2.7-3.6 3.9=100 H VAL 126 - HB3 LEU 49 far 0 96 0 - 5.5-9.1 H VAL 126 - HB3 LEU 123 far 0 43 0 - 5.5-6.2 H LEU 69 - HB3 LEU 49 far 0 100 0 - 5.9-8.8 H LEU 49 - HB3 LEU 123 far 0 48 0 - 6.6-9.2 H SER 99 - HB3 LEU 123 far 0 43 0 - 9.4-12.1 H TYR 72 - HB3 LEU 49 far 0 85 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 1557 from cnoeabs.peaks (4.11, 1.92, 41.17 ppm; 3.75 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.3-2.7 3.0=100 HA CYS 45 - HB3 LEU 49 far 9 92 10 - 4.5-8.4 HA LEU 49 - HB3 LEU 123 far 0 48 0 - 5.1-7.9 HA LEU 48 - HB3 LEU 49 far 0 100 0 - 5.9-6.6 HA ALA 52 - HB3 LEU 49 far 0 71 0 - 6.5-8.0 HA ALA 52 - HB3 LEU 123 far 0 28 0 - 7.5-10.1 HA3 GLY 114 - HB3 LEU 123 far 0 38 0 - 8.5-15.3 HA LEU 48 - HB3 LEU 123 far 0 48 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (1.50, 1.92, 41.17 ppm; 4.82 A): 5 out of 9 assignments used, quality = 1.00: * HB2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 52 + HB3 LEU 49 OK 85 87 100 98 3.6-5.2 9247/3.9=48, 1631/3.0=39...(20) HB2 LEU 53 + HB3 LEU 49 OK 29 73 40 98 4.1-7.9 3.1/1561=30, 1.8/1658=24...(31) HB2 LEU 53 + HB3 LEU 123 OK 27 29 95 97 2.2-6.1 ~11571=43, ~9254=39...(18) HB2 LEU 49 + HB3 LEU 123 OK 22 48 50 90 4.0-7.7 1553/3.2=16, 1551/3.0=14...(35) QB ALA 52 - HB3 LEU 123 poor 9 36 25 - 5.2-8.1 HG LEU 69 - HB3 LEU 49 far 9 89 10 - 4.8-9.2 HG LEU 42 - HB3 LEU 49 far 0 97 0 - 8.6-12.1 HG LEU 69 - HB3 LEU 123 far 0 38 0 - 8.8-11.5 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 10 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 123 + HB3 LEU 123 OK 47 47 100 100 2.2-3.0 3.0=100 HG LEU 123 - HB3 LEU 49 poor 18 100 25 71 3.9-10.0 1551/1.8=13, 2.1/1562=13...(22) HB2 LEU 119 - HB3 LEU 123 poor 16 25 65 - 4.8-6.4 HG LEU 49 - HB3 LEU 123 far 5 48 10 - 4.9-9.1 HB2 LEU 119 - HB3 LEU 49 far 0 65 0 - 6.3-10.2 HG LEU 103 - HB3 LEU 123 far 0 39 0 - 8.5-12.5 HB2 LEU 103 - HB3 LEU 123 far 0 47 0 - 8.5-11.6 HB2 LEU 103 - HB3 LEU 49 far 0 100 0 - 9.1-13.1 HG LEU 103 - HB3 LEU 49 far 0 90 0 - 9.2-12.8 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 17 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.9-2.7 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 88 100 90 98 1.8-6.1 1552/1.8=36, 1541/3.0=30...(32) QD1 LEU 53 + HB3 LEU 123 OK 47 48 100 99 1.8-4.0 11422/3.2=71...(16) QD1 LEU 122 + HB3 LEU 49 OK 36 97 65 57 3.1-6.9 11110/10960=35...(10) QD1 LEU 122 - HB3 LEU 123 poor 18 44 55 74 2.5-6.2 3899/3.9=48...(7) QD2 LEU 49 - HB3 LEU 123 poor 17 48 35 - 4.3-7.2 QD2 LEU 122 - HB3 LEU 123 poor 11 44 25 - 3.4-6.9 QD2 LEU 122 - HB3 LEU 49 poor 8 97 25 32 3.7-8.0 1676/11679=9, ~1552=5...(8) QD1 LEU 96 - HB3 LEU 49 far 4 71 5 - 5.1-6.8 QD2 LEU 119 - HB3 LEU 123 far 2 47 5 - 4.8-7.1 QD1 LEU 103 - HB3 LEU 123 far 0 40 0 - 5.7-9.6 QD1 LEU 96 - HB3 LEU 123 far 0 28 0 - 6.0-7.7 QD2 LEU 119 - HB3 LEU 49 far 0 100 0 - 6.5-9.6 QD1 LEU 103 - HB3 LEU 49 far 0 92 0 - 7.0-10.4 QG1 VAL 63 - HB3 LEU 49 far 0 93 0 - 8.0-9.6 QD1 LEU 70 - HB3 LEU 49 far 0 78 0 - 8.4-11.1 QG2 ILE 129 - HB3 LEU 49 far 0 71 0 - 8.4-10.0 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 2.1-3.2 3.2=100 QD1 LEU 123 + HB3 LEU 123 OK 40 40 100 100 2.4-3.2 3.2=100 QD2 LEU 123 + HB3 LEU 123 OK 24 24 100 100 2.0-2.8 3.2=100 QD2 LEU 123 - HB3 LEU 49 poor 15 63 50 47 1.9-8.3 ~1553=7, 11422/1561=7...(13) QD1 LEU 48 - HB3 LEU 49 far 14 97 15 - 2.3-7.4 QD2 LEU 48 - HB3 LEU 49 far 10 100 10 - 3.4-6.0 QD1 LEU 49 - HB3 LEU 123 far 7 48 15 - 3.1-7.9 QD1 LEU 123 - HB3 LEU 49 far 5 92 5 - 4.1-8.6 QD1 LEU 62 - HB3 LEU 123 far 0 48 0 - 4.4-7.6 QD1 LEU 62 - HB3 LEU 49 far 0 100 0 - 4.6-8.6 QG1 VAL 118 - HB3 LEU 123 far 0 42 0 - 5.9-7.4 QD1 LEU 119 - HB3 LEU 123 far 0 23 0 - 6.2-7.7 QG1 VAL 118 - HB3 LEU 49 far 0 95 0 - 6.7-10.0 QD1 LEU 119 - HB3 LEU 49 far 0 60 0 - 7.2-11.5 QG2 VAL 63 - HB3 LEU 49 far 0 100 0 - 7.4-9.1 QD2 LEU 48 - HB3 LEU 123 far 0 47 0 - 8.2-10.6 QD1 LEU 48 - HB3 LEU 123 far 0 43 0 - 8.7-12.1 QG2 VAL 63 - HB3 LEU 123 far 0 48 0 - 8.8-11.0 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 13 assignments used, quality = 1.00: * H LEU 49 + HG LEU 49 OK 100 100 100 100 1.8-4.3 5.0=100 H VAL 126 + HG LEU 123 OK 22 70 35 91 5.7-7.5 7772/7765=65...(5) H LEU 69 - HG LEU 49 poor 20 100 20 - 5.1-8.3 H ALA 21 - HG2 ARG 23 poor 16 99 45 36 4.7-8.2 6176/10680=26...(4) H VAL 126 - HG LEU 49 far 10 96 10 - 5.7-8.8 H GLY 111 - HG LEU 103 far 2 39 5 - 5.8-11.8 H ALA 110 - HG LEU 103 far 0 39 0 - 6.2-12.6 H LEU 49 - HG LEU 123 far 0 78 0 - 6.4-10.4 H SER 99 - HG LEU 103 far 0 35 0 - 6.7-9.9 H ALA 28 - HG2 ARG 23 far 0 72 0 - 7.1-14.8 H GLY 17 - HG2 ARG 23 far 0 88 0 - 7.7-14.7 H LEU 43 - HG LEU 49 far 0 92 0 - 9.4-12.2 H TYR 72 - HG LEU 49 far 0 85 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (4.11, 1.57, 27.00 ppm; 5.78 A): 5 out of 13 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 100 100 2.2-3.7 3.7=100 HA LEU 48 + HG LEU 49 OK 90 100 90 100 5.0-7.2 3.6/6606=84, 3.8/9205=60...(27) HA CYS 45 + HG LEU 49 OK 71 92 80 97 4.7-7.4 9155/10992=70...(12) HA GLN 104 + HG LEU 103 OK 29 29 100 100 3.6-5.1 ~7491=70, ~11827=67...(22) HA LEU 49 + HG LEU 123 OK 23 78 35 83 5.1-9.8 4.8/10708=25...(16) HA GLN 101 - HG LEU 103 far 6 39 15 - 3.5-7.9 HA ILE 32 - HG2 ARG 23 far 5 100 5 - 6.4-22.3 HA ALA 52 - HG LEU 49 far 0 71 0 - 6.7-8.3 HA LEU 98 - HG LEU 103 far 0 39 0 - 7.3-11.4 HA ALA 52 - HG LEU 123 far 0 48 0 - 7.5-11.1 HA LEU 48 - HG LEU 123 far 0 77 0 - 8.4-12.3 HA3 GLY 114 - HG LEU 123 far 0 63 0 - 8.7-15.6 HA3 GLY 114 - HG LEU 103 far 0 30 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (1.50, 1.57, 27.00 ppm; 4.35 A): 4 out of 11 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 52 + HG LEU 49 OK 67 87 85 91 3.7-5.5 9247/6606=32...(13) HB2 LEU 53 + HG LEU 123 OK 42 50 95 89 2.2-6.2 ~11422=41, ~11639=33...(13) HG LEU 69 + HG LEU 49 OK 21 89 25 96 4.6-7.5 ~11048=36, 11036/2.1=35...(17) HB2 LEU 49 - HG LEU 123 poor 16 78 20 - 4.3-9.0 QB ALA 52 - HG LEU 123 far 3 61 5 - 5.1-9.1 HB2 LEU 53 - HG LEU 49 far 0 73 0 - 5.4-10.1 HG LEU 42 - HG LEU 49 far 0 97 0 - 8.0-10.6 QB ALA 52 - HG LEU 103 far 0 29 0 - 8.1-10.4 HB2 LEU 53 - HG LEU 103 far 0 23 0 - 8.5-13.5 HB2 LEU 49 - HG LEU 103 far 0 39 0 - 9.3-13.8 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 12 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 48 + HG LEU 49 OK 59 78 80 94 2.9-8.2 3.1/9205=41, 4.6/6606=41...(18) HB3 LEU 123 + HG LEU 123 OK 34 34 100 100 2.2-3.0 3.0=100 HG LEU 53 + HG LEU 123 OK 32 57 60 92 2.0-6.8 ~11422=55, ~11639=42...(11) HG LEU 53 + HG LEU 49 OK 31 83 40 94 3.3-9.1 1575/2.1=20, ~1552=17...(26) HB3 LEU 49 - HG LEU 123 poor 16 78 20 - 3.9-10.0 HB3 LEU 123 - HG LEU 49 far 5 53 10 - 4.9-9.1 HG LEU 53 - HG LEU 103 far 0 27 0 - 7.7-15.3 HB2 PRO 113 - HG LEU 103 far 0 38 0 - 7.9-15.2 HG2 PRO 113 - HG LEU 103 far 0 31 0 - 9.1-16.4 HB3 LEU 49 - HG LEU 103 far 0 39 0 - 9.2-12.8 HB3 LEU 48 - HG LEU 123 far 0 54 0 - 9.3-14.0 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): 3 out of 29 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 53 + HG LEU 123 OK 56 77 85 85 2.0-4.6 11422/2.1=59...(13) QD1 LEU 103 + HG LEU 103 OK 32 32 100 100 2.1-2.1 2.1=100 QD1 LEU 53 - HG LEU 49 poor 20 100 20 - 1.8-7.5 QD2 LEU 119 - HG LEU 103 poor 12 39 30 - 2.7-7.8 QD1 LEU 122 - HG LEU 49 far 5 97 5 - 3.7-6.9 QG1 VAL 63 - HG LEU 103 far 3 33 10 - 3.8-5.8 QD2 LEU 122 - HG LEU 103 far 2 36 5 - 2.8-7.7 QD1 LEU 122 - HG LEU 103 far 2 36 5 - 3.9-7.4 QD2 LEU 122 - HG LEU 49 far 0 97 0 - 4.4-8.3 QD1 LEU 122 - HG LEU 123 far 0 72 0 - 4.6-8.0 QD1 LEU 96 - HG LEU 49 far 0 71 0 - 4.9-7.2 QD2 LEU 122 - HG LEU 123 far 0 72 0 - 5.1-8.5 QD2 LEU 49 - HG LEU 123 far 0 78 0 - 5.3-8.1 QD1 ILE 32 - HG2 ARG 23 far 0 82 0 - 6.0-17.9 QD2 LEU 119 - HG LEU 123 far 0 77 0 - 6.3-8.8 QD2 LEU 49 - HG LEU 103 far 0 39 0 - 6.5-9.4 QD1 LEU 96 - HG LEU 103 far 0 22 0 - 6.6-9.5 QD1 LEU 53 - HG LEU 103 far 0 39 0 - 6.7-12.7 QD2 LEU 119 - HG LEU 49 far 0 100 0 - 6.9-10.5 QD1 LEU 96 - HG LEU 123 far 0 48 0 - 7.1-9.4 QD1 LEU 70 - HG LEU 103 far 0 25 0 - 7.3-12.5 QD1 LEU 103 - HG LEU 123 far 0 66 0 - 7.4-11.8 QG1 VAL 63 - HG LEU 49 far 0 93 0 - 7.6-10.2 QD1 LEU 103 - HG LEU 49 far 0 92 0 - 7.8-10.9 QG2 ILE 129 - HG LEU 49 far 0 71 0 - 8.0-9.6 QD1 LEU 70 - HG LEU 49 far 0 78 0 - 8.6-11.0 QG1 VAL 63 - HG2 ARG 23 far 0 92 0 - 9.1-30.6 QD1 ILE 32 - HG LEU 49 far 0 83 0 - 9.8-23.1 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 27 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 1.9-4.0 11822/2.1=31, 1584=27...(31) QG1 VAL 118 + HG LEU 103 OK 34 34 100 100 2.1-4.2 10261=44, ~10265=40...(25) QG2 VAL 20 + HG2 ARG 23 OK 27 79 50 68 2.8-6.6 6201/6205=15, ~10706=11...(15) QD2 LEU 48 - HG LEU 49 poor 20 100 20 - 4.0-5.5 QD2 LEU 123 - HG LEU 49 poor 19 63 30 - 3.8-8.3 QD1 LEU 48 - HG LEU 49 far 10 97 10 - 4.0-6.0 QD1 LEU 123 - HG LEU 49 far 9 92 10 - 4.1-8.0 QD1 LEU 22 - HG2 ARG 23 far 9 86 10 - 3.3-8.4 QD1 LEU 49 - HG LEU 123 far 8 78 10 - 4.1-8.8 QG1 VAL 20 - HG2 ARG 23 far 5 99 5 - 4.2-8.3 QD1 LEU 62 - HG LEU 103 far 2 39 5 - 2.8-6.1 QD1 LEU 62 - HG LEU 123 far 0 78 0 - 5.4-9.9 QD1 LEU 62 - HG LEU 49 far 0 100 0 - 5.5-8.7 QD1 LEU 49 - HG LEU 103 far 0 39 0 - 6.5-11.4 QD1 LEU 119 - HG LEU 123 far 0 40 0 - 7.1-8.9 QG2 VAL 63 - HG LEU 49 far 0 100 0 - 7.3-10.3 QG1 VAL 118 - HG LEU 49 far 0 95 0 - 7.3-10.4 QG2 VAL 112 - HG LEU 103 far 0 35 0 - 7.4-11.0 QD2 LEU 48 - HG LEU 123 far 0 77 0 - 7.8-11.3 QG1 VAL 118 - HG LEU 123 far 0 69 0 - 7.8-8.9 QD1 LEU 119 - HG LEU 49 far 0 60 0 - 8.2-11.4 QD1 LEU 48 - HG LEU 123 far 0 71 0 - 8.8-12.6 QD1 LEU 123 - HG LEU 103 far 0 32 0 - 9.5-13.3 QD1 LEU 48 - HG2 ARG 23 far 0 96 0 - 9.8-30.3 Violated in 0 structures by 0.00 A. Peak 1572 from cnoeabs.peaks (8.30, 0.80, 26.96 ppm; 4.17 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.9-4.3 2.9/1573=67, 6607=66...(30) H LEU 69 + QD2 LEU 49 OK 82 100 85 97 3.8-5.5 11056=40, 3.6/11700=31...(18) H VAL 126 + QD2 LEU 49 OK 59 96 70 88 4.0-6.3 4.0/11676=55...(13) H TYR 72 - QD2 LEU 49 far 0 85 0 - 7.2-9.4 H LEU 96 - QD2 LEU 49 far 0 63 0 - 7.2-9.8 H SER 99 - QD2 LEU 49 far 0 97 0 - 7.8-9.5 H LEU 43 - QD2 LEU 49 far 0 92 0 - 7.8-10.7 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 2.4-4.0 3.9=94, 1581/2.1=52...(16) HA CYS 45 - QD2 LEU 49 far 14 92 15 - 4.2-6.8 HA LEU 48 - QD2 LEU 49 far 0 100 0 - 5.8-7.0 HA ALA 52 - QD2 LEU 49 far 0 71 0 - 6.5-8.2 HA GLN 104 - QD2 LEU 49 far 0 87 0 - 8.4-12.1 HA GLN 101 - QD2 LEU 49 far 0 100 0 - 8.4-11.1 HA3 GLY 114 - QD2 LEU 49 far 0 89 0 - 9.1-17.3 HA LEU 98 - QD2 LEU 49 far 0 100 0 - 9.6-11.8 Violated in 5 structures by 0.03 A. Peak 1574 from cnoeabs.peaks (1.50, 0.80, 26.96 ppm; 3.50 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.0-3.1 3.2=100 HG LEU 69 + QD2 LEU 49 OK 66 89 80 93 2.2-7.1 2.1/11061=33, 11036=30...(22) QB ALA 52 + QD2 LEU 49 OK 20 87 30 77 3.7-5.4 9240/3.2=21...(13) HB2 LEU 53 - QD2 LEU 49 far 0 73 0 - 5.0-8.1 HG LEU 42 - QD2 LEU 49 far 0 97 0 - 5.9-9.3 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 1.9-2.7 3.2=100 HG LEU 53 + QD2 LEU 49 OK 33 83 45 88 3.3-8.1 1667=15, ~1552=13...(25) HB3 LEU 48 - QD2 LEU 49 poor 20 78 25 - 4.3-7.5 HB3 LEU 123 - QD2 LEU 49 poor 11 53 20 - 4.3-7.2 HB3 LYS 95 - QD2 LEU 49 far 0 73 0 - 8.9-11.2 HB2 LYS 95 - QD2 LEU 49 far 0 81 0 - 9.2-11.5 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 HG LEU 123 - QD2 LEU 49 far 0 100 0 - 5.3-8.1 HB2 LEU 119 - QD2 LEU 49 far 0 65 0 - 5.6-8.6 HB2 LEU 103 - QD2 LEU 49 far 0 100 0 - 6.5-10.2 HG LEU 103 - QD2 LEU 49 far 0 90 0 - 6.5-9.4 HB3 LEU 42 - QD2 LEU 49 far 0 63 0 - 7.9-11.0 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 QD2 LEU 123 - QD2 LEU 49 poor 16 63 25 - 2.9-6.5 QD1 LEU 62 - QD2 LEU 49 far 0 100 0 - 3.8-7.0 QD1 LEU 48 - QD2 LEU 49 far 0 97 0 - 3.9-6.5 QD2 LEU 48 - QD2 LEU 49 far 0 100 0 - 4.4-5.8 QD1 LEU 123 - QD2 LEU 49 far 0 92 0 - 4.6-7.1 QG1 VAL 118 - QD2 LEU 49 far 0 95 0 - 5.1-7.6 QG2 VAL 63 - QD2 LEU 49 far 0 100 0 - 5.2-7.4 QD1 LEU 119 - QD2 LEU 49 far 0 60 0 - 6.3-9.4 QG2 ILE 37 - QD2 LEU 49 far 0 76 0 - 8.5-10.4 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 3.9-5.0 6619/3.2=81, 3.6/1573=75...(33) H HIS 67 + QD2 LEU 49 OK 92 100 95 97 4.4-6.1 3.6/9208=38, 3.6/9208=38...(15) H SER 60 - QD2 LEU 49 far 0 99 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (8.30, 0.91, 23.35 ppm; 4.11 A): 3 out of 17 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.8-4.1 4.7=67, 6606/2.1=63...(31) H LEU 69 + QD1 LEU 49 OK 48 100 65 73 3.0-7.2 11056/2.1=37...(13) H VAL 126 + QD1 LEU 123 OK 26 47 80 70 4.3-5.8 7772/7767=35...(6) H VAL 126 - QD1 LEU 49 poor 15 96 35 46 3.9-6.5 1572/2.1=17, ~11227=11...(6) H LEU 49 - QD1 LEU 123 far 0 53 0 - 5.8-8.6 H GLY 111 - QG2 VAL 63 far 0 58 0 - 5.9-9.9 H ALA 110 - QG2 VAL 63 far 0 58 0 - 6.6-10.6 H TYR 72 - QD1 LEU 49 far 0 85 0 - 6.6-10.3 H LEU 43 - QD1 LEU 49 far 0 92 0 - 7.6-10.9 H SER 99 - QG2 VAL 63 far 0 53 0 - 8.0-9.3 H LEU 96 - QD1 LEU 49 far 0 63 0 - 8.1-9.8 H LEU 69 - QG2 VAL 63 far 0 58 0 - 8.2-9.2 H SER 99 - QD1 LEU 49 far 0 97 0 - 8.5-10.5 H LEU 96 - QD1 LEU 123 far 0 27 0 - 9.2-10.6 H LEU 49 - QG2 VAL 63 far 0 58 0 - 9.5-11.3 H SER 99 - QD1 LEU 123 far 0 48 0 - 9.7-11.3 H LEU 69 - QD1 LEU 123 far 0 52 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (4.11, 0.91, 23.35 ppm; 3.45 A): 3 out of 18 assignments used, quality = 0.99: * HA LEU 49 + QD1 LEU 49 OK 98 100 100 98 2.0-4.0 4.1=61, 1573/2.1=57...(20) HA GLN 104 + QG2 VAL 63 OK 44 45 100 99 1.9-3.7 3.9/11521=40...(21) HA CYS 45 + QD1 LEU 49 OK 34 92 50 74 3.8-6.8 9164=24, 4.8/9209=18...(13) HA GLN 101 - QG2 VAL 63 far 6 58 10 - 4.2-6.8 HA LEU 48 - QD1 LEU 49 far 0 100 0 - 4.5-6.2 HA ALA 52 - QD1 LEU 49 far 0 71 0 - 5.3-8.5 HA LEU 49 - QD1 LEU 123 far 0 53 0 - 5.5-8.1 HA LEU 48 - QD1 LEU 123 far 0 53 0 - 7.2-9.6 HA ALA 52 - QD1 LEU 123 far 0 31 0 - 7.5-8.7 HA LEU 49 - QG2 VAL 63 far 0 58 0 - 8.1-9.5 HA LEU 98 - QG2 VAL 63 far 0 58 0 - 8.5-10.4 HA3 GLY 114 - QD1 LEU 123 far 0 42 0 - 9.1-14.5 HA CYS 45 - QD1 LEU 123 far 0 44 0 - 9.4-11.3 HA GLN 101 - QD1 LEU 49 far 0 100 0 - 9.4-12.5 HA3 GLY 114 - QG2 VAL 63 far 0 46 0 - 9.5-14.9 HA3 GLY 114 - QD1 LEU 49 far 0 89 0 - 9.5-15.8 HA GLN 104 - QD1 LEU 49 far 0 87 0 - 9.5-13.2 HA ALA 52 - QG2 VAL 63 far 0 34 0 - 9.7-11.1 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 13 assignments used, quality = 1.00: * HB2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 69 + QD1 LEU 49 OK 47 89 65 82 2.3-5.9 11036/2.1=24, ~11061=20...(20) HB2 LEU 53 - QD1 LEU 123 poor 19 32 60 - 2.9-5.6 QB ALA 52 - QD1 LEU 49 far 9 87 10 - 3.0-5.7 HB2 LEU 49 - QD1 LEU 123 far 8 53 15 - 3.9-7.7 HB2 LEU 53 - QD1 LEU 49 far 0 73 0 - 4.3-8.8 QB ALA 52 - QD1 LEU 123 far 0 40 0 - 5.6-7.5 HG LEU 42 - QD1 LEU 49 far 0 97 0 - 6.0-9.9 QB ALA 52 - QG2 VAL 63 far 0 45 0 - 6.7-7.8 HG LEU 69 - QD1 LEU 123 far 0 42 0 - 7.1-10.1 HB2 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.3-10.2 HB2 LEU 53 - QG2 VAL 63 far 0 36 0 - 8.9-12.3 HG LEU 69 - QG2 VAL 63 far 0 46 0 - 9.4-11.5 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 19 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 LEU 48 + QD1 LEU 49 OK 43 78 60 92 2.6-6.6 ~9205=24, 4.6/1580=22...(22) HG LEU 53 + QD1 LEU 49 OK 30 83 40 91 2.0-8.2 1575/2.1=19, ~1552=15...(23) HG LEU 53 + QD1 LEU 123 OK 27 38 75 94 3.2-6.1 ~11422=52, ~11639=40...(16) HB3 LEU 123 + QD1 LEU 123 OK 22 22 100 100 2.4-3.2 3.2=100 HB3 LEU 49 - QD1 LEU 123 poor 18 53 45 76 4.1-8.6 1.8/1553=17, 1562=15...(24) HB3 LEU 123 - QD1 LEU 49 poor 16 53 40 74 3.1-7.9 3.0/9209=14, ~9206=13...(26) HG LEU 53 - QG2 VAL 63 far 0 42 0 - 7.3-12.9 HB3 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.4-9.1 HB3 LEU 48 - QD1 LEU 123 far 0 35 0 - 8.0-10.6 HB2 MET 11 - QG2 VAL 63 far 0 56 0 - 8.1-41.1 HB2 PRO 113 - QG2 VAL 63 far 0 57 0 - 8.2-13.6 HB3 LEU 123 - QG2 VAL 63 far 0 25 0 - 8.8-11.0 HG2 PRO 113 - QG2 VAL 63 far 0 47 0 - 9.2-14.7 HB2 LYS 95 - QD1 LEU 123 far 0 36 0 - 9.3-11.3 HB3 LYS 95 - QD1 LEU 123 far 0 32 0 - 9.3-11.0 HB2 LYS 95 - QD1 LEU 49 far 0 81 0 - 9.4-11.9 HB3 LYS 95 - QD1 LEU 49 far 0 73 0 - 9.6-11.6 HB3 LEU 48 - QG2 VAL 63 far 0 39 0 - 9.9-12.8 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 15 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 46 47 100 96 1.9-4.0 2.1/11822=31, 3942=27...(30) HB2 LEU 103 + QG2 VAL 63 OK 36 57 65 96 3.4-5.4 11509/3.2=24...(29) HG LEU 123 - QD1 LEU 49 far 10 100 10 - 4.1-8.8 HG LEU 49 - QD1 LEU 123 far 5 53 10 - 4.1-8.0 HB2 LEU 119 - QD1 LEU 49 far 0 65 0 - 5.9-10.3 HB2 LEU 119 - QD1 LEU 123 far 0 28 0 - 6.4-7.8 HG LEU 103 - QD1 LEU 49 far 0 90 0 - 6.5-11.4 HB2 LEU 119 - QG2 VAL 63 far 0 31 0 - 6.5-9.2 HG LEU 49 - QG2 VAL 63 far 0 58 0 - 7.3-10.3 HB2 LEU 103 - QD1 LEU 49 far 0 100 0 - 7.4-10.8 HB3 LEU 42 - QD1 LEU 49 far 0 63 0 - 8.0-12.0 HG LEU 103 - QD1 LEU 123 far 0 43 0 - 9.5-13.3 HB2 LEU 22 - QG2 VAL 63 far 0 30 0 - 10.0-35.3 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 30 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 27 53 65 79 1.8-4.5 11422/2.1=44...(18) QD1 LEU 103 - QG2 VAL 63 poor 20 49 50 82 1.7-4.0 2.1/11822=20...(26) QD1 LEU 53 - QD1 LEU 49 poor 19 100 40 48 1.9-7.2 1674/3.2=10, 1552/3.2=10...(13) QD2 LEU 122 - QD1 LEU 49 far 15 97 15 - 2.4-6.6 QD1 LEU 122 - QD1 LEU 49 lone 3 97 30 11 2.4-5.9 1561/3.2=3, 1552/3.2=2...(4) QD1 LEU 96 - QD1 LEU 49 far 0 71 0 - 3.5-5.4 QD1 LEU 122 - QG2 VAL 63 far 0 54 0 - 3.8-6.0 QD1 LEU 122 - QD1 LEU 123 far 0 49 0 - 3.9-7.4 QD2 LEU 122 - QG2 VAL 63 far 0 54 0 - 4.1-6.8 QD2 LEU 119 - QG2 VAL 63 far 0 58 0 - 4.2-8.0 QD2 LEU 122 - QD1 LEU 123 far 0 49 0 - 4.5-7.1 QD2 LEU 49 - QD1 LEU 123 far 0 53 0 - 4.6-7.1 QD2 LEU 49 - QG2 VAL 63 far 0 58 0 - 5.2-7.4 QD1 LEU 96 - QD1 LEU 123 far 0 31 0 - 5.6-7.7 QD2 LEU 119 - QD1 LEU 49 far 0 100 0 - 5.8-9.2 QG2 ILE 129 - QD1 LEU 49 far 0 71 0 - 6.0-8.4 QD1 LEU 53 - QG2 VAL 63 far 0 58 0 - 6.0-10.7 QD1 LEU 103 - QD1 LEU 49 far 0 92 0 - 6.1-8.8 QD1 LEU 70 - QG2 VAL 63 far 0 39 0 - 6.1-9.5 QD1 LEU 96 - QG2 VAL 63 far 0 34 0 - 6.3-7.5 QD2 LEU 119 - QD1 LEU 123 far 0 52 0 - 6.3-8.0 QD1 LEU 70 - QD1 LEU 49 far 0 78 0 - 6.6-8.9 QG1 VAL 63 - QD1 LEU 49 far 0 93 0 - 6.6-9.0 QD1 LEU 103 - QD1 LEU 123 far 0 44 0 - 7.4-10.4 QD1 ILE 32 - QD1 LEU 49 far 0 83 0 - 7.5-19.6 QG2 ILE 129 - QD1 LEU 123 far 0 31 0 - 7.9-9.4 QD1 ILE 37 - QD1 LEU 49 far 0 87 0 - 8.6-12.5 QD1 ILE 32 - QG2 VAL 63 far 0 42 0 - 9.7-20.9 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): 5 out of 6 assignments used, quality = 1.00: * H SER 50 + QD1 LEU 49 OK 100 100 100 100 2.2-4.3 6619/3.2=79, 6620/2.1=60...(32) H SER 60 + QG2 VAL 63 OK 56 56 100 100 3.7-4.8 ~10978=56, ~2020=55...(20) H HIS 67 + QG2 VAL 63 OK 50 58 90 95 4.8-5.8 9460/2.1=47...(7) H SER 50 + QD1 LEU 123 OK 47 53 90 99 3.7-6.4 ~11636=57, ~10349=44...(23) H HIS 67 + QD1 LEU 49 OK 43 100 50 87 4.9-8.4 3.6/9210=38, 1579/2.1=36...(7) H SER 60 - QD1 LEU 49 far 0 99 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 1588 from cnoeabs.peaks (8.66, 4.00, 62.52 ppm; 3.98 A): 2 out of 2 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 OK 31 71 50 88 4.7-5.8 ~1616=40, 6645/4.6=30...(12) 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 11 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 100 100 2.2-2.9 3.0=100 HA LEU 123 + HA SER 50 OK 28 97 35 83 3.2-5.5 4.0/11772=43...(7) HB2 SER 50 - HB3 SER 51 far 4 71 5 - 4.1-7.0 HA LEU 123 - HB2 SER 124 far 0 97 0 - 6.0-6.6 HA LEU 62 - HA SER 50 far 0 99 0 - 7.6-9.4 HA VAL 118 - HB2 SER 124 far 0 78 0 - 8.1-9.9 HA LEU 123 - HB3 SER 51 far 0 66 0 - 8.3-10.7 HB2 SER 50 - HB2 SER 124 far 0 100 0 - 8.6-11.0 HB2 SER 130 - HA SER 50 far 0 90 0 - 8.6-10.9 HA LEU 62 - HB3 SER 51 far 0 68 0 - 8.8-10.7 HB3 SER 33 - HA VAL 20 far 0 85 0 - 9.8-23.3 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (3.89, 4.00, 62.52 ppm; 3.91 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 50 + HB3 SER 51 OK 20 71 50 57 3.9-6.3 1607/3.8=28, 1604=13...(6) HA ALA 46 - HA SER 50 far 0 99 0 - 5.9-7.9 HA3 GLY 75 - HA VAL 20 far 0 83 0 - 7.6-30.4 HB2 SER 33 - HA VAL 20 far 0 67 0 - 8.3-23.6 HA ALA 46 - HB3 SER 51 far 0 69 0 - 8.6-10.1 HB3 SER 50 - HB2 SER 124 far 0 100 0 - 9.5-12.0 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 3.5-3.5 3.6=100 H SER 51 + HB3 SER 51 OK 71 71 100 100 2.1-3.1 3.8=100 H THR 18 - HA VAL 20 far 0 89 0 - 6.2-7.5 H ILE 129 - HB2 SER 124 far 0 84 0 - 7.7-8.2 H ILE 129 - HA SER 50 far 0 85 0 - 9.3-11.1 H LYS 36 - HA VAL 20 far 0 88 0 - 9.4-25.8 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 3.8-5.9 1.8/1653=99, 3.1/9218=96...(12) HB2 LEU 49 + HA SER 50 OK 73 73 100 100 3.9-5.6 ~6619=83, 6618/2.9=48...(32) HB2 LEU 22 + HA VAL 20 OK 64 67 100 95 4.8-6.8 4.0/10724=79...(4) HB2 LEU 49 - HB3 SER 51 far 2 45 5 - 6.9-7.9 HB2 LEU 119 - HA SER 50 far 0 73 0 - 7.3-9.3 HG LEU 69 - HA SER 50 far 0 99 0 - 7.8-11.9 HB2 LEU 53 - HB3 SER 51 far 0 71 0 - 8.3-9.4 HB2 LEU 53 - HB2 SER 124 far 0 100 0 - 8.4-10.1 HB2 LEU 49 - HB2 SER 124 far 0 73 0 - 9.3-12.5 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 12 assignments used, quality = 1.00: * HB3 LEU 53 + HA SER 50 OK 99 100 100 99 2.2-4.7 1653=65, 3.1/9218=64...(12) HB VAL 20 + HA VAL 20 OK 92 92 100 100 2.3-3.0 3.0=100 HB3 MET 11 - HA VAL 20 far 0 52 0 - 6.6-22.1 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.6-8.2 HB2 GLU 55 - HB3 SER 51 far 0 71 0 - 7.0-8.8 HB3 GLU 30 - HA VAL 20 far 0 60 0 - 7.2-18.7 HB2 GLN 27 - HA VAL 20 far 0 52 0 - 8.4-15.4 HB2 GLU 55 - HA SER 50 far 0 100 0 - 8.9-10.6 HB3 LEU 53 - HB2 SER 124 far 0 100 0 - 9.0-10.8 HB3 PRO 117 - HB2 SER 124 far 0 91 0 - 9.1-11.2 HB ILE 129 - HA SER 50 far 0 98 0 - 9.2-11.4 HB ILE 129 - HB2 SER 124 far 0 98 0 - 9.4-10.8 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 2.5-4.7 1469=100, 1602/1.8=82...(7) HA ASP 47 + HB2 SER 130 OK 34 73 65 72 5.0-6.5 10901/11718=28...(8) HA GLN 134 - HB2 SER 130 far 0 67 0 - 6.2-9.0 HA LEU 69 - HB2 SER 130 far 0 65 0 - 7.6-11.0 HA CYS 125 - HB2 SER 130 far 0 65 0 - 8.7-10.9 HA CYS 125 - HB2 SER 50 far 0 96 0 - 9.1-11.5 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 3 assignments used, quality = 1.00: * H SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-3.5 3.9=100 H SER 50 - HB2 SER 130 far 0 73 0 - 7.5-9.1 H LYS 39 - HB2 SER 130 far 0 40 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 1598 from cnoeabs.peaks (4.00, 3.84, 62.56 ppm; 3.35 A): 1 out of 8 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLN 127 - HB2 SER 130 far 6 40 15 - 3.1-5.7 HB3 SER 51 - HB2 SER 50 far 5 92 5 - 4.1-7.0 HA GLN 127 - HB2 SER 50 far 3 65 5 - 3.9-6.3 HB2 SER 124 - HB2 SER 50 far 0 100 0 - 8.6-11.0 HA SER 50 - HB2 SER 130 far 0 73 0 - 8.6-10.9 HA ARG 135 - HB2 SER 130 far 0 51 0 - 8.8-11.0 HA LEU 119 - HB2 SER 50 far 0 60 0 - 9.4-11.5 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 6 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 4 70 5 - 4.7-7.2 HA ALA 46 - HB2 SER 50 far 0 99 0 - 5.1-7.7 HB3 SER 50 - HB2 SER 130 far 0 73 0 - 6.8-10.0 HA ALA 41 - HB2 SER 130 far 0 51 0 - 8.2-11.4 HA LEU 70 - HB2 SER 130 far 0 70 0 - 9.9-13.0 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 2.8-4.3 4.7=81, 1607/1.8=51...(12) H ILE 129 - HB2 SER 130 far 5 55 10 - 4.8-6.5 H ILE 129 - HB2 SER 50 far 0 85 0 - 7.6-10.9 H SER 51 - HB2 SER 130 far 0 73 0 - 9.7-11.4 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 2 assignments used, quality = 0.99: * HA ASP 47 + HB3 SER 50 OK 99 100 100 99 2.1-4.1 1469/1.8=92, 1470=52...(7) HA CYS 125 - HB2 SER 94 far 0 66 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 1603 from cnoeabs.peaks (8.66, 3.89, 62.56 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H SER 50 + HB3 SER 50 OK 100 100 100 100 2.1-3.5 3.9=100 H PHE 89 - HB2 SER 94 far 0 41 0 - 8.8-9.9 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 9 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 94 + HB2 SER 94 OK 46 46 100 100 1.8-1.8 1.8=100 HA GLU 91 + HB2 SER 94 OK 29 60 75 63 3.8-5.0 2858=47, 2857/3.6=23, 7290/4.4=9 HB3 SER 51 + HB3 SER 50 OK 27 92 50 60 3.9-6.3 3.8/1607=28, 1591=17...(6) HA GLN 127 - HB3 SER 50 far 10 65 15 - 4.7-7.2 HA LYS 95 - HB2 SER 94 far 0 48 0 - 5.5-5.7 HB2 SER 124 - HB3 SER 50 far 0 100 0 - 9.5-12.0 HB3 SER 99 - HB2 SER 94 far 0 69 0 - 9.6-12.9 HA THR 65 - HB3 SER 50 far 0 68 0 - 9.9-12.4 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 0 97 0 - 5.1-7.6 HB2 SER 130 - HB3 SER 50 far 0 90 0 - 6.8-10.0 HA LEU 62 - HB3 SER 50 far 0 99 0 - 9.1-10.7 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 3 assignments used, quality = 0.99: * H SER 51 + HB3 SER 50 OK 97 100 100 97 2.6-4.1 1601/1.8=63, 4.7=59...(18) H SER 94 + HB2 SER 94 OK 70 70 100 100 2.2-2.9 3.6=100 H ILE 129 - HB3 SER 50 far 0 85 0 - 8.8-11.3 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 - 9.8-10.7 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 2.7-3.0 2.9=100 HA GLN 127 - HA SER 51 far 0 65 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 1611 from cnoeabs.peaks (3.98, 4.22, 61.16 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 51 + HA SER 51 OK 100 100 100 100 2.4-3.0 2.9=100 HA SER 50 + HA SER 51 OK 85 92 100 92 4.6-4.8 4.9=55, ~1601=25...(14) HA GLN 127 - HA SER 51 far 0 96 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 1612 from cnoeabs.peaks (8.03, 4.22, 61.16 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + HA SER 51 OK 100 100 100 100 3.4-3.6 3.6=100 H LEU 48 - HA SER 51 far 0 89 0 - 7.4-8.0 H VAL 57 - HA SER 51 far 0 78 0 - 9.8-10.7 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 3.2-4.0 6672=100, 4.0/1691=93...(5) HE22 GLN 61 - HA SER 51 far 0 97 0 - 8.3-11.1 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 4.1-5.4 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 = 0.98: * HA LEU 48 + HB2 SER 51 OK 94 100 95 99 2.9-5.1 1492=85, 1621/1.8=75...(6) HA ALA 52 + HB2 SER 51 OK 65 76 95 90 3.9-5.3 2.9/1620=61, 3.6/9219=46...(8) HA LEU 49 - HB2 SER 51 far 5 100 5 - 4.8-6.3 HA CYS 45 - HB2 SER 51 far 0 95 0 - 8.2-10.2 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 2.2-3.5 3.8=74, 3.1/1620=46...(10) H VAL 57 - HB2 SER 51 far 0 76 0 - 9.5-11.5 Violated in 1 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 2.7-3.0 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 - 5.6-6.6 HA THR 65 - HB2 SER 51 far 0 97 0 - 9.0-11.9 HA GLN 127 - HB2 SER 51 far 0 96 0 - 9.9-11.7 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 2.4-3.5 6649=80, 3.1/1616=61...(13) H LEU 48 - HB2 SER 51 far 0 89 0 - 5.5-7.6 H VAL 57 - HB2 SER 51 far 0 78 0 - 9.5-11.5 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 11 assignments used, quality = 0.99: * HA LEU 48 + HB3 SER 51 OK 99 100 100 99 2.9-4.3 1493=92, 1615/1.8=70...(7) HA LEU 49 - HA SER 50 poor 18 71 25 - 4.8-4.9 HA ALA 52 - HB3 SER 51 far 8 76 10 - 4.0-5.7 HA LEU 49 - HB3 SER 51 far 0 100 0 - 5.3-6.5 HA LEU 48 - HA SER 50 far 0 71 0 - 6.4-6.7 HA ALA 52 - HA SER 50 far 0 47 0 - 6.5-6.9 HA LEU 98 - HB3 SER 94 far 0 93 0 - 7.0-9.1 HA ILE 32 - HA VAL 20 far 0 74 0 - 8.0-19.4 HA CYS 45 - HB3 SER 51 far 0 95 0 - 8.2-9.7 HA PHE 89 - HB3 SER 94 far 0 65 0 - 8.3-10.3 HA CYS 45 - HA SER 50 far 0 63 0 - 9.0-10.1 Violated in 4 structures by 0.02 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 2.1-3.1 3.8=100 H SER 94 + HB3 SER 94 OK 90 90 100 100 2.2-3.6 3.6=100 H SER 51 + HA SER 50 OK 71 71 100 100 3.5-3.5 3.6=100 H THR 18 - HA VAL 20 far 0 68 0 - 6.2-7.5 H ILE 129 - HB2 SER 124 far 0 59 0 - 7.7-8.2 H ILE 129 - HA SER 50 far 0 54 0 - 9.3-11.1 H LYS 36 - HA VAL 20 far 0 66 0 - 9.4-25.8 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (4.22, 3.98, 62.66 ppm; 3.87 A): 4 out of 17 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 100 100 2.4-3.0 2.9=100 HA SER 94 + HB3 SER 94 OK 80 80 100 100 2.4-3.0 3.0=100 HA SER 51 + HA SER 50 OK 51 71 80 90 4.6-4.8 4.9=49, ~1601=23...(14) HA SER 124 + HB2 SER 124 OK 50 50 100 100 2.6-3.0 3.0=100 HA ALA 29 - HA VAL 20 far 3 66 5 - 4.5-17.9 HA ALA 28 - HA VAL 20 far 3 52 5 - 4.1-16.2 HB THR 18 - HA VAL 20 far 0 49 0 - 5.7-8.4 HA SER 124 - HA SER 50 far 0 45 0 - 6.4-7.7 HA GLU 128 - HB2 SER 124 far 0 57 0 - 6.9-8.3 HA ALA 34 - HA VAL 20 far 0 71 0 - 7.6-26.0 HB THR 25 - HA VAL 20 far 0 62 0 - 7.8-14.9 HA GLN 27 - HA VAL 20 far 0 41 0 - 8.1-15.6 HA ALA 88 - HB3 SER 94 far 0 84 0 - 8.1-10.3 HA GLU 30 - HA VAL 20 far 0 70 0 - 8.8-19.7 HA GLU 128 - HA SER 50 far 0 52 0 - 9.6-11.5 HA SER 99 - HB2 SER 124 far 0 78 0 - 9.7-12.1 HA SER 99 - HB3 SER 94 far 0 93 0 - 9.9-11.8 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 8 assignments used, quality = 1.00: * HB2 SER 51 + HB3 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 17 - HA VAL 20 far 0 56 0 - 5.4-8.9 HB2 SER 51 - HA SER 50 far 0 71 0 - 5.6-6.6 HA GLN 127 - HA SER 50 far 0 39 0 - 5.6-7.2 HA3 GLY 17 - HA VAL 20 far 0 56 0 - 6.3-10.0 HA GLN 127 - HB2 SER 124 far 0 44 0 - 7.5-8.4 HA GLN 127 - HB3 SER 51 far 0 65 0 - 9.3-11.1 HA THR 65 - HB3 SER 51 far 0 63 0 - 10.0-11.8 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 11 assignments used, quality = 1.00: * H ALA 52 + HB3 SER 51 OK 100 100 100 100 2.8-4.1 1620/1.8=87, 4.6=78...(16) H ALA 52 + HA SER 50 OK 70 71 100 98 4.1-4.8 6645/2.9=47, 6650=41...(17) H CYS 125 + HB2 SER 124 OK 65 66 100 99 2.6-3.6 4.5=83, 3.4/7769=61...(8) H LEU 48 - HB3 SER 51 far 0 89 0 - 5.3-6.8 H LEU 48 - HA SER 50 far 0 57 0 - 6.6-7.2 H CYS 125 - HA SER 50 far 0 60 0 - 7.6-8.9 H ILE 129 - HB2 SER 124 far 0 46 0 - 7.7-8.2 H ALA 16 - HA VAL 20 far 0 74 0 - 8.4-12.3 H SER 130 - HA SER 50 far 0 69 0 - 9.0-10.8 H ILE 129 - HA SER 50 far 0 41 0 - 9.3-11.1 H SER 130 - HB2 SER 124 far 0 75 0 - 9.8-10.6 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 - 5.9-6.8 H LEU 48 - HA ALA 52 far 0 89 0 - 8.5-9.4 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 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (7.71, 4.13, 54.53 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HA ALA 52 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1631 from cnoeabs.peaks (4.11, 1.48, 18.03 ppm; 3.60 A): 2 out of 5 assignments used, quality = 0.98: * HA LEU 49 + QB ALA 52 OK 93 100 100 93 2.1-3.4 2.9/9247=40, 1545=35...(17) 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 0 100 0 - 4.6-5.3 HA3 GLY 114 - QB ALA 52 far 0 89 0 - 6.6-15.4 HA CYS 45 - QB ALA 52 far 0 92 0 - 7.5-8.2 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 2.0-2.3 2.9=100 H VAL 57 - QB ALA 52 far 0 78 0 - 4.9-6.0 H LEU 48 - QB ALA 52 far 0 89 0 - 6.1-6.9 H CYS 125 - QB ALA 52 far 0 92 0 - 9.3-11.2 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 58 71 100 82 2.1-3.4 2.9/9247=33, 3.0/9240=25...(16) HA LEU 48 - QB ALA 52 far 0 76 0 - 4.6-5.3 HA3 GLY 114 - QB ALA 52 far 0 99 0 - 6.6-15.4 HA CYS 45 - QB ALA 52 far 0 97 0 - 7.5-8.2 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 2.3-3.1 3.7=100 H CYS 45 - QB ALA 52 far 0 65 0 - 9.6-10.3 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 2.3-2.7 3.0=100 HB2 LEU 119 + HA LEU 53 OK 59 73 95 84 2.2-5.4 3.1/11621=54...(13) HB2 LEU 49 - HA LEU 53 far 0 73 0 - 5.8-8.2 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 - 6.6-7.3 HB3 PRO 56 - HA LEU 53 far 0 99 0 - 8.6-9.4 HG2 PRO 56 - HA LEU 53 far 0 93 0 - 9.0-9.5 HG3 PRO 56 - HA LEU 53 far 0 93 0 - 9.1-10.0 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 2.6-4.3 4.3=100 HB3 LEU 49 - HA LEU 53 far 4 83 5 - 5.2-7.8 HB2 PRO 113 - HA LEU 53 far 0 68 0 - 6.0-11.6 HG2 PRO 113 - HA LEU 53 far 0 100 0 - 8.0-13.6 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 2.6-4.1 3.8=100 QD2 LEU 119 + HA LEU 53 OK 51 99 55 94 2.7-6.8 11621=87, 3.1/1638=22...(8) QD1 LEU 122 - HA LEU 53 far 14 95 15 - 4.7-8.1 QD2 LEU 49 - HA LEU 53 far 0 100 0 - 5.7-7.8 QD2 LEU 122 - HA LEU 53 far 0 99 0 - 5.9-10.2 QD1 LEU 103 - HA LEU 53 far 0 96 0 - 6.1-9.0 QD1 LEU 96 - HA LEU 53 far 0 78 0 - 8.2-12.4 QG1 VAL 63 - HA LEU 53 far 0 97 0 - 9.8-12.9 Violated in 2 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 1.9-3.3 1679=100, 2.1/1671=61...(14) QD1 LEU 119 - HA LEU 53 far 11 71 15 - 2.6-6.0 QG1 VAL 57 - HA LEU 53 far 0 87 0 - 5.7-6.5 QG2 VAL 126 - HA LEU 53 far 0 100 0 - 7.1-10.8 QG1 VAL 126 - HA LEU 53 far 0 97 0 - 7.6-9.9 QG1 VAL 112 - HA LEU 53 far 0 100 0 - 8.6-12.4 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 3.4-3.5 3.6=100 HE22 GLN 61 - HA LEU 53 far 15 97 15 - 5.6-10.1 H LEU 119 - HA LEU 53 far 10 99 10 - 5.6-8.5 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 3.8-5.9 1653/1.8=100...(12) HA LEU 119 + HB2 LEU 53 OK 57 60 95 100 3.6-7.8 11001/11809=77...(24) HA GLN 127 - HB2 LEU 53 far 0 65 0 - 8.2-11.4 HB3 SER 51 - HB2 LEU 53 far 0 92 0 - 8.3-9.4 HB2 SER 124 - HB2 LEU 53 far 0 100 0 - 8.4-10.1 HB3 SER 99 - HB2 LEU 53 far 0 98 0 - 8.6-12.6 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 2.8-3.6 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 2.3-2.7 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 3 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 - 8.4-9.2 HB3 PRO 117 - HB2 LEU 53 far 0 92 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.94, 1.52, 42.44 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 49 + HB2 LEU 53 OK 32 83 40 98 4.1-7.9 1674/3.1=31, 1658/1.8=30...(30) HB2 PRO 113 - HB2 LEU 53 far 0 68 0 - 6.9-13.0 HG2 PRO 113 - HB2 LEU 53 far 0 100 0 - 9.2-14.7 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (0.79, 1.52, 42.44 ppm; 4.02 A): 2 out of 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 OK 27 99 30 91 4.2-7.8 11621/3.0=58...(21) QD1 LEU 122 - HB2 LEU 53 poor 19 95 35 58 3.6-8.4 1659/1.8=13, 1683/3.1=10...(25) QD2 LEU 122 - HB2 LEU 53 far 5 99 5 - 4.7-10.2 QD2 LEU 49 - HB2 LEU 53 far 0 100 0 - 5.0-8.1 QD1 LEU 103 - HB2 LEU 53 far 0 96 0 - 6.5-9.9 QD1 LEU 96 - HB2 LEU 53 far 0 78 0 - 7.4-12.3 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 6 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.1-3.1 3.1=100 QD1 LEU 119 - HB2 LEU 53 far 7 71 10 - 3.5-6.7 QG2 VAL 126 - HB2 LEU 53 far 0 100 0 - 6.1-10.6 QG1 VAL 126 - HB2 LEU 53 far 0 97 0 - 6.3-9.6 QG1 VAL 57 - HB2 LEU 53 far 0 87 0 - 7.7-8.5 QG1 VAL 112 - HB2 LEU 53 far 0 100 0 - 9.3-13.4 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 3.3-4.4 4.6=100 H LEU 119 + HB2 LEU 53 OK 69 99 70 100 4.8-9.1 ~11845=82, ~11725=46...(18) HE22 GLN 61 - HB2 LEU 53 far 0 97 0 - 7.9-12.3 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 7 assignments used, quality = 1.00: * HA SER 50 + HB3 LEU 53 OK 100 100 100 100 2.2-4.7 9218/3.1=97, 1644/1.8=72...(12) HA LEU 119 + HB3 LEU 53 OK 48 60 80 99 3.4-8.9 11845/3.1=62...(22) HB3 SER 51 - HB3 LEU 53 lone 6 92 35 19 6.6-8.2 6657/6665=16, 1588/10979=2 HA GLN 127 - HB3 LEU 53 far 0 65 0 - 7.6-10.2 HB2 SER 124 - HB3 LEU 53 far 0 100 0 - 9.0-10.8 HB3 SER 99 - HB3 LEU 53 far 0 98 0 - 9.8-13.7 HA THR 65 - HB3 LEU 53 far 0 68 0 - 9.9-14.2 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 2.1-2.7 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 49 - HB3 LEU 53 poor 18 73 25 - 4.4-7.9 HB2 LEU 119 - HB3 LEU 53 far 11 73 15 - 2.7-7.7 HG LEU 69 - HB3 LEU 53 far 0 99 0 - 9.5-16.0 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 2.4-3.0 3.0=100 HB3 LEU 49 + HB3 LEU 53 OK 60 83 75 97 4.0-7.6 1674/3.1=30...(31) HB2 PRO 113 - HB3 LEU 53 far 0 68 0 - 8.2-14.2 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (0.79, 1.99, 42.44 ppm; 4.37 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.0-2.4 3.1=100 QD1 LEU 122 + HB3 LEU 53 OK 24 95 40 63 4.3-8.4 1667/3.0=12, 1683/3.1=11...(26) QD2 LEU 49 - HB3 LEU 53 far 15 100 15 - 4.9-8.1 QD2 LEU 119 - HB3 LEU 53 far 10 99 10 - 4.4-8.8 QD2 LEU 122 - HB3 LEU 53 far 10 99 10 - 4.7-10.6 QD1 LEU 103 - HB3 LEU 53 far 0 96 0 - 7.2-10.8 QD1 LEU 96 - HB3 LEU 53 far 0 78 0 - 7.6-12.6 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 2.7-3.2 3.1=100 QD1 LEU 119 - HB3 LEU 53 far 4 71 5 - 4.3-7.6 QG1 VAL 126 - HB3 LEU 53 far 0 97 0 - 5.6-9.4 QG2 VAL 126 - HB3 LEU 53 far 0 100 0 - 6.1-10.7 QG1 VAL 57 - HB3 LEU 53 far 0 87 0 - 7.4-8.2 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 2.6-4.0 4.6=100 H LEU 119 - HB3 LEU 53 far 10 99 10 - 5.5-10.5 HE22 GLN 61 - HB3 LEU 53 far 5 97 5 - 7.5-12.0 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 2.0-4.6 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 2.6-4.3 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 2.3-3.0 3.0=100 HB2 LEU 119 + HG LEU 53 OK 58 73 80 100 4.2-8.1 ~11845=65, 1680/2.1=37...(30) HB2 LEU 49 + HG LEU 53 OK 44 73 60 99 3.0-7.3 1672/2.1=33, ~1674=31...(25) HG LEU 69 - HG LEU 53 far 0 99 0 - 8.1-13.7 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 4 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 55 - HG LEU 53 far 0 100 0 - 8.0-10.5 HB VAL 63 - HG LEU 53 far 0 63 0 - 9.6-16.0 HB3 PRO 117 - HG LEU 53 far 0 92 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 1666 from cnoeabs.peaks (1.94, 1.94, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HG LEU 53 OK 100 100 - 100 Peak 1667 from cnoeabs.peaks (0.79, 1.94, 27.00 ppm; 4.11 A): 3 out of 9 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 41 100 45 91 3.3-8.1 1575=18, ~1552=15...(27) QD1 LEU 122 + HG LEU 53 OK 30 95 50 63 2.2-8.0 1683/2.1=12, 1659/3.0=11...(24) QD2 LEU 122 - HG LEU 53 poor 20 99 20 - 4.0-10.1 QD2 LEU 119 - HG LEU 53 far 5 99 5 - 4.9-9.2 QD1 LEU 103 - HG LEU 53 far 0 96 0 - 5.8-11.5 QD1 LEU 96 - HG LEU 53 far 0 78 0 - 6.0-12.1 QG1 VAL 63 - HG LEU 53 far 0 97 0 - 8.6-14.3 QD1 LEU 70 - HG LEU 53 far 0 71 0 - 10.0-16.6 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 - 4.9-10.1 QG1 VAL 126 - HG LEU 53 far 0 97 0 - 5.4-9.0 QD1 LEU 119 - HG LEU 53 far 0 71 0 - 5.5-8.2 QG1 VAL 57 - HG LEU 53 far 0 87 0 - 6.7-9.5 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (7.71, 0.79, 26.18 ppm; 4.29 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-3.7 6667=100, 6668/2.1=83...(22) H LEU 98 - QD2 LEU 122 poor 11 68 30 53 4.7-7.2 3.8/11382=24...(10) H LEU 53 - QD2 LEU 122 far 0 93 0 - 5.9-10.0 H LYS 95 - QD2 LEU 122 far 0 89 0 - 6.5-9.4 H CYS 45 - QD1 LEU 53 far 0 65 0 - 9.1-13.1 H LEU 98 - QD1 LEU 53 far 0 78 0 - 9.5-14.1 H CYS 45 - QD2 LEU 122 far 0 56 0 - 9.6-13.3 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 2.6-4.1 3.8=100 HA LEU 53 - QD2 LEU 122 far 0 93 0 - 5.9-10.2 HA GLU 128 - QD2 LEU 122 far 0 76 0 - 8.6-12.0 HA GLU 128 - QD1 LEU 53 far 0 87 0 - 8.6-10.9 HA VAL 105 - QD2 LEU 122 far 0 86 0 - 9.2-13.0 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 48 73 75 88 2.2-6.5 1.8/1674=26, 3.0/1541=20...(27) HB2 LEU 119 - QD1 LEU 53 far 11 73 15 - 3.3-7.0 HB2 LEU 49 - QD2 LEU 122 far 3 63 5 - 3.7-8.2 HB2 LEU 119 - QD2 LEU 122 far 3 63 5 - 4.3-7.6 HB2 LEU 53 - QD2 LEU 122 far 0 93 0 - 4.7-10.2 HG LEU 69 - QD2 LEU 122 far 0 91 0 - 4.9-8.1 HG LEU 69 - QD1 LEU 53 far 0 99 0 - 5.7-12.2 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 2.0-2.4 3.1=100 HB3 LEU 53 - QD2 LEU 122 far 0 93 0 - 4.7-10.6 HB VAL 63 - QD2 LEU 122 far 0 54 0 - 6.3-8.9 HB ILE 129 - QD2 LEU 122 far 0 89 0 - 6.6-10.8 HB2 GLU 55 - QD1 LEU 53 far 0 100 0 - 6.9-9.4 HB3 PRO 117 - QD2 LEU 122 far 0 82 0 - 7.0-10.2 HB ILE 129 - QD1 LEU 53 far 0 98 0 - 7.8-11.7 HB VAL 63 - QD1 LEU 53 far 0 63 0 - 8.0-13.2 HB3 PRO 117 - QD1 LEU 53 far 0 92 0 - 9.1-11.5 HG2 PRO 56 - QD1 LEU 53 far 0 93 0 - 9.4-11.6 HG3 PRO 56 - QD1 LEU 53 far 0 93 0 - 9.4-12.0 HB3 PRO 56 - QD1 LEU 53 far 0 99 0 - 9.6-11.6 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 12 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 56 83 75 90 1.8-6.1 1.8/1552=24, 3.0/1541=19...(30) HG LEU 53 - QD2 LEU 122 far 9 93 10 - 4.0-10.1 HB3 LEU 49 - QD2 LEU 122 far 7 72 10 - 3.7-8.0 HB3 LYS 95 - QD2 LEU 122 far 0 93 0 - 5.3-8.4 HB2 LYS 95 - QD2 LEU 122 far 0 93 0 - 5.8-9.0 HB2 PRO 113 - QD1 LEU 53 far 0 68 0 - 7.7-13.0 HB2 LYS 95 - QD1 LEU 53 far 0 100 0 - 9.2-13.1 HB2 PRO 58 - QD1 LEU 53 far 0 95 0 - 9.3-13.7 HB3 LYS 95 - QD1 LEU 53 far 0 100 0 - 9.3-12.7 HG2 PRO 113 - QD1 LEU 53 far 0 100 0 - 9.3-14.8 HB2 PRO 58 - QD2 LEU 122 far 0 85 0 - 9.4-12.7 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): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 126 + QD2 LEU 122 OK 39 93 55 77 1.8-4.9 11681=20, 10397/3.9=19...(17) QG1 VAL 126 - QD1 LEU 53 far 15 97 15 - 3.3-7.1 QD2 LEU 53 - QD2 LEU 122 poor 10 93 30 35 2.7-8.6 1683/2.1=7, 11749/5.1=5...(11) QG1 VAL 126 - QD2 LEU 122 far 9 88 10 - 3.3-6.7 QG2 VAL 126 - QD1 LEU 53 poor 6 100 25 24 2.9-7.8 11679/1674=8...(8) QD1 LEU 119 - QD2 LEU 122 far 0 61 0 - 4.2-8.1 QD1 LEU 119 - QD1 LEU 53 far 0 71 0 - 5.2-7.4 QG1 VAL 57 - QD1 LEU 53 far 0 87 0 - 5.8-8.1 QG1 VAL 105 - QD2 LEU 122 far 0 91 0 - 7.4-10.6 QG1 VAL 57 - QD2 LEU 122 far 0 76 0 - 8.1-10.7 QG1 VAL 112 - QD1 LEU 53 far 0 100 0 - 9.7-13.0 QG1 VAL 112 - QD2 LEU 122 far 0 93 0 - 10.0-13.5 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 1.9-4.9 4.6=100 H LEU 119 + QD2 LEU 122 OK 68 91 75 100 3.4-7.4 ~3764=60, ~3764=54...(40) H LEU 119 + QD1 LEU 53 OK 44 99 45 99 5.6-9.0 ~11845=80, ~11725=44...(13) HE22 GLN 61 - QD1 LEU 53 far 10 97 10 - 6.3-11.0 H THR 54 - QD2 LEU 122 far 0 93 0 - 7.2-11.9 HE22 GLN 61 - QD2 LEU 122 far 0 88 0 - 8.1-12.5 Violated in 0 structures by 0.00 A. Peak 1678 from cnoeabs.peaks (7.71, 0.97, 25.20 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 53 + QD2 LEU 53 OK 100 100 100 100 1.9-4.1 4.3=100 H LEU 98 - QD2 LEU 53 far 0 78 0 - 9.8-15.3 H CYS 45 - QD2 LEU 53 far 0 65 0 - 9.9-14.0 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 1.9-3.3 1642=100, 1671/2.1=65...(14) 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 2.1-3.1 3.1=100 HB2 LEU 119 + QD2 LEU 53 OK 59 73 90 90 1.9-6.6 2.9/11845=54...(24) HB2 LEU 49 - QD2 LEU 53 poor 15 73 20 - 3.2-7.2 HG LEU 69 - QD2 LEU 53 far 0 99 0 - 7.1-12.1 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 8 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.7-3.2 3.1=100 HB2 GLU 55 - QD2 LEU 53 far 0 100 0 - 7.2-8.4 HB VAL 63 - QD2 LEU 53 far 0 63 0 - 7.6-14.0 HB3 PRO 117 - QD2 LEU 53 far 0 92 0 - 7.7-10.7 HB3 PRO 56 - QD2 LEU 53 far 0 99 0 - 8.7-10.0 HG2 PRO 56 - QD2 LEU 53 far 0 93 0 - 9.0-10.2 HG3 PRO 56 - QD2 LEU 53 far 0 93 0 - 9.0-10.7 HB ILE 129 - QD2 LEU 53 far 0 98 0 - 9.7-12.8 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 6 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 39 83 50 93 2.0-8.0 1674/2.1=26, ~1552=17...(30) HB2 PRO 113 - QD2 LEU 53 far 0 68 0 - 5.9-11.0 HG2 PRO 113 - QD2 LEU 53 far 0 100 0 - 7.8-12.8 HB2 PRO 58 - QD2 LEU 53 far 0 95 0 - 8.8-13.5 HB3 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (0.79, 0.97, 25.20 ppm; 2.75 A): 3 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 37 99 55 69 2.8-7.5 3790/11845=30...(14) QD1 LEU 122 + QD2 LEU 53 OK 25 95 55 48 1.7-6.9 11702/11845=13...(13) QD2 LEU 49 - QD2 LEU 53 poor 18 100 30 60 2.7-7.7 3.2/1682=8, 1575/2.1=8...(23) QD2 LEU 122 - QD2 LEU 53 poor 11 99 30 36 2.7-8.6 3907/11818=7, 1676=6...(13) QD1 LEU 103 - QD2 LEU 53 far 0 96 0 - 3.7-9.5 QD1 LEU 96 - QD2 LEU 53 far 0 78 0 - 4.6-10.5 QG1 VAL 63 - QD2 LEU 53 far 0 97 0 - 6.9-12.5 QD1 LEU 70 - QD2 LEU 53 far 0 71 0 - 7.9-14.3 QG2 ILE 129 - QD2 LEU 53 far 0 63 0 - 9.3-12.1 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 2.8-4.9 4.6=100 H LEU 119 + QD2 LEU 53 OK 89 99 90 100 4.0-8.6 2.8/11845=96...(24) HE22 GLN 61 - QD2 LEU 53 poor 19 97 20 - 5.7-10.9 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 H LEU 119 - HA THR 54 far 0 99 0 - 8.8-13.0 HE22 GLN 61 - HA THR 54 far 0 97 0 - 9.4-13.2 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 2.4-2.6 1698=100, 6684/3.0=44...(6) QG2 THR 65 - HA THR 54 far 0 96 0 - 9.6-11.8 Violated in 0 structures by 0.00 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 2.9-3.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (4.22, 4.46, 69.33 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.86: * HA SER 51 + HB THR 54 OK 86 100 90 95 4.1-5.4 1614=91, 6672/4.0=41, ~9223=13 HA SER 124 - HB THR 54 far 0 73 0 - 9.7-13.9 Violated in 18 structures by 0.57 A. Peak 1692 from cnoeabs.peaks (7.55, 4.46, 69.33 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H THR 54 + HB THR 54 OK 100 100 100 100 3.6-3.7 4.0=100 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 2 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 - 7.5-12.0 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 1 assignment used, quality = 1.00: * QG2 THR 54 + HB THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (7.75, 4.46, 69.33 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 55 + HB THR 54 OK 99 100 100 99 4.4-4.6 4.6=87, 6690/2.1=80, 6687/4.0=68 Violated in 19 structures by 0.13 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 2.0-2.7 6684=100, 3.0/1698=64...(9) HE22 GLN 61 - QG2 THR 54 far 0 97 0 - 8.3-11.1 H LEU 119 - QG2 THR 54 far 0 99 0 - 8.4-11.6 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 2.4-2.6 3.2=100 HA ASN 120 - QG2 THR 54 far 0 100 0 - 5.2-8.7 HA THR 115 - QG2 THR 54 far 0 76 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (4.46, 1.24, 21.56 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + QG2 THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 HA ASN 121 - QG2 THR 54 far 0 73 0 - 8.9-12.3 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 4.0-4.3 6690=100, 6687/6684=74...(8) Violated in 7 structures by 0.01 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 2.4-2.7 3.0=100 HB3 PRO 56 + HA GLU 55 OK 96 97 100 99 5.5-5.7 3.0/1734=51, 3.0/1732=51...(25) HG2 PRO 56 + HA GLU 55 OK 88 89 100 99 4.4-4.6 2.3/1732=53, 2.3/1734=53...(20) HG3 PRO 56 + HA GLU 55 OK 88 89 100 99 4.4-4.6 2.3/1732=53, 2.3/1734=53...(19) HB3 LEU 53 - HA GLU 55 far 0 100 0 - 7.4-8.3 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 4 85 5 - 7.5-12.1 Violated in 0 structures by 0.00 A. Peak 1706 from cnoeabs.peaks (2.47, 4.76, 53.40 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HA GLU 55 OK 100 100 100 100 3.2-3.8 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 2.1-4.2 3.9=100 HG3 GLN 61 - HA GLU 55 far 0 89 0 - 9.0-10.7 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 3.7-4.0 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 2.4-2.7 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 3 assignments used, quality = 1.00: * HB3 GLU 55 + HB2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 113 - HB2 GLU 55 far 0 85 0 - 9.3-13.7 HG2 PRO 58 - HB2 GLU 55 far 0 92 0 - 9.6-10.4 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 2.5-3.0 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 2.3-3.0 3.0=100 HG3 GLN 61 - HB2 GLU 55 far 0 89 0 - 7.4-8.9 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 2.7-3.7 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 - 5.1-5.8 HG3 PRO 56 - HB3 GLU 55 far 0 89 0 - 5.6-6.6 HB3 LEU 53 - HB3 GLU 55 far 0 100 0 - 6.5-8.8 HB3 PRO 56 - HB3 GLU 55 far 0 97 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 1717 from cnoeabs.peaks (2.04, 2.04, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 55 + HB3 GLU 55 OK 100 100 - 100 Peak 1718 from cnoeabs.peaks (2.47, 2.04, 30.10 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1719 from cnoeabs.peaks (2.40, 2.04, 30.10 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 61 - HB3 GLU 55 far 0 89 0 - 6.9-9.8 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 2.2-4.2 6694=100, 6695/1.8=78...(9) Violated in 10 structures by 0.03 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 3.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (1.99, 2.47, 33.76 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 PRO 81 - HG3 GLN 82 poor 18 61 30 - 3.5-6.8 HB3 LEU 53 - HG2 GLU 55 far 0 100 0 - 5.6-9.0 HG2 PRO 56 - HG2 GLU 55 far 0 89 0 - 5.8-6.4 HG3 PRO 56 - HG2 GLU 55 far 0 89 0 - 6.6-7.2 HB3 PRO 56 - HG2 GLU 55 far 0 97 0 - 6.7-8.1 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 7 assignments used, quality = 1.00: * HB3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 81 - HG3 GLN 82 far 9 60 15 - 3.7-6.8 HG3 ARG 135 - HG3 GLN 82 far 0 60 0 - 6.0-10.4 HG2 PRO 58 - HG2 GLU 55 far 0 92 0 - 9.0-12.3 HB2 LEU 62 - HG2 GLU 55 far 0 92 0 - 9.1-13.2 HG2 ARG 90 - HG3 GLN 82 far 0 48 0 - 9.8-14.3 HB2 GLN 134 - HG3 GLN 82 far 0 45 0 - 10.0-13.9 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 - 6.3-10.7 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 2.8-4.3 6695=100, 6694/1.8=81...(9) H GLU 55 - HG3 GLN 61 far 0 67 0 - 7.2-9.4 HE22 GLN 68 - HG3 GLN 61 far 0 64 0 - 7.4-11.6 Violated in 10 structures by 0.04 A. Peak 1727 from cnoeabs.peaks (4.76, 2.40, 33.76 ppm; 6.51 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.1-4.2 3.9=100 HA GLU 55 - HG3 GLN 61 far 0 67 0 - 9.0-10.7 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 2.3-3.0 3.0=100 HG2 PRO 56 - HG3 GLU 55 far 0 89 0 - 4.7-6.9 HG3 PRO 56 - HG3 GLU 55 far 0 89 0 - 5.1-7.5 HB3 PRO 56 - HG3 GLU 55 far 0 97 0 - 5.6-8.1 HB3 LEU 53 - HG3 GLU 55 far 0 100 0 - 6.4-9.6 HB2 GLU 55 - HG3 GLN 61 far 0 67 0 - 7.4-8.9 HB3 LEU 53 - HG3 GLN 61 far 0 67 0 - 7.9-10.7 HB3 PRO 56 - HG3 GLN 61 far 0 62 0 - 8.6-10.3 HG2 PRO 56 - HG3 GLN 61 far 0 54 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (2.04, 2.40, 33.76 ppm; 3.87 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 PRO 58 + HG3 GLN 61 OK 46 57 90 90 1.9-4.9 ~10934=32, 2.3/10935=30...(13) HB2 LEU 62 - HG3 GLN 61 far 0 57 0 - 4.9-6.9 HB3 GLU 55 - HG3 GLN 61 far 0 67 0 - 6.9-9.8 HB VAL 63 - HG3 GLN 61 far 0 49 0 - 7.1-8.7 HG2 PRO 58 - HG3 GLU 55 far 0 92 0 - 8.2-12.4 HB2 LEU 62 - HG3 GLU 55 far 0 92 0 - 9.2-13.4 HG3 PRO 113 - HG3 GLU 55 far 0 85 0 - 9.3-14.6 QE MET 11 - HG3 GLN 61 far 0 67 0 - 9.8-41.6 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 - 6.3-10.7 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 2.3-2.5 3.8=100 HA GLU 55 + HD3 PRO 56 OK 96 96 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1733 from cnoeabs.peaks (3.66, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA GLU 55 OK 100 100 100 100 2.3-2.5 3.8=100 HD3 PRO 56 + HA GLU 55 OK 99 99 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1734 from cnoeabs.peaks (4.76, 3.65, 49.73 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HD3 PRO 56 OK 100 100 100 100 2.3-2.5 3.8=100 HA GLU 55 + HD2 PRO 56 OK 96 96 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1735 from cnoeabs.peaks (3.65, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HA GLU 55 OK 100 100 100 100 2.3-2.5 3.8=100 HD2 PRO 56 + HA GLU 55 OK 99 99 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (2.13, 3.66, 49.73 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.0-3.9 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 79 0 - 9.9-14.7 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 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 97 97 100 100 1.8-4.0 4.8=75, 6692/4.8=49...(27) HB3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 93 93 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 93 93 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 91 91 100 100 1.7-3.8 4.8=75, 6692/4.8=49...(26) HB3 LEU 53 - HD2 PRO 56 far 0 99 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1739 from cnoeabs.peaks (2.01, 3.66, 49.73 ppm; 4.36 A): 8 out of 10 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 93 93 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 1.8-4.0 4.8=75, 6692/4.8=44...(27) HB2 GLU 55 + HD3 PRO 56 OK 81 81 100 100 1.7-3.8 4.8=75, 6692/4.8=44...(26) HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 86 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (2.01, 3.66, 49.73 ppm; 4.36 A): 8 out of 10 assignments used, quality = 1.00: HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 93 93 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 1.8-4.0 4.8=75, 6692/4.8=44...(27) HB2 GLU 55 + HD3 PRO 56 OK 81 81 100 100 1.7-3.8 4.8=75, 6692/4.8=44...(26) HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 86 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (3.66, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 HD3 PRO 56 + HD3 PRO 56 OK 93 93 - 100 Peak 1742 from cnoeabs.peaks (3.65, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HD2 PRO 56 OK 99 99 - 100 HD3 PRO 56 + HD3 PRO 56 OK 96 96 - 100 Reference assignment not found: HD3 PRO 56 - HD2 PRO 56 Peak 1745 from cnoeabs.peaks (2.13, 3.65, 49.73 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 3.0-3.9 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 87 0 - 9.9-14.7 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 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 97 97 100 100 1.7-3.8 4.8=69, 6692/4.8=46...(26) HB3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 93 93 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 93 93 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 91 91 100 100 1.8-4.0 4.8=69, 6692/4.8=46...(27) HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 99 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1747 from cnoeabs.peaks (2.01, 3.65, 49.73 ppm; 4.26 A): 8 out of 10 assignments used, quality = 1.00: * HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 93 93 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 1.7-3.8 4.8=70, 6692/4.8=42...(26) HB2 GLU 55 + HD2 PRO 56 OK 81 81 100 100 1.8-4.0 4.8=70, 6692/4.8=42...(27) HB3 LEU 53 - HD2 PRO 56 far 0 86 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1748 from cnoeabs.peaks (2.01, 3.65, 49.73 ppm; 4.26 A): 8 out of 10 assignments used, quality = 1.00: HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 93 93 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 1.7-3.8 4.8=70, 6692/4.8=42...(26) HB2 GLU 55 + HD2 PRO 56 OK 81 81 100 100 1.8-4.0 4.8=70, 6692/4.8=42...(27) HB3 LEU 53 - HD2 PRO 56 far 0 86 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (3.66, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 99 99 - 100 HD2 PRO 56 + HD2 PRO 56 OK 96 96 - 100 Reference assignment not found: HD2 PRO 56 - HD3 PRO 56 Peak 1750 from cnoeabs.peaks (3.65, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 93 93 - 100 Peak 1752 from cnoeabs.peaks (4.67, 4.67, 62.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HA PRO 56 OK 100 100 - 100 Peak 1753 from cnoeabs.peaks (2.13, 4.67, 62.91 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 112 - HA PRO 56 lone 1 87 30 3 6.7-10.8 Violated in 0 structures by 0.00 A. Peak 1754 from cnoeabs.peaks (2.00, 4.67, 62.91 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HA PRO 56 OK 99 99 100 100 3.9-3.9 3.8=100 HG3 PRO 56 + HA PRO 56 OK 99 99 100 100 4.0-4.0 3.8=100 HB2 GLU 55 + HA PRO 56 OK 97 97 100 100 4.7-5.0 9315/10920=88...(7) HG2 PRO 58 - HA PRO 56 far 0 68 0 - 8.5-8.6 HB3 LEU 53 - HA PRO 56 far 0 99 0 - 8.6-9.5 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 2.7-2.7 2.3=100 HB2 GLU 55 + HA PRO 56 OK 87 89 100 98 4.7-5.0 9315/10920=73...(7) HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.5-8.6 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.6-9.5 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 2.7-2.7 2.3=100 HB2 GLU 55 + HA PRO 56 OK 87 89 100 98 4.7-5.0 9315/10920=73...(7) HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.5-8.6 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.6-9.5 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 3.6-4.1 3.6=100 HD3 PRO 56 + HA PRO 56 OK 99 99 100 100 3.6-4.1 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 3.6-4.1 3.6=100 HD2 PRO 56 + HA PRO 56 OK 99 99 100 100 3.6-4.1 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 2.3-2.3 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 HG3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 HB2 GLU 55 - HB2 PRO 56 far 0 97 0 - 5.3-5.7 HG2 PRO 58 - HB2 PRO 56 far 0 68 0 - 9.9-10.1 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: HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 89 0 - 5.3-5.7 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 9.9-10.1 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: * HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 89 0 - 5.3-5.7 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1765 from cnoeabs.peaks (3.66, 2.13, 29.23 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.0-3.9 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 3.0-3.9 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.0-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (8.01, 2.13, 29.23 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 57 + HB2 PRO 56 OK 100 100 100 100 4.1-4.3 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 1 assignment used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 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 2.4-3.0 3.0=100 HB VAL 112 - HB3 PRO 56 far 0 87 0 - 7.5-12.1 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 3.9-4.0 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 99 99 100 100 3.9-4.0 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 3.9-4.0 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 99 99 100 100 3.9-4.0 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 3 assignments used, quality = 1.00: * H VAL 57 + HB3 PRO 56 OK 100 100 100 100 3.7-3.9 3.9=100 H SER 94 - HB2 GLU 91 far 0 47 0 - 6.2-6.4 H ILE 129 - HB2 GLU 91 far 0 56 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 1776 from cnoeabs.peaks (4.67, 2.01, 27.58 ppm; 5.89 A): 2 out of 3 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 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 6 assignments used, quality = 1.00: HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 38 0 - 8.9-14.5 HB VAL 112 - HG3 PRO 56 far 0 87 0 - 9.6-13.6 HB VAL 112 - HG2 PRO 56 far 0 87 0 - 9.7-14.1 HB2 PRO 56 - HG2 PRO 58 far 0 51 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1778 from cnoeabs.peaks (2.00, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 99 99 - 100 HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG2 PRO 81 + HG2 PRO 81 OK 71 71 - 100 HG2 PRO 58 + HG2 PRO 58 OK 28 28 - 100 Reference assignment not found: HB3 PRO 56 - HG2 PRO 56 Peak 1779 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 * HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Peak 1780 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Reference assignment not found: HG3 PRO 56 - HG2 PRO 56 Peak 1781 from cnoeabs.peaks (3.66, 2.01, 27.58 ppm; 4.27 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.7 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 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.7 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 5 assignments used, quality = 1.00: * H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(8) H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(6) H VAL 57 + HG2 PRO 58 OK 41 51 100 81 6.5-6.6 ~1794=36, ~10921=32...(5) H ALA 52 - HG2 PRO 56 far 0 78 0 - 9.7-10.8 H ALA 52 - HG2 PRO 58 far 0 33 0 - 9.8-11.1 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 3 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 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 6 assignments used, quality = 1.00: * HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 38 0 - 8.9-14.5 HB VAL 112 - HG3 PRO 56 far 0 87 0 - 9.6-13.6 HB VAL 112 - HG2 PRO 56 far 0 87 0 - 9.7-14.1 HB2 PRO 56 - HG2 PRO 58 far 0 51 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1786 from cnoeabs.peaks (2.00, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 99 99 - 100 HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG2 PRO 81 + HG2 PRO 81 OK 71 71 - 100 HG2 PRO 58 + HG2 PRO 58 OK 28 28 - 100 Reference assignment not found: HB3 PRO 56 - HG3 PRO 56 Peak 1787 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Reference assignment not found: HG2 PRO 56 - HG3 PRO 56 Peak 1788 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Peak 1789 from cnoeabs.peaks (3.66, 2.01, 27.58 ppm; 4.27 A): 4 out of 4 assignments used, quality = 1.00: HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 * HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.7 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 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 * HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.7 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 5 assignments used, quality = 1.00: H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(8) * H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(6) H VAL 57 + HG2 PRO 58 OK 41 51 100 81 6.5-6.6 ~1794=36, ~10921=32...(5) H ALA 52 - HG2 PRO 56 far 0 78 0 - 9.7-10.8 H ALA 52 - HG2 PRO 58 far 0 33 0 - 9.8-11.1 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 - 8.9-9.6 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): 3 out of 6 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 100 100 2.7-2.7 3.0=100 HG3 PRO 58 + HA VAL 57 OK 86 87 100 99 4.5-4.6 ~9309=29, ~9308=29...(23) HB3 GLN 61 + HA VAL 57 OK 38 97 40 99 4.4-6.5 11310/3.2=33, 11288=25...(36) HB2 GLN 61 - HA VAL 57 far 0 99 0 - 4.8-6.2 HG3 PRO 113 - HA VAL 57 far 0 60 0 - 7.6-12.9 HB VAL 112 - HA VAL 57 far 0 63 0 - 7.8-12.9 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 2 assignments used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 100 100 3.1-3.1 3.2=100 QD2 LEU 123 - HA VAL 57 far 0 78 0 - 9.8-12.3 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 6 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 100 100 2.2-2.2 3.2=100 QD1 LEU 119 - HA VAL 57 far 0 99 0 - 5.8-9.1 QG2 VAL 112 - HA VAL 57 far 0 71 0 - 7.0-11.4 QD2 LEU 53 - HA VAL 57 far 0 87 0 - 7.3-10.3 QG1 VAL 112 - HA VAL 57 far 0 85 0 - 7.3-11.1 QD1 LEU 48 - HA VAL 57 far 0 71 0 - 9.2-11.5 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 3.6-3.7 4.0=100 H ALA 52 - HB VAL 57 far 0 78 0 - 7.2-7.8 H SER 51 - HB VAL 57 far 0 76 0 - 9.6-10.4 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 2.7-2.7 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 - 8.1-10.8 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 6 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 119 - HB VAL 57 far 0 99 0 - 5.2-8.2 QD2 LEU 53 - HB VAL 57 far 0 87 0 - 5.6-9.6 QD1 LEU 48 - HB VAL 57 far 0 71 0 - 7.3-9.8 QG2 VAL 112 - HB VAL 57 far 0 71 0 - 8.0-12.0 QG1 VAL 112 - HB VAL 57 far 0 85 0 - 8.4-11.8 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 = 1.00: * H VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.0-2.3 6706=94, 6707/2.1=53...(13) H ALA 52 - QG2 VAL 57 far 0 78 0 - 4.7-5.2 H SER 51 - QG2 VAL 57 far 0 76 0 - 6.6-7.3 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 3.1-3.1 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): 2 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 OK 60 97 65 96 3.2-4.2 3.0/10936=29, 11310=26...(29) HB2 GLN 61 - QG2 VAL 57 far 5 99 5 - 3.4-5.5 HG3 PRO 58 - QG2 VAL 57 far 0 87 0 - 5.8-6.0 HG3 PRO 113 - QG2 VAL 57 far 0 60 0 - 7.2-11.1 HB VAL 112 - QG2 VAL 57 far 0 63 0 - 7.2-10.8 HB VAL 126 - QG2 VAL 57 far 0 92 0 - 9.7-10.9 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 2.1-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 57 far 5 99 5 - 3.4-6.4 QD2 LEU 53 - QG2 VAL 57 far 0 87 0 - 3.5-6.4 QD1 LEU 48 - QG2 VAL 57 far 0 71 0 - 5.9-8.0 QG2 VAL 112 - QG2 VAL 57 far 0 71 0 - 6.7-9.9 QG1 VAL 112 - QG2 VAL 57 far 0 85 0 - 7.0-9.6 QD1 LEU 123 - QG2 VAL 57 far 0 81 0 - 7.1-8.4 QG2 VAL 126 - QG2 VAL 57 far 0 92 0 - 8.3-9.3 QG1 VAL 126 - QG2 VAL 57 far 0 99 0 - 8.6-9.7 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 3.6-3.7 6707=100, 1802/2.1=89...(13) H ALA 52 - QG1 VAL 57 far 0 78 0 - 5.4-6.3 H SER 51 - QG1 VAL 57 far 0 76 0 - 7.5-8.0 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 2.2-2.2 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): 3 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 95 97 100 99 3.2-4.0 3.0/9377=40...(32) HB2 GLN 61 + QG1 VAL 57 OK 83 99 85 99 3.2-4.3 3.0/9377=40...(37) HG3 PRO 58 - QG1 VAL 57 far 9 87 10 - 4.1-4.4 HG3 PRO 113 - QG1 VAL 57 far 0 60 0 - 8.1-12.5 HB VAL 112 - QG1 VAL 57 far 0 63 0 - 8.5-12.6 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 2.1-2.1 2.1=100 QD2 LEU 123 - QG1 VAL 57 far 0 78 0 - 7.1-9.4 QD2 LEU 69 - QG1 VAL 57 far 0 99 0 - 9.3-10.9 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 2.3-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (3.62, 4.59, 58.62 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HA VAL 57 OK 100 100 100 100 2.3-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1814 from cnoeabs.peaks (4.59, 3.82, 50.62 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HD3 PRO 58 OK 100 100 100 100 2.3-2.6 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 2.3-2.6 3.8=100 HA LEU 62 - HA VAL 57 far 0 68 0 - 7.8-9.2 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 3.6-4.1 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HG2 PRO 113 - HD2 PRO 58 far 0 89 0 - 7.5-14.0 HG LEU 53 - HD2 PRO 58 far 0 95 0 - 9.1-13.4 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 3.0-3.9 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 95 100 95 100 3.0-6.3 10935=98, 10937/9309=80...(16) HG3 GLU 55 - HD2 PRO 58 far 5 92 5 - 6.2-10.2 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 2.3-3.0 2.3=100 HB3 PRO 56 - HD2 PRO 58 far 0 68 0 - 6.1-6.9 HG2 PRO 56 - HD2 PRO 58 far 0 85 0 - 7.0-7.5 HB3 GLU 55 - HD2 PRO 58 far 0 92 0 - 7.8-9.8 HG3 PRO 56 - HD2 PRO 58 far 0 85 0 - 8.4-8.9 HB VAL 63 - HD2 PRO 58 far 0 100 0 - 8.6-10.6 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 6 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 57 + HD2 PRO 58 OK 87 87 100 100 1.9-3.6 2.1/9309=78, 9302=72...(20) HB2 GLN 61 + HD2 PRO 58 OK 58 68 90 94 2.4-5.3 3.0/10935=38...(21) HB3 GLN 61 + HD2 PRO 58 OK 51 60 90 95 2.4-6.3 3.0/10935=38...(21) HB2 LEU 62 - HD2 PRO 58 far 0 92 0 - 6.5-9.1 HG3 PRO 113 - HD2 PRO 58 far 0 97 0 - 8.8-15.0 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 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (4.45, 3.82, 50.62 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.6-4.1 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HG2 PRO 113 - HD3 PRO 58 far 0 89 0 - 7.7-13.3 HG LEU 53 - HD3 PRO 58 far 0 95 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 1826 from cnoeabs.peaks (2.41, 3.82, 50.62 ppm; 4.85 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HG3 GLN 61 + HD3 PRO 58 OK 70 100 70 100 2.0-6.4 10935/1.8=77...(15) HG3 GLU 55 - HD3 PRO 58 far 0 92 0 - 6.1-10.7 Violated in 0 structures by 0.00 A. Peak 1827 from cnoeabs.peaks (2.03, 3.82, 50.62 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 56 - HD3 PRO 58 far 0 68 0 - 5.8-6.9 HG2 PRO 56 - HD3 PRO 58 far 0 85 0 - 6.6-7.5 HG3 PRO 56 - HD3 PRO 58 far 0 85 0 - 8.0-9.0 HB3 GLU 55 - HD3 PRO 58 far 0 92 0 - 8.7-9.8 HB VAL 63 - HD3 PRO 58 far 0 100 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (2.07, 3.82, 50.62 ppm; 3.61 A): 4 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 57 + HD3 PRO 58 OK 87 87 100 100 1.9-3.7 2.1/9308=71, 9303=56...(21) HB2 GLN 61 + HD3 PRO 58 OK 55 68 85 94 2.7-5.2 ~10935=24, ~10934=23...(24) HB3 GLN 61 + HD3 PRO 58 OK 45 60 80 95 3.0-5.0 ~10935=24, ~10934=23...(24) HB2 LEU 62 - HD3 PRO 58 far 0 92 0 - 7.2-8.7 HG3 PRO 113 - HD3 PRO 58 far 0 97 0 - 8.6-14.3 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 4 89 5 - 4.9-12.0 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 - 5.0-7.5 HG3 GLU 55 - HA PRO 58 far 0 92 0 - 8.5-12.3 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 - 6.7-7.5 HB VAL 63 - HA PRO 58 far 0 100 0 - 8.1-9.5 HG2 PRO 56 - HA PRO 58 far 0 85 0 - 8.5-9.1 HG3 PRO 56 - HA PRO 58 far 0 85 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 1836 from cnoeabs.peaks (2.07, 4.45, 62.57 ppm; 4.80 A): 4 out of 7 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 86 87 100 99 4.6-4.7 2.1/10926=63...(7) HB2 GLN 61 + HA PRO 58 OK 45 68 85 77 5.0-6.6 1844/2.3=24, 1860/3.8=19...(11) HB3 GLN 61 + HA PRO 58 OK 44 60 95 78 4.7-7.2 ~1844=18, 1844/2.3=16...(11) HB2 LEU 62 - HA PRO 58 far 0 92 0 - 6.3-7.3 HG3 PRO 113 - HA PRO 58 far 0 97 0 - 6.6-12.6 HB VAL 118 - HA PRO 58 far 0 92 0 - 9.7-12.1 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 3.6-4.1 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 3.6-4.1 3.6=100 HA LEU 62 - HA PRO 58 far 0 68 0 - 7.9-8.8 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 2.2-2.4 6709=100, 6711/2.3=52...(7) 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 - 9.6-10.5 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 9 assignments used, quality = 1.00: * HB3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 61 - HB2 PRO 58 far 5 100 5 - 4.1-6.9 HG3 GLU 97 - HB2 LYS 95 far 0 73 0 - 5.7-8.9 HG3 GLU 97 - HB3 LYS 95 far 0 80 0 - 5.9-9.3 HG3 GLU 128 - HB2 LYS 95 far 0 72 0 - 6.5-9.0 HG3 GLU 128 - HB3 LYS 95 far 0 79 0 - 7.4-9.7 HG2 GLN 101 - HB3 LYS 95 far 0 77 0 - 9.0-11.1 HG2 GLN 101 - HB2 LYS 95 far 0 70 0 - 9.6-11.8 HG3 GLU 55 - HB2 PRO 58 far 0 92 0 - 9.7-13.8 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 9 assignments used, quality = 1.00: * HG2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 GLU 91 - HB2 LYS 95 far 0 75 0 - 5.6-7.7 HB VAL 63 - HB2 PRO 58 far 0 100 0 - 6.8-7.8 HB3 GLU 91 - HB3 LYS 95 far 0 83 0 - 7.0-8.9 HB ILE 129 - HB2 LYS 95 far 0 49 0 - 8.6-9.8 HB3 PRO 56 - HB2 PRO 58 far 0 68 0 - 8.8-9.5 QE MET 11 - HB2 PRO 58 far 0 93 0 - 9.0-42.0 HB ILE 129 - HB3 LYS 95 far 0 55 0 - 9.6-10.9 HG2 ARG 90 - HB2 LYS 95 far 0 76 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1844 from cnoeabs.peaks (2.07, 1.95, 32.16 ppm; 3.32 A): 3 out of 9 assignments used, quality = 1.00: * HG3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 GLN 61 + HB2 PRO 58 OK 42 68 70 88 3.9-5.1 1860/2.3=17...(27) HB3 GLN 61 + HB2 PRO 58 OK 29 60 55 88 4.0-6.4 4.0/10981=15...(27) HB VAL 57 - HB2 PRO 58 far 0 87 0 - 5.1-5.3 HB2 GLU 128 - HB2 LYS 95 far 0 73 0 - 6.2-8.0 HB2 LEU 62 - HB2 PRO 58 far 0 92 0 - 6.4-7.7 HB2 GLU 128 - HB3 LYS 95 far 0 80 0 - 7.0-8.4 HG3 PRO 113 - HB2 PRO 58 far 0 97 0 - 9.2-15.3 HB2 GLU 102 - HB3 LYS 95 far 0 79 0 - 9.3-11.9 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 3.9-4.0 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 8 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HA ARG 90 - HB2 LYS 95 far 0 45 0 - 7.0-8.3 HA LEU 62 - HB2 PRO 58 far 0 68 0 - 7.6-8.5 HA VAL 118 - HB3 LYS 95 far 0 84 0 - 8.1-10.2 HA ARG 90 - HB3 LYS 95 far 0 51 0 - 8.7-9.7 HA VAL 118 - HB2 LYS 95 far 0 76 0 - 9.3-11.6 HA LEU 123 - HB3 LYS 95 far 0 47 0 - 9.4-11.1 HA LEU 123 - HB2 LYS 95 far 0 41 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1847 from cnoeabs.peaks (8.89, 1.95, 32.16 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + HB2 PRO 58 OK 100 100 100 100 2.5-3.5 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 2 assignments used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 - HB3 PRO 58 far 0 89 0 - 6.8-13.8 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 - 7.6-8.4 HB VAL 63 - HB3 PRO 58 far 0 100 0 - 8.6-9.5 HG2 PRO 56 - HB3 PRO 58 far 0 85 0 - 9.0-9.7 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 6 assignments used, quality = 1.00: * HG3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 GLN 61 - HB3 PRO 58 far 0 68 0 - 4.7-6.1 HB3 GLN 61 - HB3 PRO 58 far 0 60 0 - 4.9-7.4 HB VAL 57 - HB3 PRO 58 far 0 87 0 - 5.2-5.5 HB2 LEU 62 - HB3 PRO 58 far 0 92 0 - 7.6-8.8 HG3 PRO 113 - HB3 PRO 58 far 0 97 0 - 8.5-14.5 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 3.0-3.9 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 3.0-3.9 3.0=100 HA LEU 62 - HB3 PRO 58 far 0 68 0 - 8.8-9.8 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 3.4-4.0 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 - 8.5-9.1 HA ASP 64 - HG2 PRO 58 far 0 100 0 - 9.0-9.9 HB THR 54 - HG3 PRO 56 far 0 47 0 - 9.3-9.7 HA PRO 58 - HG3 PRO 56 far 0 51 0 - 9.4-10.0 HB THR 54 - HG2 PRO 56 far 0 47 0 - 9.4-9.8 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 8 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 2.3-3.0 2.9=100 HB3 LYS 86 - HG2 ARG 90 poor 12 60 20 - 4.7-6.9 HG2 PRO 113 - HG3 PRO 56 far 2 40 5 - 5.0-9.7 HG2 PRO 113 - HG2 PRO 56 far 0 40 0 - 6.1-10.5 HG2 PRO 113 - HG2 PRO 58 far 0 89 0 - 8.7-15.3 HB2 LYS 95 - HG2 ARG 90 far 0 55 0 - 9.7-11.3 HG LEU 53 - HG2 PRO 58 far 0 95 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (2.41, 2.03, 27.78 ppm; 3.58 A): 2 out of 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 OK 47 100 55 85 1.9-4.9 10935/2.3=36, ~10934=27...(12) HG3 GLU 55 - HG2 PRO 56 far 0 42 0 - 4.7-6.9 HG3 GLU 55 - HG3 PRO 56 far 0 42 0 - 5.1-7.5 HG3 GLU 55 - HG2 PRO 58 far 0 92 0 - 8.2-12.4 HG3 GLU 97 - HG2 ARG 90 far 0 57 0 - 8.6-10.9 HG3 GLN 61 - HG2 PRO 56 far 0 50 0 - 8.8-10.6 HB3 PRO 58 - HG2 PRO 56 far 0 51 0 - 9.0-9.7 HG3 GLU 128 - HG2 ARG 90 far 0 57 0 - 9.2-12.8 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 13 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 35 68 95 55 1.9-3.6 3.0/1858=9, 1844/2.3=8...(16) HB3 GLN 61 + HG2 PRO 58 OK 30 60 90 55 2.2-4.5 3.0/1858=9, ~10935=8...(17) HB VAL 57 - HG2 PRO 58 far 0 87 0 - 3.5-3.9 HB2 LEU 62 - HG2 PRO 58 far 0 92 0 - 6.1-7.3 HG3 PRO 113 - HG3 PRO 56 far 0 46 0 - 6.3-10.3 HB VAL 57 - HG2 PRO 56 far 0 38 0 - 7.0-7.3 HG3 PRO 113 - HG2 PRO 56 far 0 46 0 - 7.1-11.6 HB VAL 57 - HG3 PRO 56 far 0 38 0 - 8.4-8.6 HG3 PRO 58 - HG2 PRO 56 far 0 51 0 - 8.9-9.5 HB3 GLN 61 - HG2 PRO 56 far 0 24 0 - 9.1-10.4 HB2 GLN 61 - HG2 PRO 56 far 0 28 0 - 9.5-10.9 HB2 GLU 128 - HG2 ARG 90 far 0 57 0 - 9.6-13.3 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 2.3-3.0 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 51 0 - 7.0-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 51 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 90 + HG2 ARG 90 OK 35 35 100 100 2.5-3.7 3.8=94, 2.9/7219=63...(22) HA LEU 62 - HG2 PRO 58 far 0 68 0 - 6.5-7.6 HD3 PRO 58 - HG2 PRO 56 far 0 51 0 - 6.6-7.5 HD3 PRO 58 - HG3 PRO 56 far 0 51 0 - 8.0-9.0 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 4.3-5.0 6712=100, 6711/2.3=95...(9) H GLY 66 - HG2 PRO 58 far 0 99 0 - 9.2-9.9 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 HA PRO 58 - HG3 PRO 113 far 0 60 0 - 6.6-12.6 HA ASN 120 - HB2 GLN 127 far 0 37 0 - 7.8-9.9 HB THR 54 - HB2 GLN 127 far 0 73 0 - 10.0-13.7 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 5 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 - 7.1-10.8 HG2 PRO 113 - HG3 PRO 58 far 0 89 0 - 8.7-15.2 HB2 PRO 58 - HG3 PRO 113 far 0 60 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 1866 from cnoeabs.peaks (2.41, 2.07, 27.78 ppm; 4.52 A): 2 out of 6 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 OK 34 100 35 96 3.3-6.4 10935/2.3=63, ~10934=45...(12) HG3 GLU 128 - HB2 GLN 127 far 7 72 10 - 3.9-7.0 HB3 PRO 58 - HG3 PRO 113 far 0 60 0 - 8.5-14.5 HG3 GLU 55 - HG3 PRO 58 far 0 92 0 - 8.8-12.7 HG3 GLU 55 - HG3 PRO 113 far 0 50 0 - 9.3-14.6 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 - 5.0-9.9 HG3 PRO 56 - HG3 PRO 113 far 0 44 0 - 6.3-10.3 HG2 PRO 56 - HG3 PRO 113 far 0 44 0 - 7.1-11.6 HB ILE 129 - HB2 GLN 127 far 0 49 0 - 7.1-7.6 HB3 PRO 56 - HG3 PRO 58 far 0 68 0 - 8.0-8.6 HB VAL 63 - HG3 PRO 58 far 0 100 0 - 8.5-9.3 HG2 PRO 56 - HG3 PRO 58 far 0 85 0 - 8.9-9.5 HG3 ARG 135 - HB2 GLN 127 far 0 75 0 - 9.4-15.5 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 2 assignments used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 58 - HG3 PRO 113 far 0 60 0 - 8.8-15.0 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (3.82, 2.07, 27.78 ppm; 4.25 A): 1 out of 6 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 SER 50 - HB2 GLN 127 far 9 60 15 - 4.8-7.0 HA LEU 123 - HB2 GLN 127 far 2 41 5 - 4.1-6.4 HB2 SER 130 - HB2 GLN 127 far 0 77 0 - 6.0-8.5 HA LEU 62 - HG3 PRO 58 far 0 68 0 - 8.2-9.4 HD3 PRO 58 - HG3 PRO 113 far 0 60 0 - 8.6-14.3 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 2.7-2.9 2.9=100 H GLY 66 - HA ASN 59 far 0 99 0 - 8.0-8.8 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 3 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 71 - HA LYS 24 far 0 90 0 - 5.8-30.2 HG2 GLN 134 - HA ASP 47 far 0 24 0 - 8.4-11.5 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 3 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 poor 15 73 20 - 5.3-9.2 HB3 ASP 131 - HA ASP 47 far 0 49 0 - 9.2-11.9 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 3.2-3.7 3.9/1596=71, 6590/3.6=70...(12) H HIS 67 - HA ASN 59 far 0 97 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (7.43, 4.33, 56.25 ppm; 4.79 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 62 + HA ASN 59 OK 100 100 100 100 3.3-3.7 6780=100, 3.9/1880=73...(15) H GLN 61 + HA ASN 59 OK 92 95 100 98 4.1-4.6 3.9/6780=58, 6750/3.6=57...(10) HE22 GLN 104 - HA ASN 59 far 0 99 0 - 7.0-10.1 H GLN 61 - HA LYS 24 far 0 86 0 - 8.8-40.7 HE22 GLN 104 - HA LYS 24 far 0 92 0 - 9.8-39.5 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 14 assignments used, quality = 1.00: * HB2 LEU 62 + HA ASN 59 OK 100 100 100 100 2.8-4.0 3.2/9388=69, 1.8/9360=64...(26) QE MET 11 - HA LYS 24 far 4 81 5 - 4.3-25.4 HB VAL 118 - HA ASN 59 far 0 100 0 - 6.2-8.3 HB2 GLN 127 - HA ASP 47 far 0 53 0 - 6.2-8.8 HG3 PRO 58 - HA ASN 59 far 0 92 0 - 6.7-7.0 HG3 PRO 58 - HA LYS 24 far 0 83 0 - 6.8-43.6 HB3 GLU 44 - HA ASP 47 far 0 36 0 - 7.4-8.5 HB3 GLN 27 - HA LYS 24 far 0 93 0 - 7.4-13.2 HB3 GLU 44 - HA LYS 24 far 0 71 0 - 7.8-31.8 HG3 PRO 113 - HA ASN 59 far 0 100 0 - 8.0-13.6 HG3 GLN 134 - HA ASP 47 far 0 31 0 - 9.0-12.6 QE MET 11 - HA ASN 59 far 0 90 0 - 9.2-42.2 HB2 GLU 102 - HA ASN 59 far 0 71 0 - 9.3-12.5 HB2 GLU 128 - HA ASP 47 far 0 32 0 - 9.9-12.3 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 7 assignments used, quality = 1.00: * HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 2.5-5.1 1980=100, 1.8/1880=100...(23) QG2 THR 115 + HA ASN 59 OK 43 97 75 59 5.2-9.0 10195/11837=32...(3) HG12 ILE 32 - HA LYS 24 far 4 77 5 - 4.7-18.8 QG2 THR 18 - HA LYS 24 far 3 57 5 - 7.0-13.3 QB ALA 41 - HA LYS 24 far 0 59 0 - 9.5-22.8 QG2 VAL 132 - HA ASP 47 far 0 51 0 - 9.8-11.1 QB ALA 41 - HA ASP 47 far 0 29 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 1882 from cnoeabs.peaks (8.89, 2.62, 38.37 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.3-3.6 4.0=100 H GLY 66 - HB2 ASN 59 far 0 99 0 - 8.7-11.0 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 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1884 from cnoeabs.peaks (2.62, 2.62, 38.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB2 ASN 59 OK 100 100 - 100 Peak 1885 from cnoeabs.peaks (2.87, 2.62, 38.37 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HB2 ASN 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 116 - HB2 ASN 59 far 0 73 0 - 4.5-8.2 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 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (7.79, 2.62, 38.37 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 1888 from cnoeabs.peaks (8.66, 2.62, 38.37 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + HB2 ASN 59 OK 100 100 100 100 2.7-4.2 4.5=100 H HIS 67 - HB2 ASN 59 far 0 97 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 1889 from cnoeabs.peaks (8.89, 2.87, 38.37 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.1-3.6 4.0=100 H GLY 66 - HB3 ASN 59 far 0 99 0 - 9.3-10.8 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 2.3-3.0 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 2.8-4.1 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 2.2-4.1 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 2.6-4.0 4.5=100 H HIS 67 - HB3 ASN 59 far 0 97 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 1896 from cnoeabs.peaks (8.66, 4.01, 60.84 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + HA SER 60 OK 100 100 100 100 2.8-2.9 2.8=100 H HIS 67 - HA SER 60 far 0 97 0 - 7.6-8.6 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: * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 107 - HA SER 60 poor 19 93 20 - 2.9-11.6 HA2 GLY 111 - HA SER 60 far 0 76 0 - 6.2-14.2 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: HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 107 - HA SER 60 poor 19 93 20 - 2.9-11.6 HA2 GLY 111 - HA SER 60 far 0 76 0 - 6.2-14.2 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 81 3.9-4.9 4.2/6801=50, 6746/2.8=36...(9) HE22 GLN 104 - HA SER 60 far 15 99 15 - 4.7-7.2 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 3.1-3.7 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 3 assignments used, quality = 1.00: * HB VAL 63 + HA SER 60 OK 100 100 100 100 2.3-3.2 2020=100, 2.1/10978=72...(12) QE MET 11 - HA SER 60 far 0 85 0 - 5.4-39.7 HG2 PRO 58 - HA SER 60 far 0 100 0 - 5.5-6.1 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 6 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 2.3-3.6 4.0=100 H HIS 8 - HB2 SER 60 far 0 98 0 - 8.5-61.0 H HIS 8 - HB3 SER 60 far 0 98 0 - 8.9-60.1 H HIS 67 - HB2 SER 60 far 0 97 0 - 9.0-11.0 H HIS 67 - HB3 SER 60 far 0 97 0 - 9.0-10.8 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 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 99 0 - 8.8-11.7 HA LEU 103 - HB3 SER 60 far 0 99 0 - 9.2-12.7 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 2.6-4.1 4.6=100 H LEU 62 + HB3 SER 60 OK 72 95 100 76 4.9-6.4 6746/4.0=46, 1900/3.0=43...(5) H LEU 62 + HB2 SER 60 OK 72 95 100 76 4.9-6.1 6746/4.0=46, 1900/3.0=43...(5) HE22 GLN 104 - HB2 SER 60 poor 13 99 35 38 6.5-9.3 10077/10977=36 HE22 GLN 104 - HB3 SER 60 poor 9 99 25 38 6.4-9.9 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 6 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 2.3-3.6 4.0=100 H HIS 8 - HB2 SER 60 far 0 98 0 - 8.5-61.0 H HIS 8 - HB3 SER 60 far 0 98 0 - 8.9-60.1 H HIS 67 - HB2 SER 60 far 0 97 0 - 9.0-11.0 H HIS 67 - HB3 SER 60 far 0 97 0 - 9.0-10.8 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 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 99 0 - 8.8-11.7 HA LEU 103 - HB3 SER 60 far 0 99 0 - 9.2-12.7 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 2.6-4.1 4.6=100 H LEU 62 + HB3 SER 60 OK 72 95 100 76 4.9-6.4 6746/4.0=46, 1900/3.0=43...(5) H LEU 62 + HB2 SER 60 OK 72 95 100 76 4.9-6.1 6746/4.0=46, 1900/3.0=43...(5) HE22 GLN 104 - HB2 SER 60 poor 13 99 35 38 6.5-9.3 10077/10977=36 HE22 GLN 104 - HB3 SER 60 poor 9 99 25 38 6.4-9.9 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 - 8.6-11.6 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 2.4-3.0 3.0=100 HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 57 - HA GLN 61 far 0 99 0 - 4.9-6.0 HG3 PRO 58 - HA GLN 61 far 0 68 0 - 5.1-6.1 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 2.5-3.0 3.0=100 HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 - HA GLN 61 far 0 97 0 - 4.9-6.0 HG3 PRO 58 - HA GLN 61 far 0 60 0 - 5.1-6.1 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (2.28, 4.28, 57.87 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.4-3.9 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 3.2-3.7 3.8=100 HB3 PRO 58 - HA GLN 61 far 0 100 0 - 6.5-7.3 HG3 GLU 55 - HA GLN 61 far 0 89 0 - 9.3-14.5 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 - 8.6-11.6 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 3.5-4.0 6819=100, 3.9/2053=93...(10) H VAL 112 - HA GLN 61 far 0 73 0 - 9.3-14.6 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 2.9-5.0 2047=100, 1.8/2053=95...(5) Violated in 2 structures by 0.04 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 3.2-4.1 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 9 assignments used, quality = 1.00: * H GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-2.8 4.0=100 H GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.6 4.0=100 H LEU 62 + HB2 GLN 61 OK 95 95 100 100 2.3-4.2 4.6=100 H LEU 62 + HB3 GLN 61 OK 94 94 100 100 2.3-3.4 4.6=100 HE22 GLN 104 - HB2 GLU 102 far 0 71 0 - 7.3-9.9 QE PHE 89 - HB2 GLU 128 far 0 45 0 - 7.4-9.4 QE PHE 89 - HB3 GLN 82 far 0 66 0 - 9.2-10.6 HE22 GLN 104 - HB2 GLN 61 far 0 99 0 - 9.6-13.1 HE22 GLN 104 - HB3 GLN 61 far 0 98 0 - 9.9-12.7 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 11 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HA THR 25 - HB2 GLN 61 far 0 97 0 - 6.0-40.9 HA ALA 108 - HB2 GLU 102 far 0 72 0 - 6.5-13.1 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 6.9-17.8 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 7.2-16.5 HA ASP 131 - HB2 GLU 128 far 0 34 0 - 7.6-8.2 HA THR 25 - HB3 GLN 61 far 0 97 0 - 7.6-41.5 HA PHE 87 - HB3 GLN 82 far 0 74 0 - 9.5-11.4 HA ALA 108 - HB3 GLN 61 far 0 99 0 - 9.8-15.8 HA LYS 26 - HB2 GLN 61 far 0 96 0 - 10.0-39.8 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 85 85 - 100 HB2 GLU 102 + HB2 GLU 102 OK 60 60 - 100 HB2 GLU 128 + HB2 GLU 128 OK 50 50 - 100 Peak 1928 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 83 83 - 100 HB2 GLU 102 + HB2 GLU 102 OK 55 55 - 100 HB2 GLU 128 + HB2 GLU 128 OK 45 45 - 100 Reference assignment not found: HB3 GLN 61 - HB2 GLN 61 Peak 1929 from cnoeabs.peaks (2.28, 2.10, 28.56 ppm; 3.86 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 101 - HB2 GLU 102 poor 14 55 25 - 4.0-6.0 HB2 PRO 81 - HB3 GLN 82 far 0 53 0 - 5.2-6.9 HB VAL 132 - HB2 GLU 128 far 0 63 0 - 5.7-8.2 HB VAL 105 - HB2 GLU 102 far 0 60 0 - 6.6-7.5 HB VAL 132 - HB3 GLN 82 far 0 87 0 - 7.3-11.3 HG2 GLU 97 - HB2 GLU 102 far 0 68 0 - 7.7-12.4 HB3 PRO 113 - HB2 GLN 61 far 0 99 0 - 9.1-16.3 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 2.2-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.2-2.8 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 2.4-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 24 68 60 59 3.0-7.8 7450/3.8=43, 4101/1.8=8...(7) HB3 PRO 58 - HB2 GLN 61 far 15 100 15 - 4.7-6.1 HB3 PRO 58 - HB3 GLN 61 far 10 100 10 - 4.9-7.4 HG3 GLU 55 - HB3 GLN 61 far 0 88 0 - 6.7-11.8 HG3 GLU 55 - HB2 GLN 61 far 0 89 0 - 7.6-12.8 HG3 GLU 97 - HB2 GLU 102 far 0 71 0 - 7.9-12.6 Violated in 0 structures by 0.00 A. Peak 1932 from cnoeabs.peaks (7.56, 2.10, 28.56 ppm; 5.13 A): 3 out of 8 assignments used, quality = 1.00: * HE22 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-4.9 4.4=100 HE22 GLN 61 + HB3 GLN 61 OK 100 100 100 100 1.9-5.4 4.4=100 H GLN 82 + HB3 GLN 82 OK 86 86 100 100 2.1-3.2 4.0=100 H LEU 119 - HB2 GLU 102 far 0 59 0 - 6.7-10.1 H THR 54 - HB3 GLN 61 far 0 97 0 - 8.5-11.0 H THR 54 - HB2 GLN 61 far 0 97 0 - 8.5-12.1 H LEU 119 - HB3 GLN 61 far 0 88 0 - 9.6-11.6 H LEU 119 - HB2 GLN 61 far 0 89 0 - 9.9-13.2 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 7 assignments used, quality = 1.00: * H LEU 62 + HB2 GLN 61 OK 100 100 100 100 2.3-4.2 4.6=100 H LEU 62 + HB3 GLN 61 OK 100 100 100 100 2.3-3.4 4.6=100 H GLN 61 + HB2 GLN 61 OK 95 95 100 100 2.2-2.8 4.0=100 H GLN 61 + HB3 GLN 61 OK 94 94 100 100 2.3-3.6 4.0=100 HE22 GLN 104 - HB2 GLU 102 far 0 71 0 - 7.3-9.9 HE22 GLN 104 - HB2 GLN 61 far 0 99 0 - 9.6-13.1 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.9-12.7 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 8 assignments used, quality = 1.00: * H GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.6 4.0=100 H GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-2.8 4.0=100 H LEU 62 + HB3 GLN 61 OK 95 95 100 100 2.3-3.4 4.6=100 H LEU 62 + HB2 GLN 61 OK 94 94 100 100 2.3-4.2 4.6=100 HE22 GLN 104 - HB2 GLU 102 far 0 59 0 - 7.3-9.9 QE PHE 89 - HB3 GLN 82 far 0 61 0 - 9.2-10.6 HE22 GLN 104 - HB2 GLN 61 far 0 98 0 - 9.6-13.1 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.9-12.7 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 10 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 25 - HB2 GLN 61 far 0 97 0 - 6.0-40.9 HA ALA 108 - HB2 GLU 102 far 0 61 0 - 6.5-13.1 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 6.9-17.8 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 7.2-16.5 HA THR 25 - HB3 GLN 61 far 0 97 0 - 7.6-41.5 HA PHE 87 - HB3 GLN 82 far 0 68 0 - 9.5-11.4 HA ALA 108 - HB3 GLN 61 far 0 100 0 - 9.8-15.8 HA LYS 26 - HB2 GLN 61 far 0 95 0 - 10.0-39.8 Violated in 0 structures by 0.00 A. Peak 1936 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 80 80 - 100 HB2 GLU 102 + HB2 GLU 102 OK 50 50 - 100 Reference assignment not found: HB2 GLN 61 - HB3 GLN 61 Peak 1937 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 78 78 - 100 HB2 GLU 102 + HB2 GLU 102 OK 46 46 - 100 Peak 1938 from cnoeabs.peaks (2.28, 2.10, 28.56 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLN 101 - HB2 GLU 102 poor 11 46 25 - 4.0-6.0 HB2 PRO 81 - HB3 GLN 82 far 0 49 0 - 5.2-6.9 HB VAL 105 - HB2 GLU 102 far 0 50 0 - 6.6-7.5 HB VAL 132 - HB3 GLN 82 far 0 82 0 - 7.3-11.3 HG2 GLU 97 - HB2 GLU 102 far 0 57 0 - 7.7-12.4 HB3 PRO 113 - HB2 GLN 61 far 0 98 0 - 9.1-16.3 Violated in 0 structures by 0.00 A. Peak 1939 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 4.06 A): 6 out of 9 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 PRO 58 + HB2 GLN 61 OK 57 100 60 95 4.7-6.1 9331/4.0=33, ~10935=24...(25) HG2 GLN 82 + HB3 GLN 82 OK 47 47 100 100 2.4-3.0 2.9=100 HB3 PRO 58 + HB3 GLN 61 OK 24 100 25 96 4.9-7.4 9331/4.0=33, ~10935=24...(25) HG2 GLN 101 + HB2 GLU 102 OK 21 57 60 61 3.0-7.8 7450/3.8=45, 4101/1.8=8...(7) HG3 GLU 55 - HB3 GLN 61 far 0 89 0 - 6.7-11.8 HG3 GLU 55 - HB2 GLN 61 far 0 88 0 - 7.6-12.8 HG3 GLU 97 - HB2 GLU 102 far 0 59 0 - 7.9-12.6 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (7.56, 2.10, 28.56 ppm; 5.56 A): 3 out of 8 assignments used, quality = 1.00: * HE22 GLN 61 + HB3 GLN 61 OK 100 100 100 100 1.9-5.4 4.4=100 HE22 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-4.9 4.4=100 H GLN 82 + HB3 GLN 82 OK 81 81 100 100 2.1-3.2 4.0=100 H LEU 119 - HB2 GLU 102 far 0 48 0 - 6.7-10.1 H THR 54 - HB3 GLN 61 far 0 97 0 - 8.5-11.0 H THR 54 - HB2 GLN 61 far 0 97 0 - 8.5-12.1 H LEU 119 - HB3 GLN 61 far 0 89 0 - 9.6-11.6 H LEU 119 - HB2 GLN 61 far 0 88 0 - 9.9-13.2 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 7 assignments used, quality = 1.00: * H LEU 62 + HB3 GLN 61 OK 100 100 100 100 2.3-3.4 4.6=100 H LEU 62 + HB2 GLN 61 OK 100 100 100 100 2.3-4.2 4.6=100 H GLN 61 + HB3 GLN 61 OK 95 95 100 100 2.3-3.6 4.0=100 H GLN 61 + HB2 GLN 61 OK 94 94 100 100 2.2-2.8 4.0=100 HE22 GLN 104 - HB2 GLU 102 far 0 60 0 - 7.3-9.9 HE22 GLN 104 - HB2 GLN 61 far 0 99 0 - 9.6-13.1 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.9-12.7 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 3 assignments used, quality = 1.00: * H GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.5-4.6 4.5=100 H LEU 62 + HG2 GLN 61 OK 93 95 100 98 3.7-4.9 3.6/1944=75, 6787=61...(9) HE22 GLN 104 - HG2 GLN 61 far 0 99 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (4.28, 2.28, 33.67 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.4-3.9 3.8=100 HA THR 25 - HG2 GLN 61 far 0 97 0 - 5.5-39.1 HA LYS 26 - HG2 GLN 61 far 0 96 0 - 8.8-38.2 HA ALA 110 - HG2 GLN 61 far 0 100 0 - 9.6-18.2 Violated in 2 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 2.3-2.9 3.0=100 HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 + HG2 GLN 61 OK 39 99 40 100 2.3-5.3 2.1/9377=57...(30) HG3 PRO 58 - HG2 GLN 61 far 3 68 5 - 3.8-6.5 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 2.4-3.0 3.0=100 HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB VAL 57 + HG2 GLN 61 OK 38 97 40 100 2.3-5.3 2.1/9377=57...(30) HG3 PRO 58 - HG2 GLN 61 far 3 60 5 - 3.8-6.5 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 - 5.4-8.2 HG3 GLU 55 - HG2 GLN 61 far 0 89 0 - 5.9-12.7 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 - 6.9-12.1 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 2.2-3.8 3.5=100 H THR 54 - HG2 GLN 61 far 0 97 0 - 8.6-11.1 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 3 assignments used, quality = 1.00: * H LEU 62 + HG2 GLN 61 OK 99 100 100 99 3.7-4.9 3.6/1944=75, 6787=66...(9) H GLN 61 + HG2 GLN 61 OK 95 95 100 100 2.5-4.6 4.5=100 HE22 GLN 104 - HG2 GLN 61 far 0 99 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (7.42, 2.41, 33.67 ppm; 4.42 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.8-4.6 4.5=94, 2.8/1953=83...(8) H LEU 62 + HG3 GLN 61 OK 93 95 100 98 3.1-4.8 3.6/1953=71, 6787/1.8=50...(11) HE22 GLN 104 - HG2 GLN 101 far 0 85 0 - 6.4-9.7 H LEU 62 - HG3 GLU 55 far 0 59 0 - 8.2-12.8 H GLN 61 - HG3 GLU 55 far 0 67 0 - 9.2-13.9 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 6 assignments used, quality = 0.99: * HA GLN 61 + HG3 GLN 61 OK 99 100 100 99 3.2-3.7 3.8=91, 1944/1.8=78...(4) HA THR 25 - HG3 GLN 61 far 0 97 0 - 6.0-40.6 HA ALA 108 - HG2 GLN 101 far 0 86 0 - 8.9-16.8 HA ALA 110 - HG3 GLN 61 far 0 100 0 - 9.1-17.1 HA GLN 61 - HG3 GLU 55 far 0 67 0 - 9.3-14.5 HA LYS 26 - HG3 GLN 61 far 0 96 0 - 9.7-39.5 Violated in 2 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 3.29 A): 3 out of 9 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-2.8 3.0=100 HB VAL 57 + HG3 GLN 61 OK 98 99 100 99 2.4-3.9 2.1/10936=50...(32) HB2 GLU 102 - HG2 GLN 101 poor 14 73 40 47 3.0-7.8 7455/7450=28...(7) HG3 PRO 58 - HG3 GLN 61 far 3 68 5 - 3.3-6.4 HB VAL 57 - HG3 GLU 55 far 0 64 0 - 4.7-9.2 HB3 GLN 61 - HG3 GLU 55 far 0 67 0 - 6.7-11.8 HB2 GLN 61 - HG3 GLU 55 far 0 67 0 - 7.6-12.8 HG3 PRO 58 - HG3 GLU 55 far 0 39 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 1955 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 3.29 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 96 97 100 99 2.4-3.9 2.1/10936=50...(31) HB2 GLU 102 - HG2 GLN 101 poor 12 68 40 46 3.0-7.8 3.8/7450=28, 1416/7419=7...(7) HG3 PRO 58 - HG3 GLN 61 far 3 60 5 - 3.3-6.4 HB VAL 57 - HG3 GLU 55 far 0 61 0 - 4.7-9.2 HB3 GLN 61 - HG3 GLU 55 far 0 67 0 - 6.7-11.8 HB2 GLN 61 - HG3 GLU 55 far 0 67 0 - 7.6-12.8 HG3 PRO 58 - HG3 GLU 55 far 0 33 0 - 8.8-12.7 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 7 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 101 + HG2 GLN 101 OK 61 68 100 89 2.2-3.0 2.9=62, 3.0/3277=25...(10) HB VAL 105 - HG2 GLN 101 far 0 73 0 - 4.4-9.7 HG2 GLU 97 - HG2 GLN 101 far 0 82 0 - 5.0-8.8 HG2 GLN 61 - HG3 GLU 55 far 0 67 0 - 5.9-12.7 HB3 PRO 113 - HG3 GLU 55 far 0 65 0 - 7.4-13.7 HB3 PRO 113 - HG3 GLN 61 far 0 99 0 - 9.3-16.8 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 2.2-3.8 3.5=100 HE21 GLN 61 - HG3 GLU 55 far 3 67 5 - 5.1-10.3 HE21 GLN 68 - HG3 GLN 61 far 0 78 0 - 7.7-12.8 HD21 ASN 121 - HG2 GLN 101 far 0 87 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (7.56, 2.41, 33.67 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.1-3.9 3.5=100 H THR 54 - HG3 GLU 55 poor 19 62 30 - 3.2-5.9 HE22 GLN 61 - HG3 GLU 55 far 0 67 0 - 5.2-11.8 H THR 54 - HG3 GLN 61 far 0 97 0 - 7.7-10.0 Violated in 1 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (7.43, 2.41, 33.67 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 62 + HG3 GLN 61 OK 99 100 100 99 3.1-4.8 3.6/1953=70, 6787/1.8=52...(11) H GLN 61 + HG3 GLN 61 OK 94 95 100 100 2.8-4.6 4.5=90, 2.8/1953=82...(8) HE22 GLN 104 - HG2 GLN 101 far 0 85 0 - 6.4-9.7 H LEU 62 - HG3 GLU 55 far 0 67 0 - 8.2-12.8 H GLN 61 - HG3 GLU 55 far 0 59 0 - 9.2-13.9 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 2.8-2.9 2.9=100 H GLN 61 - HA LEU 62 far 5 95 5 - 5.2-5.5 HE22 GLN 104 - HA LEU 62 far 0 99 0 - 7.2-11.7 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 5 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.6-3.0 3.0=100 HB VAL 118 - HA LEU 62 far 0 100 0 - 8.0-10.2 HG3 PRO 58 - HA LEU 62 far 0 92 0 - 8.2-9.4 QE MET 11 - HA LEU 62 far 0 90 0 - 8.7-39.9 HB3 GLU 55 - HA LEU 62 far 0 92 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 1964 from cnoeabs.peaks (1.14, 3.85, 57.95 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 115 - HA LEU 62 far 0 97 0 - 9.2-12.8 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 5 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.6-3.4 3.7=100 HG LEU 119 - HA LEU 62 far 0 68 0 - 6.7-8.8 HB2 LEU 69 - HA LEU 62 far 0 81 0 - 8.5-10.9 HB2 LEU 123 - HA LEU 62 far 0 100 0 - 8.6-11.1 HD2 LYS 26 - HA LEU 62 far 0 96 0 - 9.5-41.5 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 1.9-2.6 1998=100, 2.1/1967=65...(16) QD2 LEU 100 - HA LEU 62 poor 19 100 25 77 4.0-5.8 9386/4.9=32...(10) Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (0.91, 3.85, 57.95 ppm; 3.63 A): 1 out of 9 assignments used, quality = 0.99: * QD1 LEU 62 + HA LEU 62 OK 99 100 100 99 3.7-4.0 2.1/1998=78, 4.1=69...(11) QD1 LEU 49 - HA LEU 62 far 10 100 10 - 3.0-6.6 QG2 VAL 63 - HA LEU 62 far 0 100 0 - 4.7-5.3 QD1 LEU 48 - HA LEU 62 far 0 97 0 - 5.0-8.0 QD2 LEU 48 - HA LEU 62 far 0 100 0 - 5.4-6.8 QG1 VAL 118 - HA LEU 62 far 0 93 0 - 5.7-8.1 QD2 LEU 123 - HA LEU 62 far 0 60 0 - 6.0-9.4 QD1 LEU 119 - HA LEU 62 far 0 63 0 - 6.1-8.2 QD1 LEU 123 - HA LEU 62 far 0 93 0 - 8.0-9.7 Violated in 20 structures by 0.19 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 3.5-3.5 3.6=100 H LEU 122 - HA LEU 62 far 0 87 0 - 8.2-9.8 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 3.5-3.9 6835/3.6=87...(14) 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 2.5-3.6 2.1/10993=81, 2067=74...(11) HA GLN 104 - HA LEU 62 far 0 76 0 - 8.4-10.3 HA LEU 122 - HA LEU 62 far 0 90 0 - 8.5-10.8 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 2.8-4.0 1880=100, 9360/1.8=100...(26) 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 2.3-3.6 3.9=100 H GLN 61 + HB2 LEU 62 OK 75 95 95 84 4.7-6.1 10983/3.0=39...(8) HE22 GLN 104 - HB2 LEU 62 far 0 99 0 - 6.0-10.0 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (3.85, 2.06, 42.10 ppm; 5.01 A): 1 out of 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 - 7.2-10.0 HD3 PRO 58 - HB2 LEU 62 far 0 68 0 - 7.2-8.7 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 - 7.0-10.8 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 24 68 35 100 5.0-7.4 2.9/10951=66, ~10992=56...(22) HB2 LEU 123 - HB2 LEU 62 far 0 100 0 - 8.0-11.6 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 2.2-3.2 3.1=100 QD2 LEU 100 + HB2 LEU 62 OK 79 100 95 83 3.3-5.7 1986/1.8=38...(9) Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (0.91, 2.06, 42.10 ppm; 4.01 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.0-2.7 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 97 100 100 97 2.9-4.3 11012/1.8=77...(14) QD1 LEU 119 + HB2 LEU 62 OK 28 63 45 98 4.3-6.4 3.0/10951=45, ~10992=39...(31) QG1 VAL 118 - HB2 LEU 62 far 14 93 15 - 4.2-6.5 QD1 LEU 49 - HB2 LEU 62 far 0 100 0 - 5.0-8.3 QD2 LEU 123 - HB2 LEU 62 far 0 60 0 - 6.6-9.8 QD1 LEU 48 - HB2 LEU 62 far 0 97 0 - 7.5-10.5 QD2 LEU 48 - HB2 LEU 62 far 0 100 0 - 7.7-9.2 QG2 VAL 112 - HB2 LEU 62 far 0 97 0 - 8.0-11.0 QD1 LEU 123 - HB2 LEU 62 far 0 93 0 - 8.4-10.6 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 2.7-3.7 4.5=100 H LEU 122 - HB2 LEU 62 far 0 87 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 1980 from cnoeabs.peaks (4.33, 1.14, 42.10 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB3 LEU 62 OK 100 100 100 100 2.5-5.1 1880/1.8=100, 9360=99...(23) 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 2.4-3.0 3.0=100 HA LEU 123 - HB3 LEU 62 far 0 100 0 - 6.8-8.9 HD3 PRO 58 - HB3 LEU 62 far 0 68 0 - 7.3-9.6 HB2 SER 50 - HB3 LEU 62 far 0 99 0 - 9.4-13.1 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 6 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 - 5.5-7.8 HG3 PRO 58 - HB3 LEU 62 far 0 92 0 - 7.3-10.2 QE MET 11 - HB3 LEU 62 far 0 90 0 - 9.2-40.8 HB2 GLU 102 - HB3 LEU 62 far 0 71 0 - 9.5-12.2 HB3 GLU 55 - HB3 LEU 62 far 0 92 0 - 9.5-12.4 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 2.6-3.0 3.0=100 HG LEU 119 + HB3 LEU 62 OK 24 68 35 100 4.8-7.1 ~10992=58, ~10951=49...(24) HB2 LEU 123 - HB3 LEU 62 far 0 100 0 - 7.3-10.1 HB2 LEU 69 - HB3 LEU 62 far 0 81 0 - 9.0-11.9 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 2.1-3.1 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 81 100 100 81 2.6-5.3 2003/11012=32, 2000=32...(7) 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 2.0-2.8 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 99 100 100 100 3.8-4.3 11012=96, 6810/4.5=42...(13) QG1 VAL 118 - HB3 LEU 62 poor 13 93 40 36 3.7-6.1 11822/11823=23...(7) QD1 LEU 119 - HB3 LEU 62 poor 13 63 20 - 4.3-6.7 QD1 LEU 49 - HB3 LEU 62 far 10 100 10 - 3.8-8.5 QD2 LEU 123 - HB3 LEU 62 far 0 60 0 - 5.6-8.6 QD1 LEU 48 - HB3 LEU 62 far 0 97 0 - 6.8-9.8 QD2 LEU 48 - HB3 LEU 62 far 0 100 0 - 7.3-8.6 QD1 LEU 123 - HB3 LEU 62 far 0 93 0 - 7.5-9.7 QG2 VAL 112 - HB3 LEU 62 far 0 97 0 - 9.2-11.8 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 2.0-2.8 4.8=100 H GLN 61 + HG LEU 62 OK 93 95 100 98 4.4-5.2 3.9/6794=74, 10983=43...(8) HE22 GLN 104 - HG LEU 62 far 0 99 0 - 8.2-12.3 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 2.6-3.4 3.7=100 HD3 PRO 58 - HG LEU 62 poor 14 68 20 - 5.3-6.9 HA LEU 123 - HG LEU 62 far 0 100 0 - 8.3-9.9 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 5 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 - 6.8-7.6 HB VAL 118 - HG LEU 62 far 0 100 0 - 7.0-9.5 HB3 GLU 55 - HG LEU 62 far 0 92 0 - 7.3-10.1 HG3 PRO 113 - HG LEU 62 far 0 100 0 - 9.3-14.5 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 2.6-3.0 3.0=100 QG2 THR 115 - HG LEU 62 far 0 97 0 - 7.4-10.4 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 - 5.0-7.2 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 QD1 LEU 119 - HG LEU 62 poor 13 63 20 - 4.0-6.3 QD1 LEU 49 - HG LEU 62 far 0 100 0 - 4.8-8.3 QG2 VAL 63 - HG LEU 62 far 0 100 0 - 4.9-6.1 QG1 VAL 118 - HG LEU 62 far 0 93 0 - 5.3-8.1 QD2 LEU 48 - HG LEU 62 far 0 100 0 - 6.3-8.1 QD2 LEU 123 - HG LEU 62 far 0 60 0 - 6.3-9.1 QD1 LEU 48 - HG LEU 62 far 0 97 0 - 6.8-9.7 QG2 VAL 112 - HG LEU 62 far 0 97 0 - 8.2-10.7 QD1 LEU 123 - HG LEU 62 far 0 93 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 1997 from cnoeabs.peaks (7.43, 0.68, 23.19 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.7-4.0 6795=95, 6794/2.1=77...(14) HE22 GLN 104 + QD2 LEU 100 OK 33 65 60 86 2.5-7.2 10078/10974=54...(6) H LEU 62 - QD2 LEU 100 far 7 66 10 - 4.7-6.7 H GLN 61 - QD2 LEU 62 far 5 95 5 - 4.8-6.1 H GLN 61 - QD2 LEU 100 far 0 58 0 - 6.6-8.3 HE22 GLN 104 - QD2 LEU 62 far 0 99 0 - 7.5-11.3 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 9 assignments used, quality = 0.99: * HA LEU 62 + QD2 LEU 62 OK 99 100 100 99 1.9-2.6 1966=63, 1967/2.1=54...(15) HA LEU 62 - QD2 LEU 100 far 10 66 15 - 4.0-5.8 HA LEU 123 - QD2 LEU 62 far 0 100 0 - 5.2-6.5 HD3 PRO 58 - QD2 LEU 62 far 0 68 0 - 5.5-7.3 HA LEU 123 - QD2 LEU 100 far 0 66 0 - 6.1-8.6 HB2 SER 50 - QD2 LEU 62 far 0 99 0 - 6.6-8.4 HD2 PRO 117 - QD2 LEU 62 far 0 93 0 - 9.3-11.9 HB2 SER 50 - QD2 LEU 100 far 0 63 0 - 9.6-12.6 HD3 PRO 58 - QD2 LEU 100 far 0 38 0 - 10.0-11.9 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 15 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.2-3.2 3.1=100 HB2 LEU 62 - QD2 LEU 100 poor 17 66 25 - 3.3-5.7 HB VAL 118 - QD2 LEU 62 far 0 100 0 - 5.1-8.4 HB VAL 118 - QD2 LEU 100 far 0 66 0 - 5.2-6.8 HB3 GLU 55 - QD2 LEU 62 far 0 92 0 - 5.4-8.1 HB2 GLU 102 - QD2 LEU 100 far 0 40 0 - 6.0-7.7 QE MET 11 - QD2 LEU 100 far 0 54 0 - 6.2-35.2 HG3 PRO 58 - QD2 LEU 62 far 0 92 0 - 7.0-8.0 HB2 GLN 127 - QD2 LEU 62 far 0 100 0 - 8.9-11.4 QE MET 11 - QD2 LEU 62 far 0 90 0 - 9.0-34.8 HB2 GLU 102 - QD2 LEU 62 far 0 71 0 - 9.0-12.3 HG3 PRO 113 - QD2 LEU 62 far 0 100 0 - 9.0-11.8 HG2 PRO 117 - QD2 LEU 100 far 0 66 0 - 9.1-10.6 HG2 PRO 117 - QD2 LEU 62 far 0 100 0 - 9.4-11.8 HG3 PRO 58 - QD2 LEU 100 far 0 56 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (1.14, 0.68, 23.19 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-3.1 3.1=100 HB3 LEU 62 + QD2 LEU 100 OK 33 66 80 61 2.6-5.3 1986=22, 11012/2003=21...(6) QG2 THR 115 - QD2 LEU 62 far 0 97 0 - 6.6-9.6 QG2 THR 115 - QD2 LEU 100 far 0 62 0 - 8.4-10.7 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 11 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 119 - QD2 LEU 62 far 7 68 10 - 3.7-6.4 HG LEU 62 - QD2 LEU 100 far 0 66 0 - 5.0-7.2 HB2 LEU 69 - QD2 LEU 100 far 0 47 0 - 5.3-8.9 HB2 LEU 123 - QD2 LEU 62 far 0 100 0 - 5.4-7.6 HG LEU 119 - QD2 LEU 100 far 0 38 0 - 5.5-8.7 HB2 LEU 123 - QD2 LEU 100 far 0 66 0 - 7.1-10.1 HB2 LEU 98 - QD2 LEU 100 far 0 66 0 - 7.6-8.9 HB2 LEU 69 - QD2 LEU 62 far 0 81 0 - 8.1-9.9 HD2 LYS 26 - QD2 LEU 62 far 0 96 0 - 9.6-36.3 HD2 LYS 24 - QD2 LEU 100 far 0 58 0 - 10.0-33.8 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 20 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 56 66 100 84 2.3-3.3 2.1/10974=32...(19) QG1 VAL 118 - QD2 LEU 100 poor 14 57 25 - 3.1-4.4 QD1 LEU 49 - QD2 LEU 62 far 10 100 10 - 2.4-5.7 QD1 LEU 119 - QD2 LEU 62 far 6 63 10 - 2.9-5.8 QD2 LEU 123 - QD2 LEU 62 far 0 60 0 - 3.6-5.9 QD1 LEU 62 - QD2 LEU 100 far 0 66 0 - 3.7-5.8 QD1 LEU 49 - QD2 LEU 100 far 0 66 0 - 3.9-6.9 QD2 LEU 48 - QD2 LEU 62 far 0 100 0 - 4.3-6.2 QG1 VAL 118 - QD2 LEU 62 far 0 93 0 - 4.3-6.9 QD1 LEU 48 - QD2 LEU 62 far 0 97 0 - 4.5-7.5 QG2 VAL 63 - QD2 LEU 62 far 0 100 0 - 5.2-5.5 QD1 LEU 123 - QD2 LEU 62 far 0 93 0 - 5.4-7.0 QD1 LEU 119 - QD2 LEU 100 far 0 35 0 - 5.8-7.7 QD2 LEU 123 - QD2 LEU 100 far 0 33 0 - 6.3-9.2 QD1 LEU 48 - QD2 LEU 100 far 0 62 0 - 6.7-9.9 QD1 LEU 123 - QD2 LEU 100 far 0 57 0 - 6.9-9.7 QD2 LEU 48 - QD2 LEU 100 far 0 65 0 - 7.2-9.2 QG2 VAL 112 - QD2 LEU 62 far 0 97 0 - 7.8-10.3 QG2 VAL 112 - QD2 LEU 100 far 0 62 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 2004 from cnoeabs.peaks (8.20, 0.68, 23.19 ppm; 4.32 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 63 + QD2 LEU 62 OK 100 100 100 100 4.4-4.9 3.6/1998=72, 6808/2.1=67...(8) H VAL 63 + QD2 LEU 100 OK 66 66 100 100 3.4-5.0 2.9/9386=81...(16) H LEU 122 - QD2 LEU 100 far 0 51 0 - 5.4-7.2 H LEU 122 - QD2 LEU 62 far 0 87 0 - 5.9-7.7 H GLN 127 - QD2 LEU 62 far 0 100 0 - 8.1-9.5 H GLN 127 - QD2 LEU 100 far 0 66 0 - 8.3-10.6 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 2.9-3.9 6794/2.1=85, 4.6=78...(15) H GLN 61 - QD1 LEU 62 poor 19 95 20 - 4.4-5.9 HE22 GLN 104 - QD1 LEU 62 far 0 99 0 - 7.0-10.3 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 3.7-4.0 4.1=100 HD3 PRO 58 - QD1 LEU 62 far 3 68 5 - 5.3-7.3 HA LEU 123 - QD1 LEU 62 far 0 100 0 - 5.6-8.4 HD2 PRO 117 - QD1 LEU 62 far 0 93 0 - 8.1-9.6 HB2 SER 50 - QD1 LEU 62 far 0 99 0 - 8.3-10.9 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 10 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.7 3.2=100 HB VAL 118 - QD1 LEU 62 poor 9 100 25 34 4.0-6.2 7648/7649=14...(8) HG3 PRO 58 - QD1 LEU 62 far 0 92 0 - 6.1-8.2 HB3 GLU 55 - QD1 LEU 62 far 0 92 0 - 6.5-8.8 HG3 PRO 113 - QD1 LEU 62 far 0 100 0 - 7.5-10.7 HB2 GLU 102 - QD1 LEU 62 far 0 71 0 - 7.6-11.3 HG2 PRO 117 - QD1 LEU 62 far 0 100 0 - 8.0-9.6 HG3 PRO 117 - QD1 LEU 62 far 0 99 0 - 9.0-10.5 QE MET 11 - QD1 LEU 62 far 0 90 0 - 9.3-35.2 HB2 GLN 127 - QD1 LEU 62 far 0 100 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 2008 from cnoeabs.peaks (1.14, 0.91, 26.02 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.8 3.2=100 QG2 THR 115 - QD1 LEU 62 far 0 97 0 - 4.7-7.7 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 4 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 62 68 100 91 2.0-4.0 ~10992=33, 3.7/10954=29...(22) HB2 LEU 123 - QD1 LEU 62 far 0 100 0 - 5.5-7.9 HB2 LEU 69 - QD1 LEU 62 far 0 81 0 - 9.5-11.4 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 10 100 10 - 3.7-5.8 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 4.0-4.9 6808/2.1=100...(8) H LEU 122 + QD1 LEU 62 OK 66 87 100 76 5.4-7.4 3762/10954=60, ~11008=30...(5) H GLN 127 - QD1 LEU 62 far 0 100 0 - 8.8-11.6 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 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 2014 from cnoeabs.peaks (3.37, 3.37, 66.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 Peak 2015 from cnoeabs.peaks (2.02, 3.37, 66.55 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 11 - HA VAL 63 far 0 85 0 - 6.0-40.9 HG2 PRO 58 - HA VAL 63 far 0 100 0 - 8.8-9.4 HB3 LEU 53 - HA VAL 63 far 0 63 0 - 9.4-14.3 HB3 MET 11 - HA VAL 63 far 0 100 0 - 9.9-45.8 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 9 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 100 100 2.2-2.7 3.2=100 QD1 LEU 103 - HA VAL 63 poor 20 100 20 - 3.0-5.9 QD1 LEU 122 - HA VAL 63 far 11 73 15 - 3.5-6.3 QD2 LEU 122 - HA VAL 63 far 5 100 5 - 4.0-6.5 QD2 LEU 49 - HA VAL 63 far 0 93 0 - 4.3-6.6 QD2 LEU 119 - HA VAL 63 far 0 87 0 - 5.5-9.7 QD1 LEU 96 - HA VAL 63 far 0 97 0 - 5.7-6.9 QD1 LEU 53 - HA VAL 63 far 0 97 0 - 6.3-11.5 QD1 ILE 32 - HA VAL 63 far 0 99 0 - 9.9-23.0 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 7 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 100 100 2.2-2.6 3.2=100 QG1 VAL 118 - HA VAL 63 far 0 97 0 - 5.2-6.7 QD1 LEU 62 - HA VAL 63 far 0 100 0 - 5.6-5.8 QD1 LEU 49 - HA VAL 63 far 0 100 0 - 5.6-8.4 QD1 LEU 48 - HA VAL 63 far 0 95 0 - 7.7-10.4 QD2 LEU 123 - HA VAL 63 far 0 68 0 - 8.2-11.4 QD2 LEU 48 - HA VAL 63 far 0 100 0 - 8.6-10.0 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 3.5-3.6 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 3.0-4.0 6848=61, 9384/9386=60...(19) H ASN 59 - HA VAL 63 far 0 99 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 2020 from cnoeabs.peaks (4.01, 2.02, 31.71 ppm; 4.19 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 60 + HB VAL 63 OK 100 100 100 100 2.3-3.2 1902=100, 10978/2.1=79...(12) HB3 SER 99 - HB3 PRO 117 far 0 43 0 - 6.0-8.4 HA LEU 103 - HB VAL 63 far 0 99 0 - 6.8-9.3 HA LEU 119 - HB3 PRO 117 far 0 35 0 - 7.8-8.2 HA LEU 103 - HB3 PRO 117 far 0 41 0 - 8.6-10.6 HB3 SER 124 - HB3 PRO 117 far 0 30 0 - 8.7-11.4 HA LEU 119 - HB VAL 63 far 0 90 0 - 8.8-10.6 HB2 SER 124 - HB3 PRO 117 far 0 36 0 - 9.1-11.2 HA GLN 68 - HB VAL 63 far 0 90 0 - 9.1-10.6 HB3 SER 99 - HB VAL 63 far 0 100 0 - 9.9-12.3 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 2.2-2.8 6812=100, 6810/2.1=76...(9) H LEU 122 - HB3 PRO 117 far 0 33 0 - 6.7-7.8 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 poor 18 73 25 - 4.9-7.0 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 14 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 15 100 15 - 4.0-6.7 QD2 LEU 119 - HB3 PRO 117 far 0 33 0 - 4.6-8.5 QD1 LEU 122 - HB VAL 63 far 0 73 0 - 5.8-8.5 QD2 LEU 122 - HB VAL 63 far 0 100 0 - 6.3-8.9 QD2 LEU 49 - HB VAL 63 far 0 93 0 - 6.3-8.6 QD2 LEU 119 - HB VAL 63 far 0 87 0 - 6.3-11.3 QD1 LEU 103 - HB3 PRO 117 far 0 43 0 - 6.5-10.4 QD2 LEU 122 - HB3 PRO 117 far 0 43 0 - 7.0-10.2 QD1 LEU 122 - HB3 PRO 117 far 0 26 0 - 7.1-9.8 QD1 LEU 53 - HB VAL 63 far 0 97 0 - 8.0-13.2 QD1 LEU 96 - HB VAL 63 far 0 97 0 - 8.2-9.4 QD1 LEU 53 - HB3 PRO 117 far 0 39 0 - 9.1-11.5 QD1 ILE 32 - HB VAL 63 far 0 99 0 - 9.8-23.6 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 13 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 - HB VAL 63 far 0 100 0 - 5.8-7.1 QG1 VAL 118 - HB3 PRO 117 far 0 39 0 - 5.8-6.2 QG1 VAL 118 - HB VAL 63 far 0 97 0 - 6.8-8.1 QD1 LEU 49 - HB VAL 63 far 0 100 0 - 7.3-10.4 QG2 VAL 112 - HB3 PRO 117 far 0 37 0 - 7.4-12.5 QD1 LEU 62 - HB3 PRO 117 far 0 43 0 - 8.4-9.6 QD2 LEU 123 - HB3 PRO 117 far 0 24 0 - 8.4-11.4 QD1 LEU 48 - HB VAL 63 far 0 95 0 - 8.6-11.0 QD2 LEU 48 - HB VAL 63 far 0 100 0 - 9.2-10.8 QD1 LEU 123 - HB3 PRO 117 far 0 34 0 - 9.4-11.3 QG2 VAL 112 - HB VAL 63 far 0 95 0 - 9.5-13.1 QD1 LEU 22 - HB VAL 63 far 0 90 0 - 9.6-36.7 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 3 assignments used, quality = 1.00: * H ASP 64 + HB VAL 63 OK 100 100 100 100 2.2-2.6 6824=100, 6826/2.1=84...(16) H SER 124 - HB3 PRO 117 far 0 37 0 - 8.9-10.5 H VAL 112 - HB VAL 63 far 0 73 0 - 9.4-13.3 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 3.6-3.8 4.0=99, 6814/2.1=80...(9) H LEU 122 - QG1 VAL 63 far 0 87 0 - 8.9-10.2 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 2.2-2.7 3.2=100 HB2 HIS 67 + QG1 VAL 63 OK 37 73 60 84 2.6-4.6 4.0/9406=39, 1.8/9468=25...(13) 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 4 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 11 - QG1 VAL 63 far 4 85 5 - 3.0-34.5 HB3 MET 11 - QG1 VAL 63 far 0 100 0 - 6.2-38.0 HG2 PRO 58 - QG1 VAL 63 far 0 100 0 - 7.7-8.6 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 10 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 - 5.6-6.5 QD1 LEU 62 - QG1 VAL 63 far 0 100 0 - 6.0-6.7 QD1 LEU 49 - QG1 VAL 63 far 0 100 0 - 6.6-9.0 QD1 LEU 48 - QG1 VAL 63 far 0 95 0 - 7.9-10.0 QD2 LEU 48 - QG1 VAL 63 far 0 100 0 - 8.6-9.9 QD2 LEU 123 - QG1 VAL 63 far 0 68 0 - 8.9-11.7 QG2 VAL 112 - QG1 VAL 63 far 0 95 0 - 9.0-11.6 QD1 LEU 22 - QG1 VAL 63 far 0 90 0 - 9.3-29.6 QG2 VAL 20 - QG1 VAL 63 far 0 85 0 - 9.7-26.0 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 2 assignments used, quality = 1.00: * H ASP 64 + QG1 VAL 63 OK 100 100 100 100 2.4-3.7 4.3=100 H VAL 112 - QG1 VAL 63 far 0 73 0 - 9.7-12.1 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 1.9-2.8 6814=100, 6812/2.1=70...(17) H GLN 127 - QD1 LEU 49 poor 12 58 20 - 3.3-6.9 H VAL 63 - QD1 LEU 49 far 0 58 0 - 5.6-9.0 H LEU 122 - QD1 LEU 49 far 0 45 0 - 6.1-9.2 H LEU 122 - QG2 VAL 63 far 0 87 0 - 7.7-9.1 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 2.2-2.6 3.2=100 HB2 HIS 67 - QG2 VAL 63 far 0 73 0 - 4.7-7.2 HA VAL 63 - QD1 LEU 49 far 0 58 0 - 5.6-8.4 HB3 TYR 72 - QD1 LEU 49 far 0 33 0 - 5.8-10.0 HB2 HIS 67 - QD1 LEU 49 far 0 36 0 - 6.6-10.6 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 11 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 53 - QD1 LEU 49 poor 9 30 30 - 3.6-8.7 QE MET 11 - QG2 VAL 63 far 0 85 0 - 4.7-34.8 HB ILE 129 - QD1 LEU 49 far 0 43 0 - 5.7-8.7 HG2 PRO 58 - QG2 VAL 63 far 0 100 0 - 6.1-7.2 HB2 GLU 44 - QD1 LEU 49 far 0 58 0 - 7.2-10.2 HB VAL 63 - QD1 LEU 49 far 0 58 0 - 7.3-10.4 HB3 MET 11 - QG2 VAL 63 far 0 100 0 - 8.3-39.9 HG2 PRO 58 - QD1 LEU 49 far 0 57 0 - 8.4-11.8 HB3 GLU 55 - QD1 LEU 49 far 0 42 0 - 8.5-12.0 HB3 LEU 53 - QG2 VAL 63 far 0 63 0 - 8.7-12.9 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 20 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QG2 VAL 63 OK 59 100 65 91 1.7-4.0 2.1/11822=23...(31) QD2 LEU 49 + QD1 LEU 49 OK 50 50 100 100 1.9-2.1 2.1=100 QD1 LEU 53 - QD1 LEU 49 poor 14 53 45 57 1.9-7.2 1674/3.2=11, 1552/3.2=10...(18) QD1 LEU 122 - QD1 LEU 49 poor 11 36 30 - 2.4-5.9 QD2 LEU 122 - QD1 LEU 49 far 9 58 15 - 2.4-6.6 QD1 LEU 96 - QD1 LEU 49 far 5 53 10 - 3.5-5.4 QD1 LEU 122 - QG2 VAL 63 far 0 73 0 - 3.8-6.0 QD2 LEU 122 - QG2 VAL 63 far 0 100 0 - 4.1-6.8 QD2 LEU 119 - QG2 VAL 63 far 0 87 0 - 4.2-8.0 QD2 LEU 49 - QG2 VAL 63 far 0 93 0 - 5.2-7.4 QD2 LEU 119 - QD1 LEU 49 far 0 45 0 - 5.8-9.2 QD1 LEU 53 - QG2 VAL 63 far 0 97 0 - 6.0-10.7 QD1 LEU 103 - QD1 LEU 49 far 0 58 0 - 6.1-8.8 QD1 LEU 96 - QG2 VAL 63 far 0 97 0 - 6.3-7.5 QD2 LEU 43 - QD1 LEU 49 far 0 30 0 - 6.6-9.1 QG1 VAL 63 - QD1 LEU 49 far 0 58 0 - 6.6-9.0 QD1 ILE 32 - QD1 LEU 49 far 0 57 0 - 7.5-19.6 QD1 ILE 37 - QD1 LEU 49 far 0 58 0 - 8.6-12.5 QD1 ILE 32 - QG2 VAL 63 far 0 99 0 - 9.7-20.9 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 3.4-4.0 4.4=100 H SER 51 + QD1 LEU 49 OK 29 34 85 98 4.4-6.3 ~6619=40, 6610/4.7=39...(19) H SER 124 - QD1 LEU 49 far 8 51 15 - 5.2-8.9 H ASP 64 - QD1 LEU 49 far 0 58 0 - 6.1-9.5 H VAL 112 - QG2 VAL 63 far 0 73 0 - 7.2-9.5 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 2.7-2.8 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 - 7.7-10.3 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 3 assignments used, quality = 1.00: * H THR 65 + HA ASP 64 OK 100 100 100 100 3.4-3.6 3.6=100 H LYS 26 - HA ASP 64 far 0 97 0 - 7.8-32.3 H GLN 27 - HA ASP 64 far 0 99 0 - 9.6-30.3 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 3.2-4.3 6861=71, 3.8/2046=61...(10) H SER 60 - HA ASP 64 far 0 97 0 - 8.0-9.1 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 2.6-4.3 2102=100, 1.8/2046=89...(9) HA VAL 63 + HA ASP 64 OK 73 73 100 100 4.7-4.9 4.9=79, 3.2/10980=70...(24) 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 2.4-4.2 2110=99, 1.8/2102=80...(9) Violated in 0 structures by 0.00 A. Peak 2047 from cnoeabs.peaks (4.28, 2.75, 39.83 ppm; 4.28 A): 1 out of 18 assignments used, quality = 1.00: * HA GLN 61 + HB2 ASP 64 OK 100 100 100 100 2.9-5.0 1923=97, 2053/1.8=89...(5) HA LYS 36 - HB3 ASP 35 poor 19 64 30 - 4.2-5.5 HA THR 25 - HB3 ASP 35 far 0 61 0 - 5.2-23.2 HA ARG 23 - HB3 ASP 35 far 0 64 0 - 5.5-24.8 HA ALA 16 - HB3 ASP 35 far 0 64 0 - 6.1-31.5 HA THR 25 - HB2 ASP 64 far 0 97 0 - 6.4-35.1 HA SER 74 - HB3 ASP 78 far 0 78 0 - 6.6-9.4 HA LYS 19 - HB3 ASP 35 far 0 56 0 - 7.4-25.7 HA LYS 26 - HB2 ASP 64 far 0 96 0 - 8.0-33.9 HA ALA 21 - HB3 ASP 35 far 0 62 0 - 8.0-30.7 HA LYS 26 - HB3 ASP 35 far 0 59 0 - 8.1-20.0 HA LYS 31 - HB3 ASP 35 far 0 65 0 - 8.2-10.6 HA LEU 22 - HB3 ASP 35 far 0 57 0 - 8.5-29.0 HA ALA 15 - HB3 ASP 78 far 0 83 0 - 8.9-43.3 HA ALA 15 - HB3 ASP 35 far 0 65 0 - 9.4-33.6 HA THR 18 - HB3 ASP 35 far 0 60 0 - 9.5-28.5 HA ALA 16 - HB3 ASP 78 far 0 82 0 - 9.6-41.4 HA PHE 87 - HB3 ASP 78 far 0 70 0 - 9.7-11.6 Violated in 2 structures by 0.07 A. Peak 2048 from cnoeabs.peaks (7.96, 2.75, 39.83 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.98: * H ASP 64 + HB2 ASP 64 OK 98 100 100 98 2.7-3.0 3.9=91, 6837/4.6=41...(6) H ILE 37 - HB3 ASP 35 far 0 62 0 - 5.7-6.3 H SER 38 - HB3 ASP 35 far 0 42 0 - 6.2-10.2 H THR 18 - HB3 ASP 35 far 0 56 0 - 9.3-28.4 Violated in 0 structures by 0.00 A. Peak 2049 from cnoeabs.peaks (4.46, 2.75, 39.83 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 100 100 2.3-3.0 3.0=100 HA PRO 58 - HB2 ASP 64 far 0 100 0 - 9.8-11.5 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 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 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 97 100 100 97 2.4-4.2 6840/1.8=63, 4.6=53...(9) H ASP 35 + HB3 ASP 35 OK 64 64 100 100 2.2-3.6 6383/1.8=90, 4.0=78...(7) H LYS 26 - HB2 ASP 64 far 0 97 0 - 5.5-33.9 H LYS 26 - HB3 ASP 35 far 0 61 0 - 6.4-20.8 H LYS 24 - HB3 ASP 35 far 0 60 0 - 7.6-26.0 H GLN 27 - HB3 ASP 35 far 0 62 0 - 7.8-17.7 H GLN 27 - HB2 ASP 64 far 0 99 0 - 8.5-31.7 H SER 74 - HB3 ASP 78 far 0 48 0 - 8.7-10.6 H LYS 24 - HB2 ASP 64 far 0 97 0 - 9.1-35.5 H ASP 35 - HB3 ASP 78 far 0 82 0 - 9.9-17.0 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 5 assignments used, quality = 1.00: * HA GLN 61 + HB3 ASP 64 OK 100 100 100 100 3.2-4.1 1924=100, 2047/1.8=88...(5) HA THR 25 - HB3 ASP 64 far 0 97 0 - 6.7-35.2 HA LYS 26 - HB3 ASP 64 far 0 96 0 - 8.4-33.8 HA ALA 15 - HB3 ASP 64 far 0 100 0 - 9.1-42.7 HA ARG 23 - HB3 ASP 64 far 0 100 0 - 9.5-35.0 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 2.2-2.4 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 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (2.75, 2.80, 39.83 ppm; 2.95 A): 1 out of 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 4 assignments used, quality = 1.00: * H THR 65 + HB3 ASP 64 OK 100 100 100 100 2.9-4.0 6840=100, 6837/3.9=63...(9) H LYS 26 - HB3 ASP 64 far 0 97 0 - 6.1-34.0 H LYS 24 - HB3 ASP 64 far 0 97 0 - 8.4-36.0 H GLN 27 - HB3 ASP 64 far 0 99 0 - 8.8-31.8 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 2 assignments used, quality = 1.00: * H THR 65 + HA THR 65 OK 100 100 100 100 2.8-2.9 2.9=100 H LYS 26 - HA THR 65 far 0 97 0 - 8.0-33.3 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 2.9-3.0 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 2.0-2.5 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 3.4-3.6 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 3.2-4.3 3.7/2140=64, 6877/3.6=61...(17) Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (2.22, 3.97, 66.53 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.99: HG2 GLN 68 + HA THR 65 OK 95 96 100 100 1.9-4.9 1.8/11023=57...(19) * HB2 GLN 68 + HA THR 65 OK 90 100 90 99 2.2-5.6 1.8/2140=59...(18) HB3 GLN 104 - HA THR 65 far 0 100 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (2.18, 3.97, 66.53 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HA THR 65 OK 100 100 100 100 3.2-5.4 2140=84, 3.0/11023=58...(19) HB3 LEU 69 + HA THR 65 OK 23 95 25 98 5.1-8.5 9443/2074=79, ~11055=32...(16) Violated in 4 structures by 0.07 A. Peak 2067 from cnoeabs.peaks (3.85, 4.07, 67.84 ppm; 5.22 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 62 + HB THR 65 OK 100 100 100 100 2.5-3.6 1970=100, 10993/2.1=93...(11) HA LEU 123 - HB THR 65 far 0 100 0 - 7.3-9.3 HB2 SER 50 - HB THR 65 far 0 99 0 - 8.4-11.0 HD3 PRO 58 - HB THR 65 far 0 68 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (8.38, 4.07, 67.84 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H THR 65 + HB THR 65 OK 100 100 100 100 2.5-3.1 4.0=100 H LYS 26 - HB THR 65 far 0 97 0 - 9.2-36.1 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 2.9-3.0 3.0=100 HA SER 50 - HB THR 65 far 0 68 0 - 7.4-9.5 HB2 SER 51 - HB THR 65 far 0 63 0 - 7.5-9.9 HA GLN 68 - HB THR 65 far 0 76 0 - 7.6-8.7 HA LEU 100 - HB THR 65 far 0 98 0 - 8.4-9.5 HB3 SER 51 - HB THR 65 far 0 97 0 - 8.4-10.0 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 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (8.90, 4.07, 67.84 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + HB THR 65 OK 100 100 100 100 2.2-3.1 4.5=100 H ASN 59 - HB THR 65 far 0 99 0 - 9.8-11.4 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 4 assignments used, quality = 1.00: * H THR 65 + QG2 THR 65 OK 100 100 100 100 3.7-3.8 4.0=100 H LYS 26 - QG2 THR 65 far 0 97 0 - 7.6-29.5 H GLN 27 - QG2 THR 65 far 0 99 0 - 9.9-27.7 H SER 74 - QG2 THR 65 far 0 65 0 - 9.9-11.8 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 2.0-2.5 3.2=100 HB2 SER 51 - QG2 THR 65 far 0 63 0 - 5.2-8.0 HA GLN 68 - QG2 THR 65 far 0 76 0 - 5.9-7.2 HA SER 50 - QG2 THR 65 far 0 68 0 - 6.0-7.1 HB3 SER 51 - QG2 THR 65 far 0 97 0 - 6.0-7.3 HA GLN 127 - QG2 THR 65 far 0 100 0 - 7.5-9.5 HA LEU 100 - QG2 THR 65 far 0 98 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 2075 from cnoeabs.peaks (4.07, 1.23, 22.77 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 44 - QG2 THR 65 far 0 89 0 - 6.9-8.0 HA LEU 122 - QG2 THR 65 far 0 90 0 - 7.8-10.1 HA LEU 96 - QG2 THR 65 far 0 73 0 - 9.0-10.8 HA GLN 104 - QG2 THR 65 far 0 76 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (1.23, 1.23, 22.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + QG2 THR 65 OK 100 100 - 100 Peak 2077 from cnoeabs.peaks (8.90, 1.23, 22.77 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + QG2 THR 65 OK 100 100 100 100 3.0-4.2 4.4=100 H ASN 59 - QG2 THR 65 far 0 99 0 - 10.0-11.4 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 2.7-2.9 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 3.5-3.6 3.6=100 H HIS 67 + HA3 GLY 66 OK 99 99 100 100 2.6-3.0 3.6=100 H SER 50 + HA2 GLY 66 OK 24 100 35 69 6.9-8.7 1579/9208=36...(4) H SER 50 - HA3 GLY 66 far 0 99 0 - 7.9-9.8 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 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 99 99 - 100 Reference assignment not found: HA2 GLY 66 - HA3 GLY 66 Peak 2087 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 98 98 - 100 Peak 2088 from cnoeabs.peaks (8.65, 3.63, 47.55 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * H HIS 67 + HA3 GLY 66 OK 100 100 100 100 2.6-3.0 3.6=100 H HIS 67 + HA2 GLY 66 OK 99 99 100 100 3.5-3.6 3.6=100 H SER 50 + HA2 GLY 66 OK 24 99 35 69 6.9-8.7 1579/9208=36...(4) H SER 50 - HA3 GLY 66 far 0 100 0 - 7.9-9.8 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 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (4.22, 4.22, 58.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 67 + HA HIS 67 OK 100 100 - 100 Peak 2094 from cnoeabs.peaks (3.34, 4.22, 58.98 ppm; 4.03 A): 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 - 5.1-6.2 HB3 CYS 73 - HA HIS 67 far 0 81 0 - 7.4-9.8 HB3 TYR 72 - HA HIS 67 far 0 100 0 - 7.8-8.8 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 2.6-3.0 3.0=100 HA VAL 126 - HA HIS 67 far 0 63 0 - 9.0-11.2 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 = 1.00: * HD2 HIS 67 + HA HIS 67 OK 100 100 100 100 2.1-3.3 5501=87, 6870/2.9=56...(9) QD TYR 72 - HA HIS 67 far 0 100 0 - 7.3-8.2 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 3.4-3.6 3.6=100 H GLU 102 - HA HIS 67 far 0 95 0 - 8.5-10.1 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 3 assignments used, quality = 1.00: * H LEU 70 + HA HIS 67 OK 100 100 100 100 3.1-4.2 6936=100, 3.6/6916=59...(19) H LEU 100 - HA HIS 67 far 0 78 0 - 6.8-8.2 H ALA 12 - HA HIS 67 far 0 81 0 - 8.6-42.8 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 3 assignments used, quality = 1.00: * HB2 LEU 70 + HA HIS 67 OK 100 100 100 100 2.6-5.0 3.2/9462=69...(23) HB3 LEU 70 + HA HIS 67 OK 90 100 90 100 2.1-5.6 3.2/9462=69...(24) HG LEU 98 - HA HIS 67 far 0 100 0 - 9.8-12.4 Violated in 3 structures by 0.05 A. Peak 2101 from cnoeabs.peaks (1.71, 4.22, 58.98 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 70 + HA HIS 67 OK 100 100 100 100 2.6-5.0 3.2/9462=69...(23) * HB3 LEU 70 + HA HIS 67 OK 90 100 90 100 2.1-5.6 3.2/9462=69...(24) HG LEU 98 - HA HIS 67 far 0 100 0 - 9.8-12.4 Violated in 3 structures by 0.05 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 2.6-4.3 2046/1.8=99, 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 2.1-3.4 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 4 assignments used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 HA ALA 29 - HB2 HIS 67 far 0 97 0 - 7.3-23.1 HA ALA 28 - HB2 HIS 67 far 0 83 0 - 7.8-26.4 HB THR 25 - HB2 HIS 67 far 0 90 0 - 9.9-32.2 Violated in 0 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (3.34, 3.34, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 67 + HB2 HIS 67 OK 100 100 - 100 Peak 2106 from cnoeabs.peaks (3.41, 3.34, 27.78 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB2 HIS 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (7.15, 3.34, 27.78 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.9-4.0 4.0=100 QD TYR 72 - HB2 HIS 67 far 0 100 0 - 7.5-9.3 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (7.86, 3.34, 27.78 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB2 HIS 67 OK 100 100 100 100 2.3-3.8 4.4=100 H GLU 102 - HB2 HIS 67 far 0 95 0 - 8.9-11.9 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 2.4-4.2 2046=100, 2102/1.8=96...(9) Violated in 0 structures by 0.00 A. Peak 2111 from cnoeabs.peaks (8.65, 3.41, 27.78 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.1-3.5 3.8=100 H SER 60 - HB3 HIS 67 far 0 97 0 - 9.9-12.3 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 4 assignments used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.6-3.0 3.0=100 HA ALA 28 - HB3 HIS 67 far 0 83 0 - 8.8-27.7 HA ALA 29 - HB3 HIS 67 far 0 97 0 - 8.9-23.1 HA VAL 105 - HB3 HIS 67 far 0 65 0 - 9.2-13.5 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 poor 18 73 35 69 3.8-6.5 4.9/2046=24, 3.2/9468=21...(8) HB3 TYR 72 - HB3 HIS 67 far 0 100 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (3.41, 3.41, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB3 HIS 67 OK 100 100 - 100 Peak 2115 from cnoeabs.peaks (7.15, 3.41, 27.78 ppm; 6.72 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 QD TYR 72 - HB3 HIS 67 far 5 100 5 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (7.86, 3.41, 27.78 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 HIS 67 OK 100 100 100 100 2.4-3.9 4.4=100 H GLU 102 - HB3 HIS 67 far 0 95 0 - 8.8-11.7 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 2.7-2.9 2.9=100 H ALA 88 - HA GLU 91 far 0 79 0 - 6.7-7.2 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 8 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 68 + HA GLN 68 OK 96 96 100 100 2.6-3.8 3.7=100 HG2 GLU 91 + HA GLU 91 OK 78 78 100 100 3.7-3.9 3.9=100 HB3 GLU 128 - HA GLU 91 far 0 79 0 - 8.1-10.5 HB3 LEU 96 - HA GLU 91 far 0 66 0 - 8.1-9.6 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 8.8-12.3 HB3 GLN 104 - HA GLN 68 far 0 100 0 - 9.4-13.7 HB3 GLU 97 - HA GLU 91 far 0 81 0 - 9.5-11.4 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 2.3-3.0 3.0=100 HB3 LEU 69 - HA GLN 68 far 0 95 0 - 5.5-6.6 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 8 assignments used, quality = 1.00: * HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.6-3.8 3.7=100 HB2 GLN 68 + HA GLN 68 OK 96 96 100 100 2.3-3.0 3.0=100 HG2 GLU 91 + HA GLU 91 OK 80 80 100 100 3.7-3.9 3.9=98, 1.8/2884=74...(14) HB3 GLU 128 - HA GLU 91 far 0 79 0 - 8.1-10.5 HB3 LEU 96 - HA GLU 91 far 0 80 0 - 8.1-9.6 HB3 GLU 97 - HA GLN 68 far 0 92 0 - 8.8-12.3 HB3 GLN 104 - HA GLN 68 far 0 98 0 - 9.4-13.7 HB3 GLU 97 - HA GLU 91 far 0 69 0 - 9.5-11.4 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 3.4-3.9 3.7=100 HB VAL 77 - HA GLU 91 far 0 75 0 - 8.5-10.0 HG2 GLN 27 - HA GLN 68 far 0 60 0 - 9.8-25.3 Violated in 8 structures by 0.02 A. Peak 2124 from cnoeabs.peaks (6.86, 3.99, 58.83 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HA GLN 68 OK 100 100 100 100 4.1-5.9 5.2=100 HE21 GLN 61 - HA GLN 68 far 0 78 0 - 10.0-15.3 Violated in 2 structures by 0.03 A. Peak 2126 from cnoeabs.peaks (8.30, 3.99, 58.83 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 69 + HA GLN 68 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 72 + HA GLN 68 OK 71 76 95 99 3.8-5.5 3.4/6956=59, 4.6/2129=50...(14) H LEU 96 - HA GLU 91 far 0 52 0 - 6.8-7.6 H LEU 49 - HA GLN 68 far 0 100 0 - 9.5-11.1 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 4 assignments used, quality = 1.00: * H ASP 71 + HA GLN 68 OK 100 100 100 100 3.3-4.2 6956=82, 6968/2129=56...(15) H GLU 91 + HA GLU 91 OK 73 73 100 100 2.7-2.8 2.9=100 H PHE 87 - HA GLU 91 far 0 59 0 - 8.0-8.5 H ILE 32 - HA GLN 68 far 0 100 0 - 8.4-17.1 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 2.4-4.3 2284=100, 1.8/2129=89...(14) Violated in 0 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (2.81, 3.99, 58.83 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 71 + HA GLN 68 OK 100 100 100 100 2.4-4.5 2290=91, 1.8/2128=76...(13) HB3 ASP 64 - HA GLN 68 far 0 96 0 - 7.8-9.6 Violated in 9 structures by 0.14 A. Peak 2130 from cnoeabs.peaks (3.97, 2.22, 28.25 ppm; 4.32 A): 4 out of 16 assignments used, quality = 0.99: * HA THR 65 + HB2 GLN 68 OK 95 100 95 100 2.2-5.6 2066/1.8=58...(18) HA GLN 68 + HB2 GLN 68 OK 76 76 100 100 2.3-3.0 3.0=100 HB3 SER 106 + HB3 GLU 102 OK 37 58 85 75 2.2-7.5 ~11473=25...(11) HB2 SER 106 + HB3 GLU 102 OK 25 60 65 63 2.5-8.0 11473/1.8=30, ~11473=17...(10) HA LEU 100 - HB3 GLU 102 far 3 57 5 - 5.0-7.5 HB2 SER 124 - HB3 GLU 128 far 0 60 0 - 5.5-7.7 HA GLN 127 - HB3 GLU 128 far 0 92 0 - 5.5-6.6 HA LEU 100 - HB2 GLN 101 far 0 48 0 - 6.0-6.6 HB3 SER 107 - HB3 GLU 102 far 0 56 0 - 6.1-11.3 HD3 PRO 117 - HB3 GLU 102 far 0 47 0 - 6.4-9.7 HB3 SER 106 - HB2 GLN 101 far 0 48 0 - 6.8-11.1 HA3 GLY 111 - HB3 GLU 102 far 0 36 0 - 7.3-16.9 HB2 SER 106 - HB2 GLN 101 far 0 50 0 - 7.9-10.7 HA GLU 91 - HB3 GLU 128 far 0 87 0 - 8.1-10.5 HB3 SER 94 - HB3 GLU 128 far 0 92 0 - 9.3-13.3 HB3 SER 107 - HB2 GLN 101 far 0 47 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (7.86, 2.22, 28.25 ppm; 4.00 A): 4 out of 7 assignments used, quality = 1.00: * H GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.1-3.6 3.7=100 H GLU 128 + HB3 GLU 128 OK 69 69 100 100 2.1-3.6 3.6=100 H GLU 102 + HB3 GLU 102 OK 53 53 100 100 2.2-3.6 3.8=100 H GLU 102 + HB2 GLN 101 OK 44 44 100 100 3.8-4.4 7449/1.8=79, 3.1/7417=64...(18) H ALA 88 - HB3 GLU 128 far 0 90 0 - 8.5-11.1 H ALA 41 - HB2 GLN 68 far 0 65 0 - 9.5-12.9 H GLN 68 - HB2 GLN 101 far 0 51 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (3.99, 2.22, 28.25 ppm; 4.24 A): 4 out of 19 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA THR 65 + HB2 GLN 68 OK 71 76 95 99 2.2-5.6 2066/1.8=36...(18) HA LEU 103 + HB3 GLU 102 OK 38 39 100 97 4.3-4.8 3.0/7469=64, ~7468=43...(13) HB3 SER 106 + HB3 GLU 102 OK 27 51 85 63 2.2-7.5 ~11473=24...(10) HB2 SER 106 - HB3 GLU 102 poor 20 33 60 - 2.5-8.0 HB3 SER 99 - HB3 GLU 102 far 3 54 5 - 3.9-7.5 HB2 SER 124 - HB3 GLU 128 far 0 92 0 - 5.5-7.7 HA GLN 127 - HB3 GLU 128 far 0 62 0 - 5.5-6.6 HB3 SER 106 - HB2 GLN 101 far 0 42 0 - 6.8-11.1 HA ILE 37 - HB2 GLN 68 far 0 65 0 - 7.6-11.6 HA LEU 103 - HB2 GLN 101 far 0 32 0 - 7.6-8.5 HB2 SER 106 - HB2 GLN 101 far 0 27 0 - 7.9-10.7 HA GLU 91 - HB3 GLU 128 far 0 83 0 - 8.1-10.5 HB3 SER 99 - HB2 GLN 101 far 0 45 0 - 8.3-9.2 HA ARG 135 - HB3 GLU 128 far 0 62 0 - 8.9-13.1 HA LYS 95 - HB3 GLU 102 far 0 34 0 - 9.3-12.6 HB3 SER 94 - HB3 GLU 128 far 0 69 0 - 9.3-13.3 HA LYS 95 - HB3 GLU 128 far 0 57 0 - 9.4-11.6 HA LYS 95 - HB2 GLN 101 far 0 28 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (2.22, 2.22, 28.25 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 68 + HB2 GLN 68 OK 100 100 - 100 HB3 GLU 128 + HB3 GLU 128 OK 90 90 - 100 HB3 GLU 102 + HB3 GLU 102 OK 56 56 - 100 HB2 GLN 101 + HB2 GLN 101 OK 44 44 - 100 Peak 2134 from cnoeabs.peaks (2.18, 2.22, 28.25 ppm; 2.72 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 69 - HB2 GLN 68 far 0 95 0 - 4.7-7.2 HB2 GLN 104 - HB2 GLN 101 far 0 46 0 - 5.9-7.9 HB2 GLN 101 - HB3 GLU 102 far 0 31 0 - 6.3-7.5 HB2 GLN 104 - HB3 GLU 102 far 0 55 0 - 7.6-9.5 HB3 LEU 69 - HB3 GLU 128 far 0 83 0 - 8.7-13.5 HB VAL 133 - HB3 GLU 128 far 0 84 0 - 9.7-11.8 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 6 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 - 4.9-7.2 HB3 GLN 134 - HB3 GLU 128 far 0 90 0 - 8.8-12.6 HG2 GLN 27 - HB2 GLN 68 far 0 60 0 - 9.1-26.0 HG2 GLU 44 - HB2 GLN 68 far 0 93 0 - 9.7-12.8 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 4 assignments used, quality = 1.00: * HE21 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.9-4.3 4.6=100 HD21 ASN 121 - HB3 GLU 102 poor 11 45 25 - 6.2-9.4 HE21 GLN 61 - HB2 GLN 68 far 0 78 0 - 7.4-14.1 HD21 ASN 121 - HB2 GLN 101 far 0 37 0 - 9.9-14.9 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 6 assignments used, quality = 1.00: * HE22 GLN 68 + HB2 GLN 68 OK 100 100 100 100 3.3-4.7 4.6=100 HD22 ASN 121 - HB3 GLU 102 far 2 44 5 - 4.8-9.6 H VAL 118 - HB3 GLU 102 far 0 60 0 - 6.0-9.1 H LEU 98 - HB2 GLN 101 far 0 31 0 - 6.3-7.1 H LEU 98 - HB3 GLU 102 far 0 37 0 - 7.5-10.1 HD22 ASN 121 - HB2 GLN 101 far 0 36 0 - 9.9-13.8 Violated in 1 structures by 0.00 A. Peak 2139 from cnoeabs.peaks (8.30, 2.22, 28.25 ppm; 4.15 A): 1 out of 12 assignments used, quality = 1.00: * H LEU 69 + HB2 GLN 68 OK 100 100 100 100 2.5-4.0 4.4=82, 6893/3.7=57...(20) H TYR 72 - HB2 GLN 68 far 4 76 5 - 5.0-7.2 H SER 99 - HB3 GLU 102 far 3 58 5 - 5.0-7.9 H ASP 131 - HB3 GLU 128 far 3 52 5 - 5.0-5.7 H VAL 126 - HB3 GLU 128 far 0 89 0 - 5.1-7.3 H SER 99 - HB2 GLN 101 far 0 49 0 - 6.5-7.4 H LEU 49 - HB2 GLN 68 far 0 100 0 - 7.2-9.7 H LEU 96 - HB3 GLU 128 far 0 62 0 - 7.3-9.5 H GLY 111 - HB3 GLU 102 far 0 60 0 - 7.4-15.6 H ALA 110 - HB3 GLU 102 far 0 61 0 - 8.4-15.2 H LEU 43 - HB2 GLN 68 far 0 97 0 - 8.9-12.0 H LEU 96 - HB2 GLN 101 far 0 31 0 - 9.8-11.1 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 = 0.99: * HA THR 65 + HB3 GLN 68 OK 95 100 95 100 3.2-5.4 2066=76, 11023/3.0=55...(19) HA GLN 68 + HB3 GLN 68 OK 76 76 100 100 2.3-3.0 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 2 assignments used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.7 3.7=100 H ALA 41 - HB3 GLN 68 far 0 65 0 - 9.8-13.4 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 4 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA THR 65 + HB3 GLN 68 OK 72 76 95 99 3.2-5.4 2066=48, 11023/3.0=35...(19) HA ILE 37 - HB3 GLN 68 far 0 65 0 - 6.7-11.7 HA SER 60 - HB3 GLN 68 far 0 90 0 - 9.7-13.1 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 3 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 98 2.4-3.0 3.0=76, 2151/3.0=29...(17) HB3 GLN 104 - HB3 GLN 68 far 0 100 0 - 9.5-13.5 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 3 assignments used, quality = 1.00: * HG2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 68 + HB3 GLN 68 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 GLN 104 - HB3 GLN 68 far 0 98 0 - 9.5-13.5 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 2.2-3.0 3.0=100 HG2 GLN 27 - HB3 GLN 68 far 0 60 0 - 8.4-26.3 Violated in 0 structures by 0.00 A. Peak 2147 from cnoeabs.peaks (6.86, 2.18, 28.25 ppm; 6.45 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.9-4.6 4.6=100 HE21 GLN 61 - HB3 GLN 68 far 0 78 0 - 8.8-13.6 Violated in 0 structures by 0.00 A. Peak 2148 from cnoeabs.peaks (7.76, 2.18, 28.25 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HB3 GLN 68 OK 100 100 100 100 3.4-5.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 2149 from cnoeabs.peaks (8.30, 2.18, 28.25 ppm; 4.54 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 69 + HB3 GLN 68 OK 100 100 100 100 2.1-4.2 4.4=100 H TYR 72 + HB3 GLN 68 OK 22 76 30 97 4.7-7.4 ~6956=31, 6.5/9550=29...(19) H LEU 49 - HB3 GLN 68 far 0 100 0 - 6.5-9.8 H ALA 28 - HB3 GLN 68 far 0 63 0 - 9.3-24.7 H LEU 43 - HB3 GLN 68 far 0 97 0 - 9.6-12.7 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 1 assignment used, quality = 1.00: * H GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-4.5 6890/1.8=80, 2.9/2151=66...(19) Violated in 1 structures by 0.03 A. Peak 2151 from cnoeabs.peaks (3.99, 2.23, 33.86 ppm; 3.54 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.6-3.8 3.7=87, 2123/1.8=72...(24) HA THR 65 + HG2 GLN 68 OK 68 76 95 95 1.9-4.9 3.2/9479=32, 2140/3.0=26...(17) HA ILE 37 - HG2 GLN 68 far 0 65 0 - 7.9-12.2 HA SER 60 - HG2 GLN 68 far 0 90 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 2152 from cnoeabs.peaks (2.22, 2.23, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HG2 GLN 68 + HG2 GLN 68 OK 96 96 - 100 Reference assignment not found: HB2 GLN 68 - HG2 GLN 68 Peak 2153 from cnoeabs.peaks (2.18, 2.23, 33.86 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 69 + HG2 GLN 68 OK 75 95 80 100 2.9-7.0 3.7/2158=51, ~11022=50...(31) 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 1 assignment used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.2-3.5 3.5=100 HE21 GLN 61 - HG2 GLN 68 far 0 78 0 - 7.4-12.0 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (7.76, 2.23, 33.86 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HG2 GLN 68 OK 100 100 100 100 3.5-4.1 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 2.0-4.3 6922/1.8=76, 3.6/2151=72...(25) H TYR 72 - HG2 GLN 68 far 4 76 5 - 5.4-7.1 H LEU 49 - HG2 GLN 68 far 0 100 0 - 6.0-9.4 H LEU 43 - HG2 GLN 68 far 0 97 0 - 9.0-12.4 H VAL 126 - HG2 GLN 68 far 0 99 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 2159 from cnoeabs.peaks (7.86, 2.32, 33.86 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.5-4.3 6890=100, 2150/1.8=75...(15) H ALA 41 - HG3 GLN 68 far 0 65 0 - 8.9-12.8 Violated in 7 structures by 0.05 A. Peak 2160 from cnoeabs.peaks (3.99, 2.32, 33.86 ppm; 3.66 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 68 + HG3 GLN 68 OK 100 100 100 100 3.4-3.9 2123=100, 2151/1.8=75...(19) HA THR 65 + HG3 GLN 68 OK 54 76 75 96 1.9-5.1 3.2/11016=40...(14) HA ILE 37 - HG3 GLN 68 far 0 65 0 - 6.4-12.2 Violated in 2 structures by 0.00 A. Peak 2161 from cnoeabs.peaks (2.22, 2.32, 33.86 ppm; 2.80 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 68 + HG3 GLN 68 OK 97 100 100 97 2.3-3.0 3.0=82, 3.0/2123=33...(14) HG2 GLN 68 + HG3 GLN 68 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 GLU 97 - HG3 GLN 68 far 0 100 0 - 9.5-13.1 HB3 LEU 96 - HG3 GLN 68 far 0 89 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2162 from cnoeabs.peaks (2.18, 2.32, 33.86 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 69 + HG3 GLN 68 OK 50 95 55 96 2.8-6.6 1.8/11022=35...(26) Violated in 0 structures by 0.00 A. Peak 2163 from cnoeabs.peaks (2.23, 2.32, 33.86 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 68 + HG3 GLN 68 OK 86 96 100 90 2.3-3.0 3.0=58, 3.0/2123=25...(14) HB3 GLU 97 - HG3 GLN 68 far 0 92 0 - 9.5-13.1 HB3 LEU 96 - HG3 GLN 68 far 0 100 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (2.32, 2.32, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 68 + HG3 GLN 68 OK 100 100 - 100 Peak 2165 from cnoeabs.peaks (6.86, 2.32, 33.86 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-3.5 3.5=100 HE21 GLN 61 - HG3 GLN 68 far 0 78 0 - 7.8-12.9 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (7.76, 2.32, 33.86 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HG3 GLN 68 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (8.30, 2.32, 33.86 ppm; 5.22 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 69 + HG3 GLN 68 OK 100 100 100 100 1.9-3.6 6922=100, 2158/1.8=93...(19) H TYR 72 + HG3 GLN 68 OK 67 76 90 98 5.0-7.2 4.5/9482=60...(12) H LEU 49 - HG3 GLN 68 far 0 100 0 - 6.2-7.8 H LEU 43 - HG3 GLN 68 far 0 97 0 - 7.9-11.4 H VAL 126 - HG3 GLN 68 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (8.30, 4.33, 58.25 ppm; 5.80 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 100 100 2.8-2.9 2.9=100 H TYR 72 + HA LEU 69 OK 76 76 100 100 3.1-3.7 3.8/2178=78...(25) H LEU 43 - HA LEU 69 far 0 97 0 - 7.1-8.1 H LEU 49 - HA LEU 69 far 0 100 0 - 7.4-9.0 H VAL 126 - HA LEU 69 far 0 99 0 - 8.8-10.8 H LEU 96 - HA LEU 69 far 0 73 0 - 9.4-11.9 H ASP 131 - HA LEU 69 far 0 63 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2169 from cnoeabs.peaks (4.33, 4.33, 58.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 Peak 2170 from cnoeabs.peaks (1.67, 4.33, 58.25 ppm; 5.12 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 - HA LEU 69 far 0 100 0 - 7.7-11.5 HD3 LYS 36 - HA LEU 69 far 0 100 0 - 7.9-10.7 HG LEU 43 - HA LEU 69 far 0 68 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 2171 from cnoeabs.peaks (2.16, 4.33, 58.25 ppm; 6.08 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 68 + HA LEU 69 OK 95 95 100 100 3.9-5.7 ~2139=81, 11048/3.9=73...(25) HB2 GLU 97 - HA LEU 69 far 0 65 0 - 7.7-12.2 HB VAL 133 - HA LEU 69 far 0 71 0 - 8.7-11.7 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 2.8-3.7 3.7=100 HG LEU 42 + HA LEU 69 OK 63 63 100 100 3.4-5.8 2.1/9100=99...(16) HB2 LEU 49 - HA LEU 69 far 0 89 0 - 7.0-10.2 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 1.8-3.9 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 4 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.1-4.0 3.9=100 QD2 LEU 70 + HA LEU 69 OK 89 95 95 99 4.6-6.3 2269/4.9=66, 2268/3.6=64...(14) QG2 ILE 32 - HA LEU 69 far 0 92 0 - 6.6-14.6 QD2 LEU 123 - HA LEU 69 far 0 92 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (8.46, 4.33, 58.25 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 69 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 47 - HA LEU 69 far 0 99 0 - 7.5-8.4 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 3.1-3.7 6973=100, 6974/3.6=77...(24) H LEU 69 + HA LEU 69 OK 76 76 100 100 2.8-2.9 2.9=100 H GLU 44 - HA LEU 69 far 0 97 0 - 7.2-8.8 H LEU 49 - HA LEU 69 far 0 85 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (3.34, 4.33, 58.25 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB3 TYR 72 + HA LEU 69 OK 100 100 100 100 2.1-3.4 3.8/6973=100...(25) HB3 CYS 73 + HA LEU 69 OK 85 85 100 100 3.9-6.3 3.8/6988=87, 2233/4.9=74...(19) HB2 HIS 67 + HA LEU 69 OK 50 100 50 100 7.3-8.5 9464/3.0=86, ~6916=78...(11) HA VAL 63 - HA LEU 69 far 0 68 0 - 9.4-11.2 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 2.1-3.6 3.7=100 H TYR 72 + HB2 LEU 69 OK 76 76 100 100 5.0-5.7 6973/3.0=65, 9522/3.2=54...(21) H LEU 49 - HB2 LEU 69 far 15 100 15 - 5.7-8.9 H LEU 43 - HB2 LEU 69 far 10 97 10 - 6.4-10.1 H VAL 126 - HB2 LEU 69 far 5 99 5 - 6.6-8.8 H LEU 96 - HB2 LEU 69 far 0 73 0 - 7.2-10.9 H ASP 131 - HB2 LEU 69 far 0 63 0 - 9.0-12.0 H SER 99 - HB2 LEU 69 far 0 99 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (4.33, 1.67, 40.48 ppm; 6.67 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 47 - HB2 LEU 69 far 0 96 0 - 8.1-10.5 HA CYS 125 - HB2 LEU 69 far 0 73 0 - 9.2-11.7 HA TYR 76 - HB2 LEU 69 far 0 85 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (1.67, 1.67, 40.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 Peak 2184 from cnoeabs.peaks (2.16, 1.67, 40.48 ppm; 5.60 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 68 + HB2 LEU 69 OK 43 95 45 100 3.8-7.3 3.0/11022=77...(22) HB2 GLU 97 - HB2 LEU 69 poor 16 65 25 - 5.5-11.6 HB VAL 133 - HB2 LEU 69 far 0 71 0 - 8.8-12.7 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 2.3-2.9 2.9=100 HG LEU 42 + HB2 LEU 69 OK 38 63 60 100 3.4-7.2 ~11039=61, ~11066=60...(22) HB2 LEU 49 - HB2 LEU 69 far 13 89 15 - 5.2-8.1 Violated in 0 structures by 0.00 A. Peak 2186 from cnoeabs.peaks (1.01, 1.67, 40.48 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 100 100 1.9-3.2 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 6 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 QD2 LEU 70 + HB2 LEU 69 OK 95 95 100 100 2.4-5.9 11115/11493=88...(14) QD2 LEU 123 - HB2 LEU 69 far 0 92 0 - 7.5-11.5 QG2 ILE 32 - HB2 LEU 69 far 0 92 0 - 8.6-16.8 QD1 LEU 98 - HB2 LEU 69 far 0 99 0 - 9.7-13.6 QD2 LEU 98 - HB2 LEU 69 far 0 99 0 - 10.0-13.4 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 2.3-4.0 4.4=100 H ASP 47 - HB2 LEU 69 poor 20 99 20 - 6.0-8.7 H LEU 100 - HB2 LEU 69 far 0 78 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (3.63, 2.16, 40.48 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.2-5.6 11058/3.2=94...(22) HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 3.8-7.2 ~11058=82, 11053/3.0=47...(21) 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 3.8-7.2 ~11058=82, 11053/3.0=47...(21) HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.2-5.6 11058/3.2=97...(22) Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (8.30, 2.16, 40.48 ppm; 5.88 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.0-3.6 3.7=100 H TYR 72 + HB3 LEU 69 OK 76 76 100 100 5.0-5.7 6973/3.0=65, 9522/3.2=56...(22) H LEU 49 + HB3 LEU 69 OK 33 100 35 93 5.4-8.5 11703/9443=67...(11) H VAL 126 - HB3 LEU 69 far 15 99 15 - 6.6-9.1 H LEU 43 - HB3 LEU 69 far 5 97 5 - 6.7-10.1 H LEU 96 - HB3 LEU 69 far 4 73 5 - 6.7-11.2 H ASP 131 - HB3 LEU 69 far 0 63 0 - 8.9-12.1 H SER 99 - HB3 LEU 69 far 0 99 0 - 9.4-13.1 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 4 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 47 - HB3 LEU 69 far 0 96 0 - 7.8-10.3 HA CYS 125 - HB3 LEU 69 far 0 73 0 - 8.6-12.0 HA TYR 76 - HB3 LEU 69 far 0 85 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (1.67, 2.16, 40.48 ppm; 5.14 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 43 - HB3 LEU 69 far 0 68 0 - 8.6-11.8 HD3 LYS 36 - HB3 LEU 69 far 0 100 0 - 9.8-13.6 HD2 LYS 36 - HB3 LEU 69 far 0 100 0 - 9.8-14.1 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 2.2-3.0 2.9=100 HB2 LEU 49 + HB3 LEU 69 OK 66 89 75 100 4.8-9.0 ~11048=76, 10959/9443=49...(23) HG LEU 42 + HB3 LEU 69 OK 56 63 90 100 4.2-7.2 ~11039=83, ~11066=82...(24) 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 2.1-3.2 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 5 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.1-3.2 3.0=100 QD2 LEU 70 + HB3 LEU 69 OK 78 95 85 97 2.9-6.0 2268/4.4=50, 2187/1.8=40...(14) QD2 LEU 123 - HB3 LEU 69 far 0 92 0 - 7.4-11.5 QG2 ILE 32 - HB3 LEU 69 far 0 92 0 - 8.1-16.8 QD1 LEU 98 - HB3 LEU 69 far 0 99 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (8.46, 2.16, 40.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 100 100 2.6-4.2 4.4=100 H ASP 47 + HB3 LEU 69 OK 38 99 40 98 5.7-8.8 10995/9443=67...(9) H LEU 100 - HB3 LEU 69 far 0 78 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (8.30, 1.51, 27.00 ppm; 5.41 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 100 100 2.9-4.6 5.2=100 H VAL 126 + HG LEU 69 OK 43 99 45 96 5.3-7.9 ~11052=62...(11) H LEU 49 + HG LEU 69 OK 30 100 35 85 5.5-8.4 2215/2.1=46...(9) H TYR 72 + HG LEU 69 OK 23 76 30 100 4.7-7.1 6973/3.7=60, 9522/2.1=58...(19) H LEU 43 - HG LEU 69 far 0 97 0 - 6.9-9.3 H LEU 96 - HG LEU 69 far 0 73 0 - 7.5-9.6 H ASP 131 - HG LEU 69 far 0 63 0 - 7.8-11.3 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 4 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 100 100 2.8-3.7 3.7=100 HA ASP 47 - HG LEU 69 far 0 96 0 - 7.1-9.7 HA CYS 125 - HG LEU 69 far 0 73 0 - 7.8-10.2 HA TYR 76 - HG LEU 69 far 0 85 0 - 9.6-13.0 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 2.3-2.9 2.9=100 HG LEU 43 - HG LEU 69 far 0 68 0 - 7.6-10.9 HB2 LEU 123 - HG LEU 69 far 0 85 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (2.16, 1.51, 27.00 ppm; 6.51 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 68 + HG LEU 69 OK 52 95 55 100 6.2-8.2 11048/2.1=91, ~11021=87...(20) HB2 GLU 97 - HG LEU 69 far 7 65 10 - 6.8-11.9 HB VAL 133 - HG LEU 69 far 0 71 0 - 9.0-11.8 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): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 69 OK 33 95 45 77 3.2-6.4 2268/6943=30...(10) QD2 LEU 123 - HG LEU 69 far 0 92 0 - 6.6-11.1 QG2 ILE 32 - HG LEU 69 far 0 92 0 - 8.9-17.5 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (8.46, 1.51, 27.00 ppm; 6.78 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HG LEU 69 OK 100 100 100 100 2.1-5.2 6943=100, 6941/2.9=100...(12) H ASP 47 + HG LEU 69 OK 80 99 85 96 5.7-8.1 3.7/9182=47, 2214/2.1=47...(9) H LEU 100 - HG LEU 69 far 0 78 0 - 8.7-10.9 H VAL 132 - HG LEU 69 far 0 99 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (8.30, 1.01, 23.30 ppm; 3.97 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.4-4.3 4.3=79, 2.9/2208=68...(17) H TYR 72 + QD1 LEU 69 OK 60 76 80 99 4.0-5.6 6973/2208=42...(21) H LEU 43 - QD1 LEU 69 poor 19 97 20 - 4.5-6.6 H LEU 49 - QD1 LEU 69 far 5 100 5 - 4.6-7.1 H VAL 126 - QD1 LEU 69 far 0 99 0 - 5.0-7.8 H ASP 131 - QD1 LEU 69 far 0 63 0 - 5.9-8.4 H LEU 96 - QD1 LEU 69 far 0 73 0 - 6.5-9.7 H GLU 40 - QD1 LEU 69 far 0 87 0 - 7.8-10.6 H SER 99 - QD1 LEU 69 far 0 99 0 - 8.8-11.8 Violated in 3 structures by 0.01 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 1.8-3.9 2173=90, 9100/11066=38...(24) HA ASP 47 - QD1 LEU 69 far 0 96 0 - 5.9-7.9 HA TYR 76 - QD1 LEU 69 far 0 85 0 - 7.0-9.4 HA CYS 125 - QD1 LEU 69 far 0 73 0 - 7.0-9.9 HA2 GLY 75 - QD1 LEU 69 far 0 95 0 - 7.5-10.5 HA ASP 131 - QD1 LEU 69 far 0 76 0 - 8.0-10.2 HA GLN 134 - QD1 LEU 69 far 0 78 0 - 9.7-12.0 Violated in 3 structures by 0.03 A. Peak 2209 from cnoeabs.peaks (1.67, 1.01, 23.30 ppm; 3.81 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 43 - QD1 LEU 69 far 0 68 0 - 5.7-7.7 HD2 LYS 36 - QD1 LEU 69 far 0 100 0 - 7.4-11.5 HD3 LYS 36 - QD1 LEU 69 far 0 100 0 - 7.8-10.5 HB2 LEU 123 - QD1 LEU 69 far 0 85 0 - 8.5-11.1 QB ALA 88 - QD1 LEU 69 far 0 99 0 - 8.5-11.1 HD2 LYS 39 - QD1 LEU 69 far 0 98 0 - 9.0-11.8 HD2 LYS 95 - QD1 LEU 69 far 0 92 0 - 9.5-14.0 HG LEU 62 - QD1 LEU 69 far 0 81 0 - 10.0-12.7 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 2.1-3.2 3.2=100 HB3 GLN 68 - QD1 LEU 69 poor 19 95 20 - 3.9-7.4 HB2 GLU 97 - QD1 LEU 69 far 0 65 0 - 6.6-11.1 HB VAL 133 - QD1 LEU 69 far 0 71 0 - 6.9-8.7 Violated in 0 structures by 0.00 A. Peak 2211 from cnoeabs.peaks (1.51, 1.01, 23.30 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 42 + QD1 LEU 69 OK 61 63 100 97 2.2-3.7 2.1/11039=63...(18) HB2 LEU 49 - QD1 LEU 69 far 0 89 0 - 4.3-7.1 HB2 LEU 53 - QD1 LEU 69 far 0 99 0 - 9.4-13.5 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 6 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 70 - QD1 LEU 69 far 9 95 10 - 3.4-6.1 QD2 LEU 123 - QD1 LEU 69 far 0 92 0 - 5.7-9.8 QG2 ILE 32 - QD1 LEU 69 far 0 92 0 - 6.8-13.5 QD2 LEU 98 - QD1 LEU 69 far 0 99 0 - 9.2-12.3 QD1 LEU 98 - QD1 LEU 69 far 0 99 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (8.46, 1.01, 23.30 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 69 OK 100 100 100 100 3.7-4.8 6944=100, 6941/3.2=86...(13) H ASP 47 + QD1 LEU 69 OK 89 99 90 100 4.2-6.2 3.7/11046=83...(14) H VAL 132 - QD1 LEU 69 far 0 99 0 - 7.0-9.6 H LEU 100 - QD1 LEU 69 far 0 78 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (8.30, 0.87, 28.07 ppm; 4.55 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.8-4.2 4.9=79, 6928/2.1=64...(22) H LEU 49 + QD2 LEU 69 OK 97 100 100 97 3.8-5.2 3.9/11048=52...(15) H VAL 126 + QD2 LEU 69 OK 22 99 25 87 4.8-6.8 2.9/11052=69...(10) H TYR 72 - QD2 LEU 69 far 11 76 15 - 5.2-6.3 H LEU 43 - QD2 LEU 69 far 0 97 0 - 5.5-8.2 H ASP 131 - QD2 LEU 69 far 0 63 0 - 6.8-9.9 H LEU 96 - QD2 LEU 69 far 0 73 0 - 6.9-8.8 H SER 99 - QD2 LEU 69 far 0 99 0 - 8.0-10.6 H GLU 40 - QD2 LEU 69 far 0 87 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2216 from cnoeabs.peaks (4.33, 0.87, 28.07 ppm; 5.31 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-4.0 3.9=100 HA ASP 47 + QD2 LEU 69 OK 52 96 60 91 5.7-7.3 10901/11045=46...(10) HA CYS 125 - QD2 LEU 69 far 0 73 0 - 7.1-9.3 HA ASP 131 - QD2 LEU 69 far 0 76 0 - 8.8-12.0 HA TYR 76 - QD2 LEU 69 far 0 85 0 - 9.1-11.4 HA2 GLY 75 - QD2 LEU 69 far 0 95 0 - 9.7-12.1 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 8 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 HG LEU 43 - QD2 LEU 69 far 0 68 0 - 6.4-9.5 HB2 LEU 123 - QD2 LEU 69 far 0 85 0 - 7.9-9.9 HG LEU 62 - QD2 LEU 69 far 0 81 0 - 8.1-10.6 HD3 LYS 36 - QD2 LEU 69 far 0 100 0 - 8.1-11.9 HD2 LYS 36 - QD2 LEU 69 far 0 100 0 - 9.4-12.6 QB ALA 88 - QD2 LEU 69 far 0 99 0 - 9.6-11.8 HD2 LYS 39 - QD2 LEU 69 far 0 98 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2218 from cnoeabs.peaks (2.16, 0.87, 28.07 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-3.2 3.0=100 HB3 GLN 68 + QD2 LEU 69 OK 65 95 70 99 3.9-7.4 1.8/11021=57, 11048=57...(23) HB2 GLU 97 - QD2 LEU 69 far 0 65 0 - 6.3-10.5 HB VAL 133 - QD2 LEU 69 far 0 71 0 - 7.7-10.8 HB2 GLN 104 - QD2 LEU 69 far 0 73 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (1.51, 0.87, 28.07 ppm; 3.69 A): 2 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 72 89 85 95 2.8-5.0 1.8/11048=47...(22) HG LEU 42 - QD2 LEU 69 poor 16 63 25 - 3.2-6.0 HB2 LEU 53 - QD2 LEU 69 far 0 99 0 - 8.0-11.6 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 3 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 118 - QD2 LEU 69 far 0 100 0 - 8.6-11.4 QG2 VAL 105 - QD2 LEU 69 far 0 100 0 - 10.0-12.9 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 2.7-4.9 6941/3.0=100...(14) H ASP 47 + QD2 LEU 69 OK 99 99 100 100 4.2-6.3 3.6/11054=99...(13) H LEU 100 - QD2 LEU 69 far 8 78 10 - 6.6-9.5 H VAL 132 - QD2 LEU 69 far 0 99 0 - 8.0-10.7 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 2.7-2.8 2.9=100 H LEU 100 - HA LEU 70 far 0 78 0 - 7.9-9.9 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 2.7-3.0 3.0=100 HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 ARG 90 - HA LEU 70 far 0 81 0 - 7.2-11.5 HG LEU 98 - HA LEU 70 far 0 100 0 - 8.8-10.8 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 2.2-2.8 3.0=100 HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 ARG 90 - HA LEU 70 far 0 87 0 - 7.2-11.5 HG LEU 98 - HA LEU 70 far 0 100 0 - 8.8-10.8 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 3.4-3.7 3.7=100 HG LEU 122 - HA LEU 70 far 0 99 0 - 7.9-12.4 HB2 LEU 122 - HA LEU 70 far 0 100 0 - 8.3-11.2 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 6 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 1.9-4.1 2261=100, 2.1/2269=84...(21) QG2 ILE 129 - HA LEU 70 far 5 100 5 - 4.7-6.4 QD1 LEU 122 - HA LEU 70 far 0 96 0 - 5.7-9.7 QD2 LEU 49 - HA LEU 70 far 0 78 0 - 6.1-8.2 QG1 VAL 133 - HA LEU 70 far 0 87 0 - 7.9-11.0 QD1 LEU 53 - HA LEU 70 far 0 71 0 - 9.0-14.3 Violated in 9 structures by 0.15 A. Peak 2229 from cnoeabs.peaks (0.86, 3.88, 58.34 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.1-3.4 2269=100, 2.1/2261=66...(17) QD2 LEU 69 - HA LEU 70 far 14 95 15 - 3.5-6.1 QD1 LEU 98 - HA LEU 70 far 0 99 0 - 7.8-10.8 QG1 VAL 133 - HA LEU 70 far 0 83 0 - 7.9-11.0 QG2 ILE 32 - HA LEU 70 far 0 100 0 - 8.6-16.3 QD2 LEU 98 - HA LEU 70 far 0 83 0 - 8.8-10.6 QD2 LEU 123 - HA LEU 70 far 0 63 0 - 10.0-14.3 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 3.5-3.6 3.6=100 H GLU 91 - HA LEU 70 far 0 96 0 - 9.4-11.8 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 3.3-4.1 6989=100, 3.8/2233=68...(21) 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 2.3-4.9 1.8/2233=93...(15) HB2 TYR 76 - HA LEU 70 far 0 97 0 - 7.1-9.3 HB2 CYS 125 - HA LEU 70 far 0 96 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 2233 from cnoeabs.peaks (3.32, 3.88, 58.34 ppm; 4.59 A): 2 out of 5 assignments used, quality = 1.00: * HB3 CYS 73 + HA LEU 70 OK 100 100 100 100 2.4-4.0 1.8/2232=82, 2330=69...(18) HB3 TYR 72 + HA LEU 70 OK 38 85 50 89 5.1-5.9 4.4/6989=48, 2178/4.9=35...(12) HB2 HIS 67 - HA LEU 70 far 0 81 0 - 7.3-8.8 HB3 PHE 89 - HA LEU 70 far 0 96 0 - 8.7-11.2 HB2 PHE 89 - HA LEU 70 far 0 99 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 2234 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.83 A): 3 out of 4 assignments used, quality = 1.00: * HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 2.6-5.0 9462/3.2=82...(23) HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.1-5.6 9462/3.2=82...(24) HA SER 94 + HB3 LEU 70 OK 24 91 40 65 4.5-9.3 11104/3.2=28...(6) HA SER 94 - HB2 LEU 70 far 14 92 15 - 5.4-9.4 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 6 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.9-3.5 3.2=100 H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-3.5 3.2=100 H LEU 100 - HB3 LEU 70 far 0 77 0 - 6.9-8.2 H LEU 100 - HB2 LEU 70 far 0 78 0 - 7.9-9.1 H ALA 12 - HB2 LEU 70 far 0 81 0 - 8.9-44.5 H ALA 12 - HB3 LEU 70 far 0 80 0 - 9.8-45.6 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 8 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 SER 94 - HB3 LEU 70 far 0 80 0 - 6.2-11.5 HB2 SER 94 - HB2 LEU 70 far 0 81 0 - 7.0-11.7 HA ALA 46 - HB3 LEU 70 far 0 92 0 - 7.9-10.6 HA3 GLY 75 - HB2 LEU 70 far 0 78 0 - 8.7-10.9 HA ALA 46 - HB2 LEU 70 far 0 93 0 - 9.3-11.3 HA3 GLY 75 - HB3 LEU 70 far 0 77 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2237 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Peak 2238 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Reference assignment not found: HB3 LEU 70 - HB2 LEU 70 Peak 2239 from cnoeabs.peaks (1.61, 1.71, 41.52 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-2.8 3.0=100 HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 98 0 - 7.2-11.4 HB2 LEU 122 - HB3 LEU 70 far 0 100 0 - 7.4-9.7 HG LEU 122 - HB2 LEU 70 far 0 99 0 - 8.8-12.6 HB2 LEU 122 - HB2 LEU 70 far 0 100 0 - 9.0-11.4 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 10 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-2.7 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.2 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 5 95 5 - 4.7-9.4 QD2 LEU 49 - HB3 LEU 70 far 0 77 0 - 5.6-8.4 QG2 ILE 129 - HB3 LEU 70 far 0 100 0 - 5.9-8.4 QD1 LEU 122 - HB2 LEU 70 far 0 96 0 - 6.1-10.0 QG2 ILE 129 - HB2 LEU 70 far 0 100 0 - 6.9-8.9 QD2 LEU 49 - HB2 LEU 70 far 0 78 0 - 7.1-8.7 QD1 LEU 53 - HB3 LEU 70 far 0 70 0 - 8.7-14.6 QG1 VAL 133 - HB3 LEU 70 far 0 86 0 - 9.5-12.8 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 12 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 2.0-2.3 3.2=100 QD2 LEU 69 - HB3 LEU 70 poor 19 94 20 - 3.3-7.2 QD2 LEU 69 - HB2 LEU 70 far 5 95 5 - 4.7-7.4 QD1 LEU 98 - HB3 LEU 70 far 0 99 0 - 6.1-10.2 QD1 LEU 98 - HB2 LEU 70 far 0 99 0 - 6.7-11.1 QD2 LEU 98 - HB3 LEU 70 far 0 82 0 - 7.4-10.8 QG2 ILE 32 - HB2 LEU 70 far 0 100 0 - 7.8-16.8 QG2 ILE 32 - HB3 LEU 70 far 0 100 0 - 8.4-17.7 QD2 LEU 98 - HB2 LEU 70 far 0 83 0 - 8.4-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 82 0 - 9.5-12.8 QD2 LEU 123 - HB3 LEU 70 far 0 62 0 - 9.8-14.1 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 2.3-3.5 4.3=100 H ASP 71 + HB3 LEU 70 OK 100 100 100 100 3.2-4.3 4.3=100 H ALA 15 - HB2 LEU 70 far 0 100 0 - 8.3-40.6 H GLU 91 - HB3 LEU 70 far 0 95 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2243 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.87 A): 3 out of 4 assignments used, quality = 1.00: * HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.1-5.6 9462/3.2=83...(24) HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 2.6-5.0 9462/3.2=83...(23) HA SER 94 + HB3 LEU 70 OK 24 92 40 65 4.5-9.3 11104/3.2=28...(6) HA SER 94 - HB2 LEU 70 poor 18 91 20 - 5.4-9.4 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 6 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-3.5 3.2=100 H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.9-3.5 3.2=100 H LEU 100 - HB3 LEU 70 far 0 78 0 - 6.9-8.2 H LEU 100 - HB2 LEU 70 far 0 77 0 - 7.9-9.1 H ALA 12 - HB2 LEU 70 far 0 80 0 - 8.9-44.5 H ALA 12 - HB3 LEU 70 far 0 81 0 - 9.8-45.6 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 8 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 94 - HB3 LEU 70 far 0 81 0 - 6.2-11.5 HB2 SER 94 - HB2 LEU 70 far 0 80 0 - 7.0-11.7 HA ALA 46 - HB3 LEU 70 far 0 93 0 - 7.9-10.6 HA3 GLY 75 - HB2 LEU 70 far 0 77 0 - 8.7-10.9 HA ALA 46 - HB2 LEU 70 far 0 92 0 - 9.3-11.3 HA3 GLY 75 - HB3 LEU 70 far 0 78 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Reference assignment not found: HB2 LEU 70 - HB3 LEU 70 Peak 2247 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Peak 2248 from cnoeabs.peaks (1.61, 1.71, 41.52 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-2.8 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 99 0 - 7.2-11.4 HB2 LEU 122 - HB3 LEU 70 far 0 100 0 - 7.4-9.7 HG LEU 122 - HB2 LEU 70 far 0 98 0 - 8.8-12.6 HB2 LEU 122 - HB2 LEU 70 far 0 100 0 - 9.0-11.4 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 10 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.2 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-2.7 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 5 96 5 - 4.7-9.4 QD2 LEU 49 - HB3 LEU 70 far 0 78 0 - 5.6-8.4 QG2 ILE 129 - HB3 LEU 70 far 0 100 0 - 5.9-8.4 QD1 LEU 122 - HB2 LEU 70 far 0 95 0 - 6.1-10.0 QG2 ILE 129 - HB2 LEU 70 far 0 100 0 - 6.9-8.9 QD2 LEU 49 - HB2 LEU 70 far 0 77 0 - 7.1-8.7 QD1 LEU 53 - HB3 LEU 70 far 0 71 0 - 8.7-14.6 QG1 VAL 133 - HB3 LEU 70 far 0 87 0 - 9.5-12.8 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 12 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-2.3 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 poor 19 95 20 - 3.3-7.2 QD2 LEU 69 - HB2 LEU 70 far 5 94 5 - 4.7-7.4 QD1 LEU 98 - HB3 LEU 70 far 0 99 0 - 6.1-10.2 QD1 LEU 98 - HB2 LEU 70 far 0 99 0 - 6.7-11.1 QD2 LEU 98 - HB3 LEU 70 far 0 83 0 - 7.4-10.8 QG2 ILE 32 - HB2 LEU 70 far 0 100 0 - 7.8-16.8 QG2 ILE 32 - HB3 LEU 70 far 0 100 0 - 8.4-17.7 QD2 LEU 98 - HB2 LEU 70 far 0 82 0 - 8.4-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 83 0 - 9.5-12.8 QD2 LEU 123 - HB3 LEU 70 far 0 63 0 - 9.8-14.1 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 3.2-4.3 4.3=100 H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.3-3.5 4.3=100 H ALA 15 - HB2 LEU 70 far 0 99 0 - 8.3-40.6 H GLU 91 - HB3 LEU 70 far 0 96 0 - 9.8-14.1 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 1.6-4.6 5.0=100 H ASN 116 + HG LEU 119 OK 73 73 100 100 3.0-6.1 4.0/11584=88...(15) H LEU 100 + HG LEU 122 OK 72 72 100 100 3.0-5.5 4.5/11473=47...(33) H LEU 100 + HG LEU 70 OK 48 78 65 94 5.8-8.1 ~11097=64, 2268/2.1=37...(10) H LEU 70 - HG LEU 122 far 0 97 0 - 7.7-11.0 H LEU 100 - HG LEU 119 far 0 66 0 - 8.3-11.8 H ASN 116 - HG LEU 122 far 0 79 0 - 9.2-12.9 H SER 9 - HG LEU 70 far 0 76 0 - 9.9-52.2 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 13 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 3.4-3.7 3.7=100 HA2 GLY 114 + HG LEU 119 OK 69 92 75 100 2.8-9.2 ~10160=85, ~10165=79...(10) HD2 PRO 117 + HG LEU 119 OK 40 66 60 100 5.5-8.2 4.8/11584=75...(9) HB2 SER 60 - HG LEU 22 far 3 51 5 - 7.3-46.3 HB3 SER 60 - HG LEU 22 far 3 51 5 - 7.3-45.7 HA LEU 70 - HG LEU 122 far 0 97 0 - 7.9-12.4 HB2 SER 94 - HG LEU 70 far 0 81 0 - 8.1-10.6 HA ALA 46 - HG LEU 122 far 0 88 0 - 8.4-10.9 HA ALA 46 - HG LEU 70 far 0 93 0 - 8.5-11.9 HB3 SER 50 - HG LEU 122 far 0 95 0 - 9.4-13.1 HA2 GLY 114 - HG LEU 122 far 0 97 0 - 9.5-16.0 HA3 GLY 75 - HG3 ARG 23 far 0 56 0 - 9.6-32.0 HD2 PRO 117 - HG LEU 122 far 0 72 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (1.71, 1.61, 27.00 ppm; 4.08 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 98 - HG LEU 122 far 0 97 0 - 5.4-11.0 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 7.2-11.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.7-10.4 HB2 LEU 70 - HG LEU 122 far 0 97 0 - 8.8-12.6 HG3 ARG 90 - HG LEU 70 far 0 81 0 - 9.8-13.7 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 9 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 LYS 31 - HG3 ARG 23 far 2 41 5 - 3.9-19.2 HG LEU 98 - HG LEU 122 far 0 96 0 - 5.4-11.0 HB2 LYS 31 - HG LEU 22 far 0 46 0 - 7.1-22.7 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 7.2-11.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.7-10.4 HB2 LEU 70 - HG LEU 122 far 0 97 0 - 8.8-12.6 HG3 ARG 90 - HG LEU 70 far 0 87 0 - 9.8-13.7 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 17 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 4 72 5 - 3.6-6.4 QD1 LEU 53 - HG LEU 122 far 3 65 5 - 3.3-8.9 QD1 LEU 122 - HG LEU 119 far 0 84 0 - 4.4-7.9 QD2 LEU 119 - HG LEU 122 far 0 81 0 - 4.6-8.5 QD2 LEU 22 - HG3 ARG 23 far 0 54 0 - 4.8-8.3 QD1 LEU 122 - HG LEU 70 far 0 96 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 60 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 78 0 - 5.5-9.0 QD1 LEU 70 - HG LEU 122 far 0 97 0 - 6.2-9.8 QG2 ILE 129 - HG LEU 70 far 0 100 0 - 6.9-9.2 QD2 LEU 49 - HG LEU 119 far 0 66 0 - 7.3-10.3 QG2 ILE 129 - HG LEU 122 far 0 97 0 - 8.1-11.6 QD1 LEU 53 - HG LEU 70 far 0 71 0 - 8.5-15.1 Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (0.86, 1.61, 27.00 ppm; 4.64 A): 3 out of 19 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 69 + HG LEU 70 OK 33 95 40 86 5.1-8.5 6945/6949=25, ~11102=20...(11) QD2 LEU 69 - HG LEU 122 far 13 89 15 - 5.3-8.9 QD2 LEU 123 - HG LEU 122 poor 12 58 20 - 4.7-8.0 QG2 VAL 57 - HG LEU 119 far 9 90 10 - 4.5-7.5 QD2 LEU 70 - HG LEU 122 poor 8 97 35 25 4.7-7.5 11115/11792=15...(5) QD2 LEU 22 - HG3 ARG 23 far 3 69 5 - 4.8-8.3 QD2 LEU 123 - HG LEU 119 far 3 52 5 - 5.4-8.6 QD1 LEU 98 - HG LEU 122 far 0 96 0 - 5.8-10.1 QG2 ILE 32 - HG LEU 22 far 0 87 0 - 5.9-20.5 QD1 LEU 98 - HG LEU 70 far 0 99 0 - 6.3-10.7 QD2 LEU 98 - HG LEU 122 far 0 77 0 - 6.3-9.4 QG2 ILE 32 - HG3 ARG 23 far 0 80 0 - 6.6-19.6 QG2 VAL 57 - HG LEU 122 far 0 96 0 - 7.7-11.1 QD2 LEU 98 - HG LEU 70 far 0 83 0 - 8.4-10.2 QD1 LEU 98 - HG LEU 119 far 0 90 0 - 9.5-14.9 QG2 ILE 32 - HG LEU 70 far 0 100 0 - 9.7-16.8 QD2 LEU 123 - HG LEU 70 far 0 63 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 2259 from cnoeabs.peaks (8.14, 1.61, 27.00 ppm; 4.48 A): 4 out of 8 assignments used, quality = 1.00: * H ASP 71 + HG LEU 70 OK 100 100 100 100 2.4-5.2 2275/2.1=64, 6964/2.1=60...(20) H LEU 22 + HG LEU 22 OK 81 81 100 100 2.7-5.2 6189/3.0=86, 6188/3.0=78...(14) H ASN 121 + HG LEU 122 OK 41 85 55 88 3.9-7.3 10321/2.1=32, ~10323=25...(15) H LEU 22 + HG3 ARG 23 OK 37 74 55 90 3.6-7.0 10728/3.8=75...(12) H ASN 121 - HG LEU 119 far 0 78 0 - 5.4-6.6 H ILE 32 - HG3 ARG 23 far 0 80 0 - 5.6-22.4 H ILE 32 - HG LEU 22 far 0 87 0 - 8.3-22.6 H ALA 15 - HG LEU 70 far 0 100 0 - 8.8-39.8 Violated in 0 structures by 0.00 A. Peak 2260 from cnoeabs.peaks (8.46, 0.82, 25.52 ppm; 3.71 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.4-4.3 6950=84, 2268/2.1=59...(25) H LEU 100 - QD1 LEU 122 poor 19 41 50 94 2.5-5.5 10026/2.1=28, 10026=20...(35) H LEU 100 - QD1 LEU 70 far 0 78 0 - 5.0-6.9 H LEU 70 - QD1 LEU 122 far 0 61 0 - 5.4-8.7 H ASN 116 - QD1 LEU 122 far 0 46 0 - 7.6-11.5 H ASP 47 - QD1 LEU 122 far 0 58 0 - 8.3-11.3 H SER 9 - QD1 LEU 70 far 0 76 0 - 9.0-44.3 H ALA 12 - QD1 LEU 70 far 0 81 0 - 9.8-38.6 Violated in 11 structures by 0.20 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 1.9-4.1 2228=96, 2269/2.1=83...(20) HB2 SER 94 - QD1 LEU 70 far 0 81 0 - 5.3-8.1 HA LEU 70 - QD1 LEU 122 far 0 61 0 - 5.7-9.7 HA ALA 46 - QD1 LEU 122 far 0 52 0 - 5.8-8.7 HA3 GLY 75 - QD1 LEU 70 far 0 78 0 - 7.0-10.7 HB3 SER 50 - QD1 LEU 122 far 0 59 0 - 7.2-10.6 HA2 GLY 114 - QD1 LEU 122 far 0 61 0 - 7.8-14.3 HA ALA 46 - QD1 LEU 70 far 0 93 0 - 8.3-10.0 HB2 SER 60 - QD1 LEU 122 far 0 33 0 - 8.7-11.4 HB3 SER 60 - QD1 LEU 122 far 0 33 0 - 8.8-11.3 HD2 PRO 117 - QD1 LEU 122 far 0 41 0 - 8.8-11.2 HB2 SER 94 - QD1 LEU 122 far 0 43 0 - 9.7-12.2 HA LYS 86 - QD1 LEU 70 far 0 99 0 - 10.0-13.7 Violated in 9 structures by 0.17 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 1.9-2.7 3.2=100 HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.5-3.2 3.2=100 HB3 LEU 70 - QD1 LEU 122 far 0 61 0 - 4.7-9.4 HG LEU 98 - QD1 LEU 122 far 0 61 0 - 5.6-10.0 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.1-8.4 HB2 LEU 70 - QD1 LEU 122 far 0 61 0 - 6.1-10.0 HG3 ARG 90 - QD1 LEU 70 far 0 81 0 - 6.3-11.5 HG LEU 48 - QD1 LEU 122 far 0 61 0 - 9.3-11.7 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 2.5-3.2 3.2=100 HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.7 3.2=100 HB3 LEU 70 - QD1 LEU 122 far 0 61 0 - 4.7-9.4 HG LEU 98 - QD1 LEU 122 far 0 60 0 - 5.6-10.0 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.1-8.4 HB2 LEU 70 - QD1 LEU 122 far 0 61 0 - 6.1-10.0 HG3 ARG 90 - QD1 LEU 70 far 0 87 0 - 6.3-11.5 HG LEU 48 - QD1 LEU 122 far 0 61 0 - 9.3-11.7 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 7 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 2.0-3.2 3.1=84, 3.0/3860=16...(18) HG LEU 119 - QD1 LEU 122 far 0 57 0 - 4.4-7.9 HG LEU 70 - QD1 LEU 122 far 0 61 0 - 5.4-8.5 HB2 LEU 122 - QD1 LEU 70 far 0 100 0 - 5.8-9.8 HG LEU 122 - QD1 LEU 70 far 0 99 0 - 6.2-9.8 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 15 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 123 - QD1 LEU 122 poor 8 32 25 - 2.7-6.8 QD2 LEU 70 - QD1 LEU 122 far 3 61 5 - 3.3-5.9 QD2 LEU 69 - QD1 LEU 122 far 3 54 5 - 3.1-6.4 QD2 LEU 69 - QD1 LEU 70 far 0 95 0 - 4.7-7.0 QD1 LEU 98 - QD1 LEU 70 far 0 99 0 - 5.1-8.3 QD1 LEU 98 - QD1 LEU 122 far 0 60 0 - 5.3-9.3 QG2 VAL 57 - QD1 LEU 122 far 0 60 0 - 5.9-8.2 QD2 LEU 98 - QD1 LEU 70 far 0 83 0 - 5.9-7.9 QD2 LEU 98 - QD1 LEU 122 far 0 44 0 - 6.4-8.9 QG1 VAL 133 - QD1 LEU 70 far 0 83 0 - 8.0-11.8 QG2 ILE 32 - QD1 LEU 70 far 0 100 0 - 8.1-15.0 QD2 LEU 123 - QD1 LEU 70 far 0 63 0 - 9.2-12.3 QG1 VAL 133 - QD1 LEU 122 far 0 44 0 - 9.2-13.8 QD2 LEU 22 - QD1 LEU 70 far 0 92 0 - 9.7-25.2 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (8.14, 0.82, 25.52 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 71 + QD1 LEU 70 OK 100 100 100 100 3.4-4.3 6964=88, 3.6/2261=77...(25) H ASN 121 + QD1 LEU 122 OK 41 50 85 97 3.3-6.7 10321=45, 7704/11099=41...(17) H ASP 71 - QD1 LEU 122 far 0 61 0 - 7.5-10.9 H ALA 15 - QD1 LEU 70 far 0 100 0 - 7.8-34.5 H GLU 91 - QD1 LEU 70 far 0 96 0 - 8.3-11.5 Violated in 0 structures by 0.00 A. Peak 2268 from cnoeabs.peaks (8.46, 0.86, 25.01 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.6 2.9/2269=78, 6950/2.1=74...(22) H LEU 100 + QD2 LEU 70 OK 58 78 85 88 4.0-5.0 4.9/11107=44...(14) H SER 9 - QD2 LEU 70 far 0 76 0 - 9.3-44.5 H ASP 47 - QD2 LEU 70 far 0 99 0 - 9.4-11.4 H ALA 12 - QD2 LEU 70 far 0 81 0 - 9.9-38.3 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 5 assignments used, quality = 0.99: * HA LEU 70 + QD2 LEU 70 OK 99 100 100 99 2.1-3.4 2229=83, 2261/2.1=53...(17) HB2 SER 94 - QD2 LEU 70 far 0 81 0 - 6.5-7.4 HA ALA 46 - QD2 LEU 70 far 0 93 0 - 6.5-8.7 HA3 GLY 75 - QD2 LEU 70 far 0 78 0 - 9.1-11.6 HB3 SER 50 - QD2 LEU 70 far 0 99 0 - 9.6-13.3 Violated in 2 structures by 0.01 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 2.0-2.3 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 5.8-7.0 HG3 ARG 90 - QD2 LEU 70 far 0 81 0 - 7.8-10.4 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 2.0-2.3 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 - 5.8-7.0 HG3 ARG 90 - QD2 LEU 70 far 0 87 0 - 7.8-10.4 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 HB2 LEU 122 - QD2 LEU 70 far 0 100 0 - 4.4-7.4 HG LEU 122 - QD2 LEU 70 far 0 99 0 - 4.7-7.5 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 5 96 5 - 3.3-5.9 QD2 LEU 49 - QD2 LEU 70 far 0 78 0 - 4.3-6.4 QG2 ILE 129 - QD2 LEU 70 far 0 100 0 - 5.0-6.4 QD1 LEU 53 - QD2 LEU 70 far 0 71 0 - 6.2-11.1 QG1 VAL 133 - QD2 LEU 70 far 0 87 0 - 7.9-10.9 QD2 LEU 119 - QD2 LEU 70 far 0 87 0 - 8.4-11.1 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 4 assignments used, quality = 1.00: * H ASP 71 + QD2 LEU 70 OK 100 100 100 100 4.0-4.9 3.6/2269=87, 6964/2.1=74...(21) H GLU 91 - QD2 LEU 70 far 0 96 0 - 9.2-10.2 H ALA 15 - QD2 LEU 70 far 0 100 0 - 9.4-34.3 H ASN 121 - QD2 LEU 70 far 0 90 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (8.14, 4.42, 57.33 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HA ASP 71 OK 100 100 100 100 2.8-2.9 2.8=100 H ALA 15 - HA ASP 71 far 0 100 0 - 7.2-39.0 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 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2279 from cnoeabs.peaks (2.81, 4.42, 57.33 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2280 from cnoeabs.peaks (8.32, 4.42, 57.33 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HA ASP 71 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 69 - HA ASP 71 far 0 76 0 - 6.5-7.3 H LYS 19 - HA ASP 71 far 0 65 0 - 8.2-30.7 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 3.5-4.1 7004=100, 6986/3.6=41...(7) H ALA 34 - HA ASP 71 far 0 71 0 - 8.8-13.6 H ASN 13 - HA ASP 71 far 0 57 0 - 9.9-43.6 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 = 0.98: * HB2 SER 74 + HA ASP 71 OK 86 100 100 86 3.4-4.2 2341=50, 3.9/7004=50...(4) HB3 SER 74 + HA ASP 71 OK 86 100 100 86 2.6-4.3 2347=50, 3.9/7004=50...(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 = 0.98: HB2 SER 74 + HA ASP 71 OK 86 100 100 86 3.4-4.2 2341=50, 3.9/7004=50...(4) * HB3 SER 74 + HA ASP 71 OK 86 100 100 86 2.6-4.3 2347=50, 3.9/7004=50...(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 2.4-4.3 2128=100, 2129/1.8=91...(14) HA ILE 37 - HB2 ASP 71 far 0 65 0 - 6.9-10.9 HA THR 65 - HB2 ASP 71 far 0 76 0 - 8.1-9.8 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 3 assignments used, quality = 1.00: * H ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.1-3.5 6967=100, 6968/1.8=83...(11) H ALA 15 - HB2 ASP 71 far 0 100 0 - 7.9-37.3 H ILE 32 - HB2 ASP 71 far 0 100 0 - 8.9-17.8 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 2.3-3.0 3.0=100 HA SER 33 - HB2 ASP 71 far 0 85 0 - 7.9-12.8 HA MET 11 - HB2 ASP 71 far 0 99 0 - 8.0-42.1 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 HB3 ASP 64 - HB2 ASP 71 far 0 96 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 2289 from cnoeabs.peaks (8.32, 2.63, 39.26 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB2 ASP 71 OK 100 100 100 100 2.7-4.1 6978=100, 6979/1.8=88...(14) H LEU 69 + HB2 ASP 71 OK 25 76 35 92 4.8-6.6 3.6/2128=63...(8) H LYS 19 - HB2 ASP 71 far 0 65 0 - 9.8-30.3 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 2.4-4.5 2129=100, 2128/1.8=83...(13) HA ILE 37 - HB3 ASP 71 far 0 65 0 - 7.0-10.1 HA THR 65 - HB3 ASP 71 far 0 76 0 - 7.9-10.4 Violated in 4 structures by 0.05 A. Peak 2291 from cnoeabs.peaks (8.14, 2.81, 39.26 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.2-3.4 6968=100, 6967/1.8=76...(15) H ILE 32 - HB3 ASP 71 far 0 100 0 - 8.4-17.4 H ALA 15 - HB3 ASP 71 far 0 100 0 - 9.2-36.1 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (4.42, 2.81, 39.26 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 33 - HB3 ASP 71 far 0 85 0 - 6.9-12.2 HA MET 11 - HB3 ASP 71 far 0 99 0 - 9.1-42.6 Violated in 0 structures by 0.00 A. Peak 2293 from cnoeabs.peaks (2.63, 2.81, 39.26 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB3 ASP 71 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2294 from cnoeabs.peaks (2.81, 2.81, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HB3 ASP 71 OK 100 100 - 100 Peak 2295 from cnoeabs.peaks (8.32, 2.81, 39.26 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB3 ASP 71 OK 100 100 100 100 2.5-4.1 6979=100, 6978/1.8=82...(13) H LEU 69 + HB3 ASP 71 OK 22 76 30 96 4.7-6.5 3.6/2129=66...(9) H LYS 19 - HB3 ASP 71 far 0 65 0 - 10.0-30.4 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 4 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 - 7.0-7.9 H GLU 44 - HA TYR 72 far 0 97 0 - 9.4-11.5 H LYS 19 - HA TYR 72 far 0 65 0 - 9.8-29.1 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 2.4-2.6 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 3.0-3.0 3.0=100 HB3 CYS 73 - HA TYR 72 far 0 85 0 - 5.6-6.6 HB2 HIS 67 - HA TYR 72 far 0 100 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (7.15, 4.55, 60.48 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 100 100 1.9-2.8 3.4=100 HD2 HIS 67 - HA TYR 72 far 0 100 0 - 9.7-12.8 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 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (4.33, 3.02, 37.59 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB2 TYR 72 OK 100 100 100 100 3.6-5.0 2177=100, 2178/1.8=100...(21) HA TYR 76 + HB2 TYR 72 OK 84 85 100 98 5.2-6.3 10833/9517=78...(6) HA2 GLY 75 + HB2 TYR 72 OK 45 95 60 79 6.0-8.0 9604/9518=58...(5) Violated in 0 structures by 0.00 A. Peak 2304 from cnoeabs.peaks (8.32, 3.02, 37.59 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB2 TYR 72 OK 100 100 100 100 3.6-3.6 3.8=100 H LEU 69 - HB2 TYR 72 far 0 76 0 - 6.0-7.5 H GLU 44 - HB2 TYR 72 far 0 97 0 - 7.0-9.3 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 3 assignments used, quality = 1.00: * HA TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.4-2.6 3.0=100 HA SER 38 - HB2 TYR 72 far 0 97 0 - 6.2-8.0 HA ASP 35 - HB2 TYR 72 far 0 63 0 - 9.4-11.2 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 4 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 13 85 15 - 4.8-6.4 HB2 HIS 67 - HB2 TYR 72 far 0 100 0 - 9.8-12.5 HB3 PHE 89 - HB2 TYR 72 far 0 99 0 - 9.9-11.4 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 2.5-2.8 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 3.2-3.8 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): 2 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 2.1-3.4 2178=100, 6973/3.8=100...(25) HA TYR 76 + HB3 TYR 72 OK 84 85 100 99 6.4-7.6 10833/10825=79...(7) HA2 GLY 75 - HB3 TYR 72 poor 13 95 25 56 6.8-8.5 9531/2.7=19...(4) Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (8.32, 3.34, 37.59 ppm; 5.32 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.6 3.8=100 H LEU 69 + HB3 TYR 72 OK 76 76 100 100 4.4-5.9 2.9/2178=79, 4.3/9514=54...(20) H GLU 44 - HB3 TYR 72 far 0 97 0 - 7.3-9.3 H LEU 49 - HB3 TYR 72 far 0 85 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (4.55, 3.34, 37.59 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + HB3 TYR 72 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 38 - HB3 TYR 72 far 0 97 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 2314 from cnoeabs.peaks (3.02, 3.34, 37.59 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB3 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2315 from cnoeabs.peaks (3.34, 3.34, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 72 + HB3 TYR 72 OK 100 100 - 100 Peak 2316 from cnoeabs.peaks (7.15, 3.34, 37.59 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.5 2.7=100 HD2 HIS 67 - HB3 TYR 72 far 0 100 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2318 from cnoeabs.peaks (8.85, 3.34, 37.59 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB3 TYR 72 OK 100 100 100 100 2.2-2.9 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 3 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 76 + HA CYS 73 OK 95 97 100 99 1.8-4.4 3.8/11789=45...(20) HB3 ASP 78 - HA CYS 73 far 0 97 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (3.32, 4.38, 64.37 ppm; 5.63 A): 3 out of 4 assignments used, quality = 1.00: * HB3 CYS 73 + HA CYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 TYR 72 + HA CYS 73 OK 84 85 100 99 4.1-4.5 3.8/9536=71...(11) HB3 PHE 89 + HA CYS 73 OK 23 96 25 97 6.0-7.6 4.5/11145=72...(12) HB2 PHE 89 - HA CYS 73 far 10 99 10 - 6.4-7.5 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 3.5-3.6 3.6=100 H VAL 93 - HA CYS 73 far 0 63 0 - 7.6-8.0 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 2.5-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (4.38, 2.75, 27.55 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 78 - HB2 CYS 73 far 0 100 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 2327 from cnoeabs.peaks (2.75, 2.75, 27.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 73 + HB2 CYS 73 OK 100 100 - 100 Peak 2328 from cnoeabs.peaks (3.32, 2.75, 27.55 ppm; 5.08 A): 3 out of 4 assignments used, quality = 1.00: * HB3 CYS 73 + HB2 CYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 72 + HB2 CYS 73 OK 79 85 100 93 5.1-5.9 ~9529=34, 7000/3.8=33...(12) HB3 PHE 89 + HB2 CYS 73 OK 26 96 35 78 5.1-7.2 5.8/11147=31...(13) HB2 PHE 89 - HB2 CYS 73 poor 20 99 20 - 5.3-8.0 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (3.88, 3.32, 27.55 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 70 + HB3 CYS 73 OK 100 100 100 100 2.4-4.0 2233=100, 2232/1.8=100...(18) HA3 GLY 75 + HB3 CYS 73 OK 57 78 80 90 7.0-8.4 ~9539=61, 7003/4.4=38...(6) HA ALA 46 - HB3 CYS 73 far 14 93 15 - 6.8-10.0 HA LYS 86 - HB3 CYS 73 far 10 99 10 - 7.3-10.2 HB2 SER 94 - HB3 CYS 73 far 4 81 5 - 7.6-10.1 HD2 PRO 81 - HB3 CYS 73 far 0 57 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 2331 from cnoeabs.peaks (8.85, 3.32, 27.55 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.1-3.6 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 2.5-3.0 3.0=100 HA ASP 78 - HB3 CYS 73 far 0 100 0 - 9.4-11.4 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 61 97 65 98 4.2-7.2 ~11160=38, ~11137=38...(17) HB2 CYS 125 - HB3 CYS 73 far 0 96 0 - 8.2-10.5 HB3 ASP 78 - HB3 CYS 73 far 0 97 0 - 9.9-12.4 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 2.4-3.9 4.4=100 H VAL 93 + HB3 CYS 73 OK 46 63 85 87 5.4-6.9 3.9/9581=76, 3.9/9579=31...(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 6 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 100 100 2.7-2.9 2.9=100 H GLN 27 - HA THR 25 far 4 80 5 - 4.0-6.8 H ASP 35 - HA THR 25 far 0 76 0 - 6.7-22.8 H ALA 34 - HA THR 25 far 0 66 0 - 6.8-23.0 H VAL 93 - HA SER 74 far 0 63 0 - 7.5-10.0 H THR 65 - HA THR 25 far 0 61 0 - 8.7-36.3 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (4.29, 4.29, 61.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 74 + HA SER 74 OK 100 100 - 100 HA THR 25 + HA THR 25 OK 98 98 - 100 Peak 2338 from cnoeabs.peaks (4.07, 4.29, 61.42 ppm; 3.71 A): 2 out of 7 assignments used, quality = 1.00: * HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.9-3.0 3.0=100 HA PHE 89 - HA SER 74 far 0 87 0 - 8.4-11.0 HB3 SER 74 - HA THR 25 far 0 98 0 - 8.5-30.2 HB2 SER 74 - HA THR 25 far 0 98 0 - 9.2-31.9 HB THR 65 - HA THR 25 far 0 98 0 - 9.9-37.6 HA GLU 44 - HA THR 25 far 0 80 0 - 10.0-34.3 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 7 assignments used, quality = 1.00: HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.6 3.0=100 * HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.9-3.0 3.0=100 HA PHE 89 - HA SER 74 far 0 89 0 - 8.4-11.0 HB3 SER 74 - HA THR 25 far 0 98 0 - 8.5-30.2 HB2 SER 74 - HA THR 25 far 0 98 0 - 9.2-31.9 HB THR 65 - HA THR 25 far 0 98 0 - 9.9-37.6 HA GLU 44 - HA THR 25 far 0 78 0 - 10.0-34.3 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 3.4-3.6 3.6=100 H GLY 75 - HA THR 25 far 0 98 0 - 9.6-28.3 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.99: * HA ASP 71 + HB2 SER 74 OK 89 100 100 89 3.4-4.2 7004/3.9=57, 2282=50...(4) HA ASP 71 + HB3 SER 74 OK 88 100 100 88 2.6-4.3 7004/3.9=57, 2283=50...(4) 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 5 assignments used, quality = 1.00: * H SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-3.1 3.9=100 H SER 74 + HB3 SER 74 OK 100 100 100 100 2.1-2.8 3.9=100 H VAL 93 - HB2 SER 74 far 0 63 0 - 8.3-11.1 H ALA 34 - HB3 SER 74 far 0 71 0 - 8.9-13.5 H VAL 93 - HB3 SER 74 far 0 63 0 - 9.7-11.9 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 13 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-2.6 3.0=100 HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.9-3.0 3.0=100 HA2 GLY 75 - HB3 SER 74 poor 14 65 35 61 4.3-5.0 2.9/7018=24, ~7018=15...(8) HA ALA 16 - HB3 SER 74 far 0 92 0 - 5.5-37.5 HA2 GLY 75 - HB2 SER 74 far 0 65 0 - 5.6-6.1 HA ALA 16 - HB2 SER 74 far 0 92 0 - 5.6-38.8 HA TYR 76 - HB3 SER 74 far 0 80 0 - 6.9-7.9 HA TYR 76 - HB2 SER 74 far 0 81 0 - 8.2-8.8 HA THR 25 - HB3 SER 74 far 0 100 0 - 8.5-30.2 HA ALA 15 - HB3 SER 74 far 0 99 0 - 8.7-38.9 HA LYS 19 - HB3 SER 74 far 0 73 0 - 8.8-30.3 HA ALA 15 - HB2 SER 74 far 0 99 0 - 8.8-40.5 HA THR 25 - HB2 SER 74 far 0 100 0 - 9.2-31.9 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 + HB3 SER 74 OK 100 100 100 100 2.3-3.1 4.6=100 * H GLY 75 + HB2 SER 74 OK 100 100 100 100 3.8-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.99: HA ASP 71 + HB2 SER 74 OK 89 100 100 89 3.4-4.2 7004/3.9=57, 2282=50...(4) * HA ASP 71 + HB3 SER 74 OK 88 100 100 88 2.6-4.3 7004/3.9=57, 2283=50...(4) 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 5 assignments used, quality = 1.00: * H SER 74 + HB3 SER 74 OK 100 100 100 100 2.1-2.8 3.9=100 H SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-3.1 3.9=100 H VAL 93 - HB2 SER 74 far 0 63 0 - 8.3-11.1 H ALA 34 - HB3 SER 74 far 0 71 0 - 8.9-13.5 H VAL 93 - HB3 SER 74 far 0 63 0 - 9.7-11.9 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 13 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-2.6 3.0=100 HA2 GLY 75 - HB3 SER 74 poor 14 65 35 61 4.3-5.0 2.9/7019=24, ~7018=15...(8) HA ALA 16 - HB3 SER 74 far 0 92 0 - 5.5-37.5 HA2 GLY 75 - HB2 SER 74 far 0 65 0 - 5.6-6.1 HA ALA 16 - HB2 SER 74 far 0 92 0 - 5.6-38.8 HA TYR 76 - HB3 SER 74 far 0 81 0 - 6.9-7.9 HA TYR 76 - HB2 SER 74 far 0 80 0 - 8.2-8.8 HA THR 25 - HB3 SER 74 far 0 100 0 - 8.5-30.2 HA ALA 15 - HB3 SER 74 far 0 99 0 - 8.7-38.9 HA LYS 19 - HB3 SER 74 far 0 73 0 - 8.8-30.3 HA ALA 15 - HB2 SER 74 far 0 99 0 - 8.8-40.5 HA THR 25 - HB2 SER 74 far 0 100 0 - 9.2-31.9 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 2.3-3.1 4.6=100 H GLY 75 + HB2 SER 74 OK 100 100 100 100 3.8-4.3 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 2.4-3.0 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 5 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 - 7.0-13.8 HA LEU 70 - HA2 GLY 75 far 0 78 0 - 8.3-9.8 HA3 GLY 14 - HA2 GLY 75 far 0 90 0 - 8.6-40.0 HA LYS 86 - HA2 GLY 75 far 0 90 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (8.04, 4.32, 45.60 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 76 + HA2 GLY 75 OK 100 100 100 100 2.9-3.5 3.5=100 H CYS 79 + HA2 GLY 75 OK 45 100 50 91 5.1-6.4 9697/9603=36, 11162=32...(9) H VAL 20 - HA2 GLY 75 far 0 83 0 - 6.5-32.0 H ALA 16 - HA2 GLY 75 far 0 95 0 - 9.3-36.6 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 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (4.32, 3.90, 45.60 ppm; 3.28 A): 1 out of 5 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 - 4.3-4.7 HA SER 74 - HA3 GLY 75 far 0 65 0 - 4.6-5.3 HA LEU 69 - HA3 GLY 75 far 0 95 0 - 8.7-11.1 HA LYS 24 - HA3 GLY 75 far 0 89 0 - 9.6-30.3 Violated in 0 structures by 0.00 A. Peak 2359 from cnoeabs.peaks (3.90, 3.90, 45.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + HA3 GLY 75 OK 100 100 - 100 Peak 2360 from cnoeabs.peaks (8.04, 3.90, 45.60 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 76 + HA3 GLY 75 OK 100 100 100 100 2.9-3.5 3.5=100 H CYS 79 + HA3 GLY 75 OK 29 100 35 84 5.4-6.6 9697/11186=35...(6) H VAL 20 - HA3 GLY 75 far 0 83 0 - 7.1-30.6 H ALA 16 - HA3 GLY 75 far 0 95 0 - 10.0-35.0 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 96 100 100 96 3.2-3.5 11162=38, 7035/3.6=30...(16) 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 2.4-3.0 3.0=100 HB3 ASP 78 - HA TYR 76 far 0 81 0 - 6.4-7.0 HB2 CYS 73 - HA TYR 76 far 0 97 0 - 6.8-7.9 HB3 ASP 35 - HA TYR 76 far 0 98 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (3.13, 4.31, 59.97 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HA TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (6.50, 4.31, 59.97 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HA TYR 76 OK 100 100 100 100 3.1-3.2 3.1=100 QE TYR 76 + HA TYR 76 OK 52 57 100 92 4.7-4.9 4.7=62, ~7030=32...(13) 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 4.7-4.9 4.7=100 QD TYR 76 + HA TYR 76 OK 57 57 100 100 3.1-3.2 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 3.4-3.6 3.6=100 H GLN 82 - HA TYR 76 far 0 95 0 - 9.9-11.4 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 2.4-2.8 3.8=100 H CYS 79 + HB2 TYR 76 OK 79 100 85 93 5.1-5.7 11162/3.0=39...(13) H SER 130 + HB2 ASP 131 OK 44 74 60 99 4.5-6.4 7891/7903=67...(14) H SER 130 - HB2 TYR 76 far 0 99 0 - 8.6-11.2 H CYS 125 - HB2 ASP 131 far 0 78 0 - 9.4-11.9 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 5 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 131 + HB2 ASP 131 OK 77 77 100 100 2.4-2.7 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 99 0 - 4.9-5.9 HA SER 74 - HB2 TYR 76 far 0 81 0 - 5.6-7.3 HA LEU 69 - HB2 TYR 76 far 0 85 0 - 6.6-8.3 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 2 assignments used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 CYS 45 - HB2 TYR 76 far 0 100 0 - 8.8-10.7 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 2.3-2.6 2.6=100 QE TYR 76 + HB2 TYR 76 OK 57 57 100 100 4.4-4.5 4.5=100 QE TYR 76 - HB2 ASP 131 far 0 38 0 - 9.8-10.8 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 4.4-4.5 4.5=100 QD TYR 76 + HB2 TYR 76 OK 57 57 100 100 2.3-2.6 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 78 0 - 9.8-10.8 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 2.5-4.3 4.5=100 H GLN 82 - HB2 TYR 76 far 0 95 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 2375 from cnoeabs.peaks (8.04, 3.13, 40.72 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.3-2.8 3.8=100 H CYS 79 + HB3 TYR 76 OK 82 100 90 91 5.1-5.6 11162/3.0=41...(11) H SER 130 - HB3 TYR 76 far 0 99 0 - 8.9-10.8 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 4 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 poor 20 99 20 - 5.0-5.9 HA SER 74 - HB3 TYR 76 far 0 81 0 - 5.7-7.1 HA LEU 69 - HB3 TYR 76 far 0 85 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (2.76, 3.13, 40.72 ppm; 4.46 A): 2 out of 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 OK 47 97 50 98 3.9-6.3 3.0/11160=46...(19) HB3 ASP 78 - HB3 TYR 76 far 0 81 0 - 7.9-9.0 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 2.3-2.6 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 2.3-2.6 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 2.3-4.2 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 2.8-2.8 3.0=100 H GLN 82 - HA VAL 77 far 0 95 0 - 7.4-8.8 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 2.4-2.6 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 3.2-3.2 3.2=100 QG2 VAL 133 - HA VAL 77 far 0 83 0 - 5.5-7.8 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (1.18, 3.45, 65.53 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 100 100 2.1-2.4 3.2=100 HG3 LYS 39 - HA VAL 77 far 0 71 0 - 8.5-11.4 QB ALA 41 - HA VAL 77 far 0 97 0 - 9.7-11.1 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 - 7.4-8.8 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 2.3-2.6 7042=100, 7043/2.1=76...(17) H GLN 82 - HB VAL 77 far 0 95 0 - 9.8-11.0 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 2.4-2.6 3.0=100 HA ILE 129 - HB VAL 77 far 0 93 0 - 7.2-9.2 HA LEU 42 - HB VAL 77 far 0 63 0 - 9.9-11.2 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 - 6.6-8.9 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 1 assignment used, quality = 1.00: * QG2 VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 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 3.6-3.9 7051=100, 7052/2.1=93...(17) H GLN 82 - HB VAL 77 far 0 68 0 - 9.8-11.0 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 1.9-2.6 7043=100, 7042/2.1=70...(24) H GLN 82 - QG1 VAL 77 far 0 95 0 - 8.7-9.9 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 3.2-3.2 3.2=100 HA ILE 129 - QG1 VAL 77 far 0 93 0 - 7.9-9.7 HA LEU 42 - QG1 VAL 77 far 0 63 0 - 9.3-10.7 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 1 assignment used, quality = 1.00: * HB VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 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 - 8.8-21.6 QG2 THR 18 - QG1 VAL 77 far 0 97 0 - 9.0-26.2 QB ALA 41 - QG1 VAL 77 far 0 97 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (7.58, 1.06, 19.25 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + QG1 VAL 77 OK 100 100 100 100 1.9-2.0 7052=100, 7051/2.1=53...(18) H GLN 82 - QG1 VAL 77 far 0 68 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (7.54, 1.18, 22.07 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + QG2 VAL 77 OK 100 100 100 100 3.7-3.8 7044=100, 7043/2.1=80...(21) H GLN 82 - QG2 VAL 77 far 0 95 0 - 7.0-7.9 Violated in 20 structures by 0.09 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 2.1-2.4 3.2=100 HA ILE 129 - QG2 VAL 77 far 0 93 0 - 6.7-8.6 HA LEU 42 - QG2 VAL 77 far 0 63 0 - 9.7-11.2 HA VAL 126 - QG2 VAL 77 far 0 93 0 - 9.8-11.3 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 - 5.6-8.1 Violated in 0 structures by 0.00 A. Peak 2404 from cnoeabs.peaks (1.18, 1.18, 22.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 77 + QG2 VAL 77 OK 100 100 - 100 Peak 2405 from cnoeabs.peaks (7.58, 1.18, 22.07 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + QG2 VAL 77 OK 100 100 100 100 3.3-3.9 7053=100, 7052/2.1=95...(21) H GLN 82 - QG2 VAL 77 far 0 68 0 - 7.0-7.9 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 2.8-2.9 2.9=100 H GLN 82 - HA ASP 78 far 0 68 0 - 8.7-10.1 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 2.7-3.0 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 2.2-2.3 3.0=100 HB2 TYR 76 - HA ASP 78 far 0 81 0 - 7.6-8.4 HB2 CYS 73 - HA ASP 78 far 0 97 0 - 8.4-10.6 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 2 assignments used, quality = 1.00: * H CYS 79 + HA ASP 78 OK 100 100 100 100 3.3-3.4 3.6=100 H TYR 76 - HA ASP 78 far 0 100 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 2411 from cnoeabs.peaks (7.58, 2.51, 39.87 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.1-2.3 7055=100, 7056/1.8=81...(7) Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (4.38, 2.51, 39.87 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.7-3.0 3.0=100 HA CYS 73 - HB2 ASP 78 far 0 100 0 - 6.7-8.7 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 - 6.8-7.9 HB2 CYS 73 - HB2 ASP 78 far 0 97 0 - 7.9-10.0 HB3 ASP 35 - HB2 ASP 78 far 0 96 0 - 9.8-17.2 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 3.4-4.1 4.3=100 H TYR 76 + HB2 ASP 78 OK 66 100 70 94 4.9-6.3 7033/7055=67...(5) H VAL 20 - HB2 ASP 78 far 0 83 0 - 8.0-35.7 H ALA 16 - HB2 ASP 78 far 0 95 0 - 9.4-40.4 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 2 assignments used, quality = 1.00: * H ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.8-3.5 7056=100, 7055/1.8=86...(6) HE22 GLN 61 - HB2 ASP 64 far 3 59 5 - 4.2-10.2 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 3 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.2-2.3 3.0=100 HA SER 33 - HB3 ASP 35 far 0 49 0 - 4.6-7.1 HA CYS 73 - HB3 ASP 78 far 0 100 0 - 8.1-10.1 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 3 assignments used, quality = 1.00: * HB2 ASP 78 + HB3 ASP 78 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 11 - HB2 ASP 64 far 0 77 0 - 7.4-43.4 HB2 ASP 78 - HB3 ASP 35 far 0 56 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (2.74, 2.74, 39.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + HB3 ASP 78 OK 100 100 - 100 HB2 ASP 64 + HB2 ASP 64 OK 74 74 - 100 HB3 ASP 35 + HB3 ASP 35 OK 50 50 - 100 Peak 2420 from cnoeabs.peaks (8.04, 2.74, 39.87 ppm; 4.69 A): 1 out of 7 assignments used, quality = 1.00: * H CYS 79 + HB3 ASP 78 OK 100 100 100 100 4.4-4.5 4.3=100 H VAL 20 - HB3 ASP 35 far 0 40 0 - 5.9-27.2 H TYR 76 - HB3 ASP 78 far 0 100 0 - 6.5-7.8 H VAL 20 - HB3 ASP 78 far 0 83 0 - 8.5-36.8 H ALA 16 - HB3 ASP 35 far 0 49 0 - 8.6-31.3 H ALA 52 - HB2 ASP 64 far 0 72 0 - 9.5-13.2 H ALA 16 - HB3 ASP 78 far 0 95 0 - 10.0-41.5 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 4 assignments used, quality = 1.00: * H CYS 79 + HA CYS 79 OK 100 100 100 100 2.9-2.9 2.9=100 H CYS 79 - HA ILE 80 far 6 58 10 - 4.4-4.9 H TYR 76 - HA CYS 79 far 0 100 0 - 7.3-7.8 H TYR 76 - HA ILE 80 far 0 58 0 - 7.5-8.7 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 4 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 100 100 2.6-2.7 3.0=100 HB2 CYS 79 + HA ILE 80 OK 55 58 100 95 4.2-4.7 2427=44, 11214/4.1=36...(14) HB2 LEU 100 + HA GLN 101 OK 37 69 55 98 3.8-5.7 7411/2.9=54, ~7412=38...(16) HB3 ARG 135 - HA ILE 80 far 0 40 0 - 8.0-11.3 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (2.61, 4.11, 58.55 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 CYS 79 + HA ILE 80 OK 34 58 65 91 4.6-4.7 2432=40, 11166/3.0=35...(14) HB2 ASN 59 - HA GLN 101 far 0 81 0 - 8.0-12.0 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 3.4-3.5 3.6=100 H ILE 80 + HA ILE 80 OK 58 58 100 100 2.6-2.8 3.0=100 HE21 GLN 104 + HA GLN 101 OK 52 80 75 87 4.2-7.1 7502=29, 3.5/3442=27...(8) HE21 GLN 82 - HA ILE 80 far 0 43 0 - 6.9-9.6 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 2 assignments used, quality = 1.00: * H CYS 79 + HB2 CYS 79 OK 100 100 100 100 3.5-3.6 3.9=100 H TYR 76 - HB2 CYS 79 far 0 100 0 - 6.7-7.0 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 2.6-2.7 3.0=100 HA ILE 80 + HB2 CYS 79 OK 82 85 100 96 4.2-4.7 4.1/11214=41...(15) 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 3.6-4.0 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 2.2-2.4 3.9=100 H TYR 76 - HB3 CYS 79 far 10 100 10 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (4.11, 2.61, 27.19 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB3 CYS 79 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 80 + HB3 CYS 79 OK 77 85 100 91 4.6-4.7 3.0/11166=38...(14) Violated in 0 structures by 0.00 A. Peak 2433 from cnoeabs.peaks (1.84, 2.61, 27.19 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB3 CYS 79 far 0 65 0 - 9.3-31.8 HB2 LYS 36 - HB3 CYS 79 far 0 78 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 2434 from cnoeabs.peaks (2.61, 2.61, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB3 CYS 79 OK 100 100 - 100 Peak 2435 from cnoeabs.peaks (6.96, 2.61, 27.19 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + HB3 CYS 79 OK 100 100 100 100 3.0-3.4 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 2.6-2.8 3.0=100 H ILE 80 + HA CYS 79 OK 58 58 100 100 3.4-3.5 3.6=100 HE21 GLN 82 - HA ILE 80 far 0 85 0 - 6.9-9.6 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (4.12, 4.12, 58.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 HA CYS 79 + HA CYS 79 OK 43 43 - 100 Peak 2438 from cnoeabs.peaks (1.74, 4.12, 58.67 ppm; 5.23 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 100 100 2.8-3.0 3.0=100 HB ILE 80 + HA CYS 79 OK 58 58 100 100 5.2-5.7 7073/3.6=90, 9700/2.9=79...(23) HB2 LYS 39 - HA ILE 80 poor 15 73 20 - 5.8-10.2 HD3 LYS 39 - HA ILE 80 far 0 73 0 - 6.1-11.3 HB2 LYS 39 - HA CYS 79 far 0 36 0 - 8.3-12.2 HG3 ARG 90 - HA ILE 80 far 0 100 0 - 8.4-11.2 HG2 ARG 135 - HA ILE 80 far 0 65 0 - 8.6-11.2 HD3 LYS 39 - HA CYS 79 far 0 36 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (0.81, 4.12, 58.67 ppm; 4.24 A): 3 out of 7 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.3-3.0 3.2=100 HG13 ILE 80 + HA ILE 80 OK 97 97 100 100 2.6-3.4 4.1=100 QG1 VAL 133 + HA ILE 80 OK 45 76 70 85 3.2-7.6 10574/11784=31...(14) QG2 ILE 80 - HA CYS 79 poor 12 58 20 - 5.1-6.1 HG13 ILE 80 - HA CYS 79 far 0 54 0 - 5.3-7.6 QG1 VAL 133 - HA CYS 79 far 0 37 0 - 7.2-10.3 QG2 ILE 129 - HA ILE 80 far 0 99 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (1.21, 4.12, 58.67 ppm; 6.21 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 100 100 1.9-2.8 4.1=100 HG12 ILE 80 + HA CYS 79 OK 58 58 100 100 5.3-6.9 7075/3.6=98, ~11214=72...(16) QG2 THR 83 - HA ILE 80 far 0 60 0 - 7.6-8.2 QG2 THR 83 - HA CYS 79 far 0 28 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (0.82, 4.12, 58.67 ppm; 4.50 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 2.6-3.4 4.1=100 QG2 ILE 80 + HA ILE 80 OK 97 97 100 100 2.3-3.0 3.2=100 QG1 VAL 133 + HA ILE 80 OK 66 95 75 93 3.2-7.6 10574/11784=48...(14) QG2 ILE 80 + HA CYS 79 OK 40 54 75 100 5.1-6.1 9698/2.9=52, ~9700=43...(25) HG13 ILE 80 - HA CYS 79 far 9 58 15 - 5.3-7.6 QG1 VAL 133 - HA CYS 79 far 0 51 0 - 7.2-10.3 QG2 ILE 129 - HA ILE 80 far 0 100 0 - 7.2-8.9 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 2.7-3.9 4.2=100 QD1 ILE 80 + HA CYS 79 OK 58 58 100 100 5.7-6.3 7077/3.6=99, 9699/2.9=86...(16) QG2 VAL 93 - HA ILE 80 far 0 83 0 - 8.3-10.1 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 2.2-2.6 3.9=100 HE21 GLN 82 - HB ILE 80 far 0 85 0 - 7.5-10.4 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 2.8-3.0 3.0=100 HA CYS 79 + HB ILE 80 OK 85 85 100 100 5.2-5.7 3.6/7073=97, 2.9/9700=85...(23) Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (1.74, 1.74, 38.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 2446 from cnoeabs.peaks (0.81, 1.74, 38.49 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 80 + HB ILE 80 OK 97 97 100 100 2.6-3.0 3.0=100 QG1 VAL 133 - HB ILE 80 far 0 76 0 - 5.0-7.8 QG2 ILE 129 - HB ILE 80 far 0 99 0 - 7.2-8.2 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 2.6-3.0 3.0=100 QG2 THR 83 - HB ILE 80 far 0 60 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (0.82, 1.74, 38.49 ppm; 4.56 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 QG2 ILE 80 + HB ILE 80 OK 97 97 100 100 2.1-2.1 2.1=100 QG1 VAL 133 + HB ILE 80 OK 47 95 50 100 5.0-7.8 10586/3.2=57, ~10588=45...(24) QG2 ILE 129 - HB ILE 80 far 0 100 0 - 7.2-8.2 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 - 7.6-8.7 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 3.3-3.8 4.0=100 HE21 GLN 82 - QG2 ILE 80 poor 17 85 20 - 4.4-6.8 H ILE 80 - QG2 ILE 129 far 0 70 0 - 7.7-8.4 HE21 GLN 82 - QG2 ILE 129 far 0 52 0 - 10.0-14.3 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 2.3-3.0 3.2=100 HA CYS 79 - QG2 ILE 80 far 0 85 0 - 5.1-6.1 HA ILE 80 - QG2 ILE 129 far 0 70 0 - 7.2-8.9 HA CYS 45 - QG2 ILE 129 far 0 69 0 - 8.1-9.3 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 17 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 1.9-2.4 3.2=100 HG2 ARG 135 - QG2 ILE 80 far 0 65 0 - 5.1-9.1 HG3 ARG 90 - QG2 ILE 129 far 0 68 0 - 5.7-7.7 HB3 LEU 70 - QG2 ILE 129 far 0 45 0 - 5.9-8.4 HG3 ARG 90 - QG2 ILE 80 far 0 100 0 - 6.6-8.6 HB2 LEU 43 - QG2 ILE 129 far 0 64 0 - 6.8-8.0 HB2 LEU 70 - QG2 ILE 129 far 0 40 0 - 6.9-8.9 HG2 ARG 135 - QG2 ILE 129 far 0 38 0 - 7.1-10.5 HD3 LYS 39 - QG2 ILE 80 far 0 73 0 - 7.2-10.4 HB ILE 80 - QG2 ILE 129 far 0 70 0 - 7.2-8.2 HB2 LYS 39 - QG2 ILE 80 far 0 73 0 - 7.5-9.7 HD3 LYS 39 - QG2 ILE 129 far 0 44 0 - 8.0-10.1 HG13 ILE 129 - QG2 ILE 80 far 0 99 0 - 8.4-11.4 HB2 LYS 39 - QG2 ILE 129 far 0 44 0 - 8.4-9.9 HG LEU 98 - QG2 ILE 129 far 0 36 0 - 9.7-11.5 HB2 LEU 43 - QG2 ILE 80 far 0 97 0 - 9.8-12.5 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 2.1-3.2 3.2=100 QG2 THR 83 + QG2 ILE 80 OK 24 60 75 54 3.9-5.3 11312/9821=20...(8) HG12 ILE 80 - QG2 ILE 129 far 0 70 0 - 6.0-6.9 QG2 THR 65 - QG2 ILE 129 far 0 54 0 - 7.5-9.2 QG2 THR 83 - QG2 ILE 129 far 0 35 0 - 9.9-10.5 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 2.3-3.1 3.1=100 QG2 VAL 93 + QG2 ILE 129 OK 50 51 100 99 1.8-2.8 9967/3.0=40...(38) QD1 ILE 80 - QG2 ILE 129 far 10 70 15 - 4.1-4.8 QG2 VAL 93 - QG2 ILE 80 far 0 83 0 - 7.3-8.1 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 2.1-3.9 4.4=100 HE21 GLN 82 - HG12 ILE 80 far 0 85 0 - 6.4-10.4 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 1.9-2.8 4.1=100 HA CYS 79 - HG12 ILE 80 far 4 85 5 - 5.3-6.9 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 7 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 39 - HG12 ILE 80 far 0 73 0 - 6.1-10.5 HB2 LYS 39 - HG12 ILE 80 far 0 73 0 - 6.5-9.4 HG2 ARG 135 - HG12 ILE 80 far 0 65 0 - 6.6-9.6 HG3 ARG 90 - HG12 ILE 80 far 0 100 0 - 7.4-9.6 HG13 ILE 129 - HG12 ILE 80 far 0 99 0 - 8.6-11.2 HB2 LEU 43 - HG12 ILE 80 far 0 97 0 - 9.6-12.5 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 2.1-3.2 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 64 76 85 99 2.6-6.3 ~10588=43, ~10588=39...(21) QG2 ILE 129 - HG12 ILE 80 far 0 99 0 - 6.0-6.9 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 2.1-3.2 3.2=100 QG1 VAL 133 + HG12 ILE 80 OK 74 95 80 98 2.6-6.3 10586/2.1=43, ~10588=38...(21) QG2 ILE 129 - HG12 ILE 80 far 0 100 0 - 6.0-6.9 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 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (6.96, 0.82, 27.07 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.0-4.6 4.4=100 HE21 GLN 82 - HG13 ILE 80 far 0 85 0 - 5.7-10.3 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 2.6-3.4 4.1=100 HA CYS 79 - HG13 ILE 80 poor 17 85 20 - 5.3-7.6 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.74, 0.82, 27.07 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 90 - HG13 ILE 80 poor 20 100 20 - 6.6-9.3 HD3 LYS 39 - HG13 ILE 80 far 4 73 5 - 7.4-11.3 HG2 ARG 135 - HG13 ILE 80 lone 3 65 45 11 6.2-10.6 11689/10531=8 HB2 LYS 39 - HG13 ILE 80 far 0 73 0 - 8.2-10.6 HG13 ILE 129 - HG13 ILE 80 far 0 99 0 - 8.6-11.2 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 - 6.2-8.5 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 - 7.1-8.0 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 2.7-3.4 7077=100, 7075/2.1=80...(21) HE21 GLN 82 - QD1 ILE 80 far 0 85 0 - 6.8-9.4 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 2.7-3.9 4.2=95, 3.0/7077=67...(18) HA CYS 79 - QD1 ILE 80 far 0 85 0 - 5.7-6.3 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 8 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 10 100 10 - 4.2-6.0 HG2 ARG 135 - QD1 ILE 80 far 0 65 0 - 5.5-9.0 HG13 ILE 129 - QD1 ILE 80 far 0 99 0 - 5.6-8.1 HD3 LYS 39 - QD1 ILE 80 far 0 73 0 - 6.7-9.5 HB2 LYS 39 - QD1 ILE 80 far 0 73 0 - 6.7-9.1 HB2 LEU 43 - QD1 ILE 80 far 0 97 0 - 9.1-10.6 HB3 LEU 70 - QD1 ILE 80 far 0 76 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (0.81, 0.27, 13.24 ppm; 3.19 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.3-3.1 3.1=100 HG13 ILE 80 + QD1 ILE 80 OK 97 97 100 100 2.1-2.1 2.1=100 QG1 VAL 133 + QD1 ILE 80 OK 63 76 85 98 2.3-4.7 2.1/10588=49...(31) QG2 ILE 129 - QD1 ILE 80 far 5 99 5 - 4.1-4.8 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 7.8-11.0 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.21, 0.27, 13.24 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 83 - QD1 ILE 80 far 0 60 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (0.82, 0.27, 13.24 ppm; 3.35 A): 3 out of 5 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 2.3-3.1 3.1=100 QG1 VAL 133 + QD1 ILE 80 OK 85 95 90 99 2.3-4.7 2.1/10588=55...(32) QG2 ILE 129 - QD1 ILE 80 poor 20 100 20 - 4.1-4.8 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 7.8-11.0 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, 11784/2.3=58...(25) HA3 GLY 114 - HD2 PRO 117 far 0 90 0 - 5.2-9.4 HA CYS 79 - HD2 PRO 81 far 0 85 0 - 5.5-7.1 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 - 5.5-7.1 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 2.0-2.3 3.8=100 HA CYS 79 - HD3 PRO 81 far 4 85 5 - 5.2-7.1 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 2.0-2.3 3.8=100 HD3 PRO 81 - HA CYS 79 far 3 58 5 - 5.2-7.1 HA ARG 135 - HA ILE 80 far 0 83 0 - 8.8-11.6 HA ILE 37 - HA CYS 79 far 0 46 0 - 8.9-11.7 HB2 SER 38 - HA ILE 80 far 0 76 0 - 9.2-10.8 HB2 SER 38 - HA CYS 79 far 0 37 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (2.00, 3.85, 51.18 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 117 + HD2 PRO 117 OK 85 85 100 100 3.9-3.9 3.0=100 HB2 GLN 134 - HD2 PRO 81 far 0 78 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 73 0 - 9.3-11.5 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 2.3-3.0 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 HB3 LYS 39 - HD2 PRO 81 far 3 63 5 - 5.2-9.0 HB VAL 118 - HD2 PRO 117 far 0 89 0 - 6.0-6.6 HG3 ARG 135 - HD2 PRO 81 far 0 87 0 - 7.0-10.4 HG3 PRO 113 - HD2 PRO 117 far 0 85 0 - 7.9-12.6 HB2 GLN 134 - HD2 PRO 81 far 0 57 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 63 0 - 9.3-11.5 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 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 83 0 - 7.4-11.0 HA LEU 103 - HD2 PRO 117 far 0 67 0 - 7.9-10.2 HA LEU 119 - HD2 PRO 117 far 0 83 0 - 8.4-9.4 HB2 SER 38 - HD2 PRO 81 far 0 76 0 - 9.1-11.6 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 - 8.7-13.1 HG2 ARG 90 - HD3 PRO 81 far 0 73 0 - 9.5-11.9 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 5 assignments used, quality = 1.00: * HG3 PRO 81 + HD3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 LYS 39 - HD3 PRO 81 poor 7 63 35 31 4.3-8.8 ~10144=12, ~10144=5...(8) HG3 ARG 135 - HD3 PRO 81 far 0 87 0 - 6.7-11.1 HB2 GLN 134 - HD3 PRO 81 far 0 57 0 - 8.7-13.1 HG2 ARG 90 - HD3 PRO 81 far 0 63 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2488 from cnoeabs.peaks (3.85, 4.04, 51.18 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 40 - HD3 PRO 81 far 0 97 0 - 9.1-14.2 HB2 SER 130 - HD3 PRO 81 far 0 57 0 - 9.8-15.4 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 10 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 - 5.1-5.8 HB3 GLU 55 - HG3 PRO 56 far 0 67 0 - 5.6-6.6 HB3 LYS 39 - HG2 PRO 81 far 0 63 0 - 5.7-9.9 HG3 ARG 135 - HG2 PRO 81 far 0 87 0 - 6.3-11.2 HG3 PRO 113 - HG3 PRO 56 far 0 66 0 - 6.3-10.3 HG3 PRO 113 - HG2 PRO 56 far 0 66 0 - 7.1-11.6 HB2 GLN 134 - HG2 PRO 81 far 0 57 0 - 7.5-13.2 HG3 PRO 58 - HG2 PRO 56 far 0 51 0 - 8.9-9.5 HG2 PRO 58 - HG2 PRO 56 far 0 45 0 - 9.4-9.7 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 1 assignment used, quality = 1.00: * HD2 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 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 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 83 0 - 6.6-11.4 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (2.00, 2.05, 27.30 ppm; 2.50 A): 3 out of 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 HB3 PRO 56 - HG3 PRO 113 far 0 84 0 - 5.0-9.9 HB2 GLN 134 - HG3 ARG 135 far 0 44 0 - 5.5-8.0 HG2 PRO 81 - HG3 ARG 135 far 0 65 0 - 6.3-11.2 HG3 PRO 56 - HG3 PRO 113 far 0 80 0 - 6.3-10.3 HB2 GLN 134 - HG3 PRO 81 far 0 78 0 - 6.8-13.0 HG2 PRO 56 - HG3 PRO 113 far 0 80 0 - 7.1-11.6 HB ILE 129 - HG3 ARG 135 far 0 65 0 - 9.0-12.0 HB2 GLU 55 - HG3 PRO 113 far 0 81 0 - 9.3-13.7 HB2 GLU 91 - HG3 ARG 135 far 0 65 0 - 9.7-12.7 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 8 assignments used, quality = 1.00: * HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-3.0 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 - 7.0-10.4 HD2 PRO 117 - HG3 PRO 113 far 0 81 0 - 7.9-12.6 HB2 SER 130 - HG3 ARG 135 far 0 31 0 - 8.1-12.1 HA GLU 40 - HG3 PRO 81 far 0 97 0 - 8.8-16.0 HB2 SER 130 - HG3 PRO 81 far 0 57 0 - 9.9-16.4 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 2.7-4.2 4.2=91, 4308/1.8=69...(14) HD3 PRO 81 - HG3 ARG 135 far 0 65 0 - 6.7-11.1 HA ARG 135 - HG3 PRO 81 far 0 83 0 - 6.8-10.7 HA LEU 103 - HG2 PRO 117 far 0 80 0 - 6.9-9.2 HA LEU 119 - HG2 PRO 117 far 0 95 0 - 7.9-8.8 HA LEU 103 - HG3 PRO 117 far 0 81 0 - 8.3-10.7 HA GLU 102 - HG2 PRO 117 far 0 94 0 - 8.5-10.8 HA LEU 119 - HG3 PRO 117 far 0 96 0 - 9.2-10.0 HA LEU 122 - HG2 PRO 117 far 0 95 0 - 9.7-11.1 HA GLU 102 - HG3 PRO 117 far 0 95 0 - 10.0-12.4 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 2.1-4.1 3.5=100 HE21 GLN 82 + HG3 GLN 82 OK 94 94 100 100 2.1-3.7 3.5=100 HE21 GLN 104 - HG2 GLN 101 poor 6 31 20 - 5.7-9.9 H ILE 80 - HG3 GLN 82 far 0 75 0 - 6.8-10.5 H ILE 80 - HG2 GLN 82 far 0 85 0 - 8.5-10.9 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 3.3-4.0 3.5=100 HE22 GLN 82 + HG3 GLN 82 OK 94 94 100 100 2.1-4.1 3.5=100 H VAL 105 - HG2 GLN 101 far 2 44 5 - 4.3-8.0 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 2.1-3.7 3.5=100 HE21 GLN 82 + HG2 GLN 82 OK 94 94 100 100 2.1-4.1 3.5=100 H ILE 80 - HG3 GLN 82 far 0 85 0 - 6.8-10.5 H ILE 80 - HG2 GLN 82 far 0 75 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 2505 from cnoeabs.peaks (7.64, 2.45, 33.62 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.1-4.1 3.5=100 HE22 GLN 82 + HG2 GLN 82 OK 94 94 100 100 3.3-4.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (3.75, 3.75, 66.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HA THR 83 OK 100 100 - 100 Peak 2507 from cnoeabs.peaks (4.17, 3.75, 66.49 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (1.24, 3.75, 66.49 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HA THR 83 OK 100 100 100 100 2.1-2.4 3.2=100 HG12 ILE 80 - HA THR 83 far 0 60 0 - 6.2-7.6 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (9.00, 3.75, 66.49 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HA THR 83 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (8.34, 3.75, 66.49 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA THR 83 OK 100 100 100 100 3.0-3.2 7129=100, 11241/2517=78...(17) Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (1.79, 3.75, 66.49 ppm; 5.17 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA THR 83 OK 100 100 100 100 2.2-4.5 2624=100, 1.8/2636=97...(18) HB2 ARG 84 + HA THR 83 OK 70 93 75 100 5.6-6.6 7091/3.6=82, 9757/3.0=71...(17) HB3 ARG 135 - HA THR 83 far 0 76 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2512 from cnoeabs.peaks (1.95, 3.75, 66.49 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA THR 83 OK 100 100 100 100 2.0-3.6 2636=100, 1.8/2624=92...(17) HB3 PRO 81 - HA THR 83 far 0 97 0 - 7.0-7.8 HB3 ARG 90 - HA THR 83 far 0 100 0 - 8.9-11.1 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 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (9.00, 4.17, 68.68 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HB THR 83 OK 100 100 100 100 2.4-2.8 7088=100, 2520/2.1=62...(15) Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (3.75, 1.24, 22.04 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 83 + QG2 THR 83 OK 99 100 100 99 2.1-2.4 3.2=99 HA VAL 133 - QG2 THR 83 far 0 81 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 2518 from cnoeabs.peaks (4.17, 1.24, 22.04 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2519 from cnoeabs.peaks (1.24, 1.24, 22.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 83 + QG2 THR 83 OK 100 100 - 100 Peak 2520 from cnoeabs.peaks (9.00, 1.24, 22.04 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + QG2 THR 83 OK 100 100 100 100 3.5-3.9 7089=86, 7088/2.1=74...(10) Violated in 12 structures by 0.03 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 2.3-3.0 3.0=100 HB2 LYS 86 - HA ARG 84 far 0 93 0 - 5.2-6.7 HB3 ARG 135 - HA ARG 84 far 0 98 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 2524 from cnoeabs.peaks (1.90, 4.25, 59.13 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 135 - HA ARG 84 far 0 100 0 - 7.8-10.0 HB2 ARG 90 - HA ARG 84 far 0 98 0 - 9.2-11.5 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 2.3-4.0 3.9=100 HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 QB ALA 88 + HA ARG 84 OK 46 73 75 83 5.0-6.3 2750/4.9=39, 3.0/7173=28...(9) HD3 LYS 86 - HA ARG 84 far 0 78 0 - 6.5-8.7 HD2 LYS 86 - HA ARG 84 far 0 78 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2526 from cnoeabs.peaks (1.64, 4.25, 59.13 ppm; 4.83 A): 3 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 * HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 QB ALA 88 + HA ARG 84 OK 46 73 75 83 5.0-6.3 2750/4.9=39, 3.0/7173=28...(9) HD3 LYS 86 - HA ARG 84 far 0 78 0 - 6.5-8.7 HD2 LYS 86 - HA ARG 84 far 0 78 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (3.20, 4.25, 59.13 ppm; 6.42 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.4 5.0=100 * HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.1-5.4 5.0=100 HD2 ARG 90 - HA ARG 84 far 0 68 0 - 8.6-12.1 HD3 ARG 90 - HA ARG 84 far 0 63 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (3.20, 4.25, 59.13 ppm; 6.42 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.4 5.0=100 HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.1-5.4 5.0=100 HD2 ARG 90 - HA ARG 84 far 0 68 0 - 8.6-12.1 HD3 ARG 90 - HA ARG 84 far 0 63 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 2529 from cnoeabs.peaks (7.27, 4.25, 59.13 ppm; 4.58 A): 3 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 3.7-5.1 11859=61, 2.9/2570=38...(24) QE PHE 87 + HA ARG 84 OK 32 100 40 79 4.6-7.3 6.3/2530=32, 4.4/2532=27...(8) HD21 ASN 85 - HA ARG 84 far 0 78 0 - 6.9-7.7 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 2 assignments used, quality = 0.99: * H PHE 87 + HA ARG 84 OK 99 100 100 99 3.8-4.1 7151=52, 11240/9782=40...(15) H GLU 91 - HA ARG 84 far 0 98 0 - 8.9-9.6 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 3.4-4.1 4.0/2530=81...(16) HB3 PHE 87 + HA ARG 84 OK 98 100 100 98 4.3-5.6 4.0/2530=81, 1.8/2725=40...(11) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 6.7-12.3 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 100 100 100 100 3.4-4.1 4.0/2530=80...(16) * HB3 PHE 87 + HA ARG 84 OK 98 100 100 98 4.3-5.6 4.0/2530=80, 1.8/2725=40...(11) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 6.7-12.3 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 2.2-3.6 7091=100, 7092/1.8=88...(16) 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 2.3-3.0 3.0=100 HA PHE 87 - HB2 ARG 84 far 0 89 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 2535 from cnoeabs.peaks (1.81, 1.81, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 Peak 2536 from cnoeabs.peaks (1.90, 1.81, 29.31 ppm; 2.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 135 - HB2 ARG 84 far 0 100 0 - 5.9-9.7 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: * HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 73 0 - 4.9-6.9 HD3 LYS 86 - HB2 ARG 84 far 0 78 0 - 8.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 78 0 - 8.6-11.0 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: HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 73 0 - 4.9-6.9 HD3 LYS 86 - HB2 ARG 84 far 0 78 0 - 8.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 78 0 - 8.6-11.0 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 2.3-4.0 4.0=100 * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-4.2 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 2.3-4.0 4.0=100 HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-4.2 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 2.6-4.2 4.7=97, 3.7/7091=75...(16) HE ARG 84 + HB2 ARG 84 OK 90 90 100 100 2.0-5.2 5.1=76, 11859/3.0=48...(18) HD21 ASN 85 + HB2 ARG 84 OK 35 78 60 74 4.5-7.6 9797/11364=23...(15) QE PHE 87 - HB2 ARG 84 far 0 100 0 - 6.9-9.8 Violated in 0 structures by 0.00 A. Peak 2542 from cnoeabs.peaks (9.00, 1.90, 29.31 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.5 7092=100, 7091/1.8=82...(12) Violated in 0 structures by 0.00 A. Peak 2543 from cnoeabs.peaks (4.25, 1.90, 29.31 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HA PHE 87 - HB3 ARG 84 far 0 89 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 2544 from cnoeabs.peaks (1.81, 1.90, 29.31 ppm; 2.85 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 135 - HB3 ARG 84 far 0 98 0 - 5.9-9.3 HB2 LYS 86 - HB3 ARG 84 far 0 93 0 - 6.6-8.6 Violated in 0 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (1.90, 1.90, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 Peak 2546 from cnoeabs.peaks (1.64, 1.90, 29.31 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 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 73 0 - 5.0-7.4 HD3 LYS 86 - HB3 ARG 84 far 0 78 0 - 7.9-10.5 HD2 LYS 86 - HB3 ARG 84 far 0 78 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 2547 from cnoeabs.peaks (1.64, 1.90, 29.31 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 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 73 0 - 5.0-7.4 HD3 LYS 86 - HB3 ARG 84 far 0 78 0 - 7.9-10.5 HD2 LYS 86 - HB3 ARG 84 far 0 78 0 - 8.7-10.6 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 2 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.0-4.0 4.0=100 HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=100 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 2 assignments used, quality = 1.00: HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.0-4.0 4.0=100 * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 2550 from cnoeabs.peaks (7.27, 1.90, 29.31 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB3 ARG 84 OK 100 100 100 100 2.7-4.2 4.7=100 HE ARG 84 + HB3 ARG 84 OK 90 90 100 100 2.5-4.6 5.1=100 HD21 ASN 85 - HB3 ARG 84 poor 16 78 20 - 5.1-7.6 QE PHE 87 - HB3 ARG 84 far 0 100 0 - 6.6-9.6 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 + HG3 ARG 84 OK 100 100 100 100 2.0-4.5 4.6=100 * H ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 2552 from cnoeabs.peaks (4.25, 1.64, 26.79 ppm; 4.61 A): 3 out of 27 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 HA LEU 22 + HG LEU 22 OK 41 41 100 100 2.2-4.3 4.3=100 HA LEU 22 - HG3 ARG 23 poor 17 58 30 - 4.4-6.9 HA LYS 19 - HG LEU 22 far 4 42 10 - 4.7-11.0 HA ALA 28 - HG3 ARG 23 far 4 73 5 - 3.8-15.9 HA LYS 19 - HG3 ARG 23 far 3 60 5 - 4.6-13.3 HA GLN 27 - HG LEU 22 far 3 57 5 - 3.8-15.8 HA ALA 28 - HG LEU 22 far 0 53 0 - 5.7-18.8 HA LYS 31 - HG LEU 22 far 0 28 0 - 5.7-24.5 HA LYS 26 - HG3 ARG 23 far 0 56 0 - 5.9-10.2 HA GLN 27 - HG3 ARG 23 far 0 78 0 - 6.0-13.0 HA GLU 30 - HG LEU 22 far 0 38 0 - 6.0-23.5 HA ALA 29 - HG3 ARG 23 far 0 60 0 - 6.3-19.0 HA LYS 31 - HG3 ARG 23 far 0 40 0 - 6.3-22.1 HB THR 115 - HG LEU 119 far 0 36 0 - 6.6-9.6 HA LYS 26 - HG LEU 22 far 0 39 0 - 6.7-12.9 HA PHE 87 - HG3 ARG 84 far 0 89 0 - 6.8-9.9 HA GLU 30 - HG3 ARG 23 far 0 54 0 - 7.5-21.3 HA ALA 108 - HG LEU 119 far 0 31 0 - 7.7-15.2 HA PHE 87 - HG2 ARG 84 far 0 89 0 - 7.8-9.4 HA ALA 29 - HG LEU 22 far 0 42 0 - 7.9-20.2 HB3 SER 38 - HG LEU 43 far 0 55 0 - 8.2-9.3 HA ALA 16 - HG3 ARG 23 far 0 42 0 - 8.2-17.9 HA ALA 109 - HG LEU 119 far 0 31 0 - 8.3-13.5 HA ALA 16 - HG LEU 22 far 0 29 0 - 9.1-16.0 HA LYS 36 - HG LEU 43 far 0 50 0 - 9.8-13.7 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 22 assignments used, quality = 1.00: * HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 LYS 19 - HG3 ARG 23 far 4 78 5 - 3.6-12.6 HB3 LEU 103 - HG LEU 119 far 3 52 5 - 3.9-10.0 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 4.8-9.2 HB3 LYS 24 - HG3 ARG 23 far 0 77 0 - 4.8-9.0 HB3 LYS 24 - HG LEU 22 far 0 56 0 - 4.9-8.8 HB3 LYS 31 - HG3 ARG 23 far 0 78 0 - 5.2-19.8 HB3 LYS 26 - HG3 ARG 23 far 0 73 0 - 5.4-12.7 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 5.5-10.1 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 53 0 - 5.7-9.1 HB2 LYS 86 - HG2 ARG 84 far 0 93 0 - 6.1-9.8 HB3 ARG 23 - HG LEU 22 far 0 49 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 6.5-8.9 HB3 LYS 19 - HG LEU 22 far 0 57 0 - 6.9-11.6 HB2 LYS 86 - HG3 ARG 84 far 0 93 0 - 7.4-10.0 HB3 LYS 26 - HG LEU 22 far 0 53 0 - 7.8-15.3 HB ILE 32 - HG3 ARG 23 far 0 74 0 - 8.1-23.7 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 54 0 - 8.5-24.0 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 10 assignments used, quality = 1.00: HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 40 - HG LEU 43 far 0 85 0 - 5.0-6.7 HB2 ARG 135 - HG3 ARG 84 far 0 100 0 - 5.2-9.0 HB2 PRO 113 - HG LEU 119 far 0 62 0 - 5.6-10.2 HB2 ARG 135 - HG2 ARG 84 far 0 100 0 - 5.9-10.2 HB3 LEU 123 - HG LEU 119 far 0 38 0 - 6.5-8.9 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 7.9-11.4 HB3 LEU 49 - HG LEU 119 far 0 57 0 - 8.0-12.9 HB2 ARG 135 - HG LEU 43 far 0 86 0 - 9.0-11.9 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 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 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 4.04 A): 6 out of 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 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2559 from cnoeabs.peaks (7.27, 1.64, 26.79 ppm; 6.80 A): 7 out of 9 assignments used, quality = 1.00: * H ASN 85 + HG2 ARG 84 OK 100 100 100 100 2.0-5.2 ~11320=54, 3.7/7093=49...(19) H ASN 85 + HG3 ARG 84 OK 100 100 100 100 2.9-5.4 ~11320=54, 3.7/7093=49...(18) HE ARG 84 + HG2 ARG 84 OK 90 90 100 100 2.1-3.8 3.6=100 HE ARG 84 + HG3 ARG 84 OK 90 90 100 100 2.1-4.0 3.6=100 HD21 ASN 85 + HG3 ARG 84 OK 61 78 85 91 4.8-8.0 ~9807=33, 3.5/11278=25...(14) HD21 ASN 85 + HG2 ARG 84 OK 47 78 65 93 4.2-8.6 ~9807=33, 9799/3.0=24...(17) QE PHE 87 + HG2 ARG 84 OK 25 100 40 62 6.4-9.8 2529/3.9=24, ~11349=19...(8) QE PHE 87 - HG3 ARG 84 poor 15 100 25 60 6.2-10.2 2529/3.9=24, ~11349=19...(6) HD21 ASN 85 - HG LEU 43 far 0 61 0 - 9.6-12.3 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 + HG3 ARG 84 OK 100 100 100 100 2.0-4.5 4.6=100 H ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 2561 from cnoeabs.peaks (4.25, 1.64, 26.79 ppm; 4.61 A): 3 out of 27 assignments used, quality = 1.00: HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 HA LEU 22 + HG LEU 22 OK 41 41 100 100 2.2-4.3 4.3=100 HA LEU 22 - HG3 ARG 23 poor 17 58 30 - 4.4-6.9 HA LYS 19 - HG LEU 22 far 4 42 10 - 4.7-11.0 HA ALA 28 - HG3 ARG 23 far 4 73 5 - 3.8-15.9 HA LYS 19 - HG3 ARG 23 far 3 60 5 - 4.6-13.3 HA GLN 27 - HG LEU 22 far 3 57 5 - 3.8-15.8 HA ALA 28 - HG LEU 22 far 0 53 0 - 5.7-18.8 HA LYS 31 - HG LEU 22 far 0 28 0 - 5.7-24.5 HA LYS 26 - HG3 ARG 23 far 0 56 0 - 5.9-10.2 HA GLN 27 - HG3 ARG 23 far 0 78 0 - 6.0-13.0 HA GLU 30 - HG LEU 22 far 0 38 0 - 6.0-23.5 HA ALA 29 - HG3 ARG 23 far 0 60 0 - 6.3-19.0 HA LYS 31 - HG3 ARG 23 far 0 40 0 - 6.3-22.1 HB THR 115 - HG LEU 119 far 0 36 0 - 6.6-9.6 HA LYS 26 - HG LEU 22 far 0 39 0 - 6.7-12.9 HA PHE 87 - HG3 ARG 84 far 0 89 0 - 6.8-9.9 HA GLU 30 - HG3 ARG 23 far 0 54 0 - 7.5-21.3 HA ALA 108 - HG LEU 119 far 0 31 0 - 7.7-15.2 HA PHE 87 - HG2 ARG 84 far 0 89 0 - 7.8-9.4 HA ALA 29 - HG LEU 22 far 0 42 0 - 7.9-20.2 HB3 SER 38 - HG LEU 43 far 0 55 0 - 8.2-9.3 HA ALA 16 - HG3 ARG 23 far 0 42 0 - 8.2-17.9 HA ALA 109 - HG LEU 119 far 0 31 0 - 8.3-13.5 HA ALA 16 - HG LEU 22 far 0 29 0 - 9.1-16.0 HA LYS 36 - HG LEU 43 far 0 50 0 - 9.8-13.7 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 22 assignments used, quality = 1.00: HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 LYS 19 - HG3 ARG 23 far 4 78 5 - 3.6-12.6 HB3 LEU 103 - HG LEU 119 far 3 52 5 - 3.9-10.0 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 4.8-9.2 HB3 LYS 24 - HG3 ARG 23 far 0 77 0 - 4.8-9.0 HB3 LYS 24 - HG LEU 22 far 0 56 0 - 4.9-8.8 HB3 LYS 31 - HG3 ARG 23 far 0 78 0 - 5.2-19.8 HB3 LYS 26 - HG3 ARG 23 far 0 73 0 - 5.4-12.7 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 5.5-10.1 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 53 0 - 5.7-9.1 HB2 LYS 86 - HG2 ARG 84 far 0 93 0 - 6.1-9.8 HB3 ARG 23 - HG LEU 22 far 0 49 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 6.5-8.9 HB3 LYS 19 - HG LEU 22 far 0 57 0 - 6.9-11.6 HB2 LYS 86 - HG3 ARG 84 far 0 93 0 - 7.4-10.0 HB3 LYS 26 - HG LEU 22 far 0 53 0 - 7.8-15.3 HB ILE 32 - HG3 ARG 23 far 0 74 0 - 8.1-23.7 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 54 0 - 8.5-24.0 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 10 assignments used, quality = 1.00: * HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 40 - HG LEU 43 far 0 85 0 - 5.0-6.7 HB2 ARG 135 - HG3 ARG 84 far 0 100 0 - 5.2-9.0 HB2 PRO 113 - HG LEU 119 far 0 62 0 - 5.6-10.2 HB2 ARG 135 - HG2 ARG 84 far 0 100 0 - 5.9-10.2 HB3 LEU 123 - HG LEU 119 far 0 38 0 - 6.5-8.9 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 7.9-11.4 HB3 LEU 49 - HG LEU 119 far 0 57 0 - 8.0-12.9 HB2 ARG 135 - HG LEU 43 far 0 86 0 - 9.0-11.9 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 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 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2567 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 4.04 A): 6 out of 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 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2568 from cnoeabs.peaks (7.27, 1.64, 26.79 ppm; 6.80 A): 7 out of 9 assignments used, quality = 1.00: H ASN 85 + HG2 ARG 84 OK 100 100 100 100 2.0-5.2 ~11320=54, 3.7/7093=49...(19) * H ASN 85 + HG3 ARG 84 OK 100 100 100 100 2.9-5.4 ~11320=54, 3.7/7093=49...(18) HE ARG 84 + HG2 ARG 84 OK 90 90 100 100 2.1-3.8 3.6=100 HE ARG 84 + HG3 ARG 84 OK 90 90 100 100 2.1-4.0 3.6=100 HD21 ASN 85 + HG3 ARG 84 OK 61 78 85 91 4.8-8.0 ~9807=33, 3.5/11278=25...(14) HD21 ASN 85 + HG2 ARG 84 OK 47 78 65 93 4.2-8.6 ~9807=33, 9799/3.0=24...(17) QE PHE 87 + HG2 ARG 84 OK 25 100 40 62 6.4-9.8 2529/3.9=24, ~11349=19...(8) QE PHE 87 - HG3 ARG 84 poor 15 100 25 60 6.2-10.2 2529/3.9=24, ~11349=19...(6) HD21 ASN 85 - HG LEU 43 far 0 61 0 - 9.6-12.3 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 3.0-5.6 7092/4.0=76, 7091/4.0=75...(20) H ARG 84 + HD3 ARG 84 OK 95 100 95 100 3.8-5.8 7092/4.0=76, 7091/4.0=75...(20) Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (4.25, 3.20, 43.15 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.0-5.4 5.0=75, 11859/2.9=55...(31) * HA ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.1-5.4 5.0=75, 11859/2.9=55...(31) HA PHE 87 - HD3 ARG 84 far 0 89 0 - 6.3-11.0 HA PHE 87 - HD2 ARG 84 far 0 89 0 - 6.7-11.5 Violated in 0 structures by 0.00 A. Peak 2571 from cnoeabs.peaks (1.81, 3.20, 43.15 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-4.0 4.0=95, 1.8/2572=40...(25) * HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.3-4.2 4.0=95, 1.8/2572=40...(25) HB3 ARG 135 - HD2 ARG 84 far 0 98 0 - 5.0-10.3 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 6.6-10.1 HB2 LYS 86 - HD2 ARG 84 far 0 93 0 - 7.9-10.6 HB2 LYS 86 - HD3 ARG 84 far 0 93 0 - 8.0-10.9 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 + HD2 ARG 84 OK 100 100 100 100 2.0-4.0 4.0=93, 1.8/2571=40...(25) HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=93, 1.8/2571=40...(25) HB2 ARG 135 - HD2 ARG 84 far 0 100 0 - 5.8-10.9 HB2 ARG 135 - HD3 ARG 84 far 0 100 0 - 6.7-10.3 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.8-15.6 HB2 ARG 90 - HD3 ARG 84 far 0 98 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2573 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 poor 15 73 20 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 4 73 5 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2574 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 poor 15 73 20 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 4 73 5 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2575 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 * HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2576 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD3 ARG 84 - HD2 ARG 84 Peak 2577 from cnoeabs.peaks (7.27, 3.20, 43.15 ppm; 4.09 A): 4 out of 8 assignments used, quality = 1.00: HE ARG 84 + 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 OK 41 100 50 81 4.0-6.4 3.6/2579=26, 4.7/2571=22...(11) H ASN 85 + HD3 ARG 84 OK 33 100 40 82 4.2-6.4 3.6/2579=27, 4.7/2571=22...(11) HD21 ASN 85 - HD2 ARG 84 far 0 78 0 - 5.6-9.5 HD21 ASN 85 - HD3 ARG 84 far 0 78 0 - 5.7-9.7 QE PHE 87 - HD2 ARG 84 far 0 100 0 - 5.7-10.8 QE PHE 87 - HD3 ARG 84 far 0 100 0 - 6.2-11.6 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 3.0-5.6 7092/4.0=76, 7091/4.0=75...(20) * H ARG 84 + HD3 ARG 84 OK 95 100 95 100 3.8-5.8 7092/4.0=76, 7091/4.0=75...(20) Violated in 0 structures by 0.00 A. Peak 2579 from cnoeabs.peaks (4.25, 3.20, 43.15 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.0-5.4 5.0=75, 11859/2.9=55...(31) HA ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.1-5.4 5.0=75, 11859/2.9=55...(31) HA PHE 87 - HD3 ARG 84 far 0 89 0 - 6.3-11.0 HA PHE 87 - HD2 ARG 84 far 0 89 0 - 6.7-11.5 Violated in 0 structures by 0.00 A. Peak 2580 from cnoeabs.peaks (1.81, 3.20, 43.15 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-4.0 4.0=95, 1.8/2572=40...(25) HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.3-4.2 4.0=95, 1.8/2572=40...(25) HB3 ARG 135 - HD2 ARG 84 far 0 98 0 - 5.0-10.3 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 6.6-10.1 HB2 LYS 86 - HD2 ARG 84 far 0 93 0 - 7.9-10.6 HB2 LYS 86 - HD3 ARG 84 far 0 93 0 - 8.0-10.9 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 + HD2 ARG 84 OK 100 100 100 100 2.0-4.0 4.0=93, 1.8/2571=40...(25) * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=93, 1.8/2571=40...(25) HB2 ARG 135 - HD2 ARG 84 far 0 100 0 - 5.8-10.9 HB2 ARG 135 - HD3 ARG 84 far 0 100 0 - 6.7-10.3 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.8-15.6 HB2 ARG 90 - HD3 ARG 84 far 0 98 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2582 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 poor 15 73 20 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 4 73 5 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 * HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 poor 15 73 20 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 4 73 5 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD2 ARG 84 - HD3 ARG 84 Peak 2585 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2586 from cnoeabs.peaks (7.27, 3.20, 43.15 ppm; 4.09 A): 4 out of 8 assignments used, quality = 1.00: HE ARG 84 + 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 OK 41 100 50 81 4.0-6.4 3.6/2579=26, 4.7/2571=22...(11) * H ASN 85 + HD3 ARG 84 OK 33 100 40 82 4.2-6.4 3.6/2579=27, 4.7/2571=22...(11) HD21 ASN 85 - HD2 ARG 84 far 0 78 0 - 5.6-9.5 HD21 ASN 85 - HD3 ARG 84 far 0 78 0 - 5.7-9.7 QE PHE 87 - HD2 ARG 84 far 0 100 0 - 5.7-10.8 QE PHE 87 - HD3 ARG 84 far 0 100 0 - 6.2-11.6 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 1 assignment used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.66, 4.81, 54.84 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * QB ALA 88 + HA ASN 85 OK 100 100 100 100 2.4-3.5 2750=100, 7185/7174=100...(15) HG2 ARG 84 + HA ASN 85 OK 73 73 100 100 4.1-6.5 3.0/11320=76, ~2541=33...(23) HG3 ARG 84 + HA ASN 85 OK 73 73 100 99 3.1-6.6 3.0/11320=76, ~2541=33...(20) HD3 LYS 86 - HA ASN 85 far 0 100 0 - 7.7-9.0 HD2 LYS 86 - HA ASN 85 far 0 100 0 - 7.7-8.8 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 2.2-3.6 3.6=100 HD21 ASN 85 + HB2 ASN 85 OK 78 78 100 100 2.2-3.8 3.5=100 HE ARG 84 - HB2 ASN 85 poor 7 90 25 32 4.6-10.2 3.6/9788=18, 3.6/9788=11...(4) QE PHE 87 - HB2 ASN 85 far 0 100 0 - 8.7-10.7 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 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2600 from cnoeabs.peaks (7.25, 2.69, 37.63 ppm; 5.11 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.2-3.8 3.5=100 H ASN 85 + HB2 ASN 85 OK 78 78 100 100 2.2-3.6 3.6=100 HE ARG 84 - HB2 ASN 85 far 15 99 15 - 4.6-10.2 QE PHE 87 - HB2 ASN 85 far 0 73 0 - 8.7-10.7 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 2.1-3.8 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 2.4-3.6 3.6=100 HD21 ASN 85 + HB3 ASN 85 OK 78 78 100 100 2.2-3.9 3.5=100 HE ARG 84 - HB3 ASN 85 poor 9 90 25 39 5.1-9.8 3.6/11278=22...(4) QE PHE 87 - HB3 ASN 85 far 0 100 0 - 8.7-10.6 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 2.4-3.0 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 2.2-3.9 3.5=100 H ASN 85 + HB3 ASN 85 OK 78 78 100 100 2.4-3.6 3.6=100 HE ARG 84 - HB3 ASN 85 far 10 99 10 - 5.1-9.8 QE PHE 87 - HB3 ASN 85 far 0 73 0 - 8.7-10.6 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 2.2-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (8.34, 2.82, 37.63 ppm; 5.99 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HB3 ASN 85 OK 100 100 100 100 2.7-3.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 2610 from cnoeabs.peaks (8.34, 3.89, 60.84 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA LYS 86 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2611 from cnoeabs.peaks (3.89, 3.89, 60.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (1.79, 3.89, 60.84 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.5-2.8 3.0=100 HB2 ARG 84 - HA LYS 86 far 0 93 0 - 7.4-8.5 HB3 ARG 135 - HA LYS 86 far 0 76 0 - 8.7-10.8 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 2.9-3.0 3.0=100 HB3 ARG 90 - HA LYS 86 far 15 100 15 - 5.0-7.1 HB3 PRO 81 - HA LYS 86 far 0 97 0 - 8.7-10.0 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 2 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.1-2.4 3.7=100 QB ALA 92 - HA LYS 86 far 0 98 0 - 7.4-8.1 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 2.9-3.2 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 5 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 5.5=100 HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 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 - 7.0-9.2 HG3 ARG 84 - HA LYS 86 far 0 78 0 - 7.3-9.7 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 5 assignments used, quality = 1.00: HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 5.5=100 * HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 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 - 7.0-9.2 HG3 ARG 84 - HA LYS 86 far 0 78 0 - 7.3-9.7 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 96 98 100 97 6.0-6.5 7223/7205=73...(7) H VAL 133 - HA LYS 86 far 0 60 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 2621 from cnoeabs.peaks (8.69, 3.89, 60.84 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + HA LYS 86 OK 100 100 100 100 3.3-3.6 7190=100, 9869/9727=68...(17) 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 2.1-3.2 2765=100, 2.7/11327=83...(16) HB3 PHE 89 + HA LYS 86 OK 85 85 100 100 2.2-3.4 1.8/2765=95...(13) HB3 CYS 73 - HA LYS 86 far 0 99 0 - 7.3-10.2 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 2.2-3.4 1.8/2765=95, 2774=86...(13) HB2 PHE 89 + HA LYS 86 OK 85 85 100 100 2.1-3.2 2.7/11327=83...(16) HB3 CYS 73 - HA LYS 86 far 0 96 0 - 7.3-10.2 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 2 assignments used, quality = 1.00: * HA THR 83 + HB2 LYS 86 OK 100 100 100 100 2.2-4.5 2511=100, 2636/1.8=99...(18) HA VAL 133 - HB2 LYS 86 far 0 81 0 - 7.5-9.9 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 18 assignments used, quality = 1.00: * H LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.1-3.6 4.0=100 H LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.5-4.0 3.9=100 H LYS 24 + HB3 LYS 24 OK 30 30 100 100 2.1-3.7 4.1=96, 3.0/482=63...(20) H ALA 28 - HB3 LYS 31 far 6 60 10 - 4.4-9.4 H LYS 26 - HB3 LYS 24 far 3 28 10 - 2.9-7.3 H GLY 17 - HB3 LYS 19 far 2 50 5 - 4.7-9.0 H LYS 24 - HB3 LYS 31 far 2 34 5 - 4.9-18.1 H LYS 24 - HB3 LYS 19 far 0 34 0 - 5.9-11.7 H LYS 26 - HB3 LYS 31 far 0 32 0 - 6.5-13.6 H ALA 28 - HB3 LYS 19 far 0 60 0 - 6.6-16.3 H ALA 28 - HB3 LYS 24 far 0 54 0 - 7.5-13.7 H LYS 19 - HB3 LYS 31 far 0 64 0 - 7.6-19.8 H GLY 17 - HB3 LYS 31 far 0 49 0 - 8.1-21.9 H LYS 19 - HB3 LYS 24 far 0 58 0 - 8.1-15.8 H LYS 26 - HB3 LYS 19 far 0 32 0 - 8.6-16.8 H GLY 14 - HB3 LYS 19 far 0 39 0 - 8.7-17.2 H TYR 72 - HB3 LYS 19 far 0 53 0 - 9.5-27.9 H TYR 72 - HB3 LYS 24 far 0 47 0 - 9.7-31.9 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 9 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.8 3.0=100 HA3 GLY 75 - HB3 LYS 19 far 3 56 5 - 4.2-27.6 HB3 SER 60 - HB3 LYS 24 far 0 43 0 - 5.5-41.8 HB2 SER 33 - HB3 LYS 19 far 0 43 0 - 6.4-21.1 HB2 SER 33 - HB3 LYS 31 far 0 43 0 - 6.5-9.3 HB2 SER 60 - HB3 LYS 24 far 0 43 0 - 6.8-41.3 HB2 SER 94 - HB2 LYS 86 far 0 92 0 - 9.8-13.1 HA3 GLY 75 - HB2 LYS 86 far 0 90 0 - 9.8-12.3 HB2 SER 33 - HB3 LYS 24 far 0 38 0 - 10.0-24.9 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 11 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 27 - HB3 LYS 31 far 3 63 5 - 3.4-10.9 HB2 GLU 30 - HB3 LYS 31 far 0 68 0 - 4.1-5.9 HB3 ARG 90 - HB2 LYS 86 far 0 100 0 - 4.7-8.8 HB2 GLU 30 - HB3 LYS 19 far 0 69 0 - 4.7-17.9 HB2 GLN 27 - HB3 LYS 19 far 0 64 0 - 5.4-17.8 HB2 PRO 58 - HB3 LYS 24 far 0 60 0 - 6.0-43.9 HB2 GLU 30 - HB3 LYS 24 far 0 61 0 - 7.1-18.4 HB2 GLN 27 - HB3 LYS 24 far 0 57 0 - 7.4-12.9 HB ILE 37 - HB3 LYS 19 far 0 60 0 - 7.7-26.9 HB3 PRO 81 - HB2 LYS 86 far 0 97 0 - 7.9-10.9 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 22 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 48 48 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 45 45 100 100 2.2-2.5 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 36 36 100 100 2.2-2.8 2.9=100 QB ALA 34 - HB3 LYS 19 far 3 68 5 - 2.0-20.6 QB ALA 16 - HB3 LYS 31 far 3 56 5 - 3.9-19.7 HG2 LYS 26 - HB3 LYS 24 far 3 55 5 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 53 0 - 5.0-7.3 QB ALA 16 - HB3 LYS 19 far 0 56 0 - 5.0-9.7 HG2 LYS 26 - HB3 LYS 31 far 0 61 0 - 5.2-13.4 HG13 ILE 32 - HB3 LYS 19 far 0 53 0 - 5.4-19.7 HG2 LYS 31 - HB3 LYS 19 far 0 48 0 - 5.8-17.9 HG3 LYS 24 - HB3 LYS 31 far 0 41 0 - 6.4-20.1 HG3 LYS 24 - HB3 LYS 19 far 0 41 0 - 6.7-14.1 HG2 LYS 31 - HB3 LYS 24 far 0 43 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 39 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 61 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 61 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 44 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 47 0 - 8.3-19.3 QB ALA 34 - HB3 LYS 31 far 0 68 0 - 8.8-11.6 QB ALA 92 - HB2 LYS 86 far 0 98 0 - 8.9-9.9 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 6 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 30 30 100 100 2.2-2.8 2.9=100 HG3 LYS 24 - HB3 LYS 31 far 0 34 0 - 6.4-20.1 HG3 LYS 24 - HB3 LYS 19 far 0 34 0 - 6.7-14.1 HG3 LYS 36 - HB3 LYS 31 far 0 65 0 - 8.7-13.8 QB ALA 52 - HB3 LYS 24 far 0 60 0 - 9.5-35.1 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 32 assignments used, quality = 1.00: HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 * HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.1-3.8 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.9-3.9 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 2.3-4.2 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 6 61 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 6 61 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 19 far 3 69 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 3 68 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 3 68 5 - 3.8-14.8 HD2 LYS 19 - HB3 LYS 31 far 0 63 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 68 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 78 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 63 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 100 0 - 6.4-7.0 HD2 LYS 24 - HB3 LYS 31 far 0 68 0 - 6.8-20.9 HD2 LYS 26 - HB3 LYS 19 far 0 69 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 69 0 - 7.1-19.3 HG3 ARG 84 - HB2 LYS 86 far 0 78 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 61 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 61 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 68 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 8.1-15.6 HD3 LYS 24 - HB3 LYS 19 far 0 69 0 - 8.3-15.2 HD2 LYS 36 - HB3 LYS 19 far 0 63 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 63 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 62 0 - 8.7-12.8 HD2 LYS 19 - HB3 LYS 24 far 0 57 0 - 8.8-17.3 HD3 LYS 19 - HB3 LYS 24 far 0 57 0 - 9.5-17.0 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 32 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.1-3.8 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.9-3.9 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 2.3-4.2 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 6 61 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 6 61 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 19 far 3 69 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 3 68 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 3 68 5 - 3.8-14.8 HD2 LYS 19 - HB3 LYS 31 far 0 63 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 68 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 78 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 63 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 100 0 - 6.4-7.0 HD2 LYS 24 - HB3 LYS 31 far 0 68 0 - 6.8-20.9 HD2 LYS 26 - HB3 LYS 19 far 0 69 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 69 0 - 7.1-19.3 HG3 ARG 84 - HB2 LYS 86 far 0 78 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 61 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 61 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 68 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 8.1-15.6 HD3 LYS 24 - HB3 LYS 19 far 0 69 0 - 8.3-15.2 HD2 LYS 36 - HB3 LYS 19 far 0 63 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 63 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 62 0 - 8.7-12.8 HD2 LYS 19 - HB3 LYS 24 far 0 57 0 - 8.8-17.3 HD3 LYS 19 - HB3 LYS 24 far 0 57 0 - 9.5-17.0 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 28 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-4.5 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 69 69 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.4-4.7 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 67 67 100 100 2.4-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 65 65 100 100 2.2-5.5 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.6-5.3 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.0-5.4 5.1=100 HE2 LYS 26 - HB3 LYS 24 poor 15 58 25 - 2.3-11.2 HE3 LYS 31 - HB3 LYS 19 poor 13 65 20 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 10 67 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 24 far 9 58 15 - 2.2-9.7 HE3 LYS 24 - HB3 LYS 19 far 7 68 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 7 68 10 - 6.3-15.6 HE3 LYS 26 - HB3 LYS 31 far 6 65 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 6 65 10 - 6.0-15.4 HE2 LYS 19 - HB3 LYS 31 far 3 68 5 - 5.4-20.0 HE3 LYS 24 - HB3 LYS 31 far 3 68 5 - 7.5-21.6 HE3 LYS 19 - HB3 LYS 31 far 3 67 5 - 4.4-20.0 HE2 LYS 26 - HB3 LYS 19 far 3 65 5 - 6.7-19.5 HE2 LYS 19 - HB3 LYS 24 far 3 61 5 - 7.3-17.6 HE2 LYS 31 - HB3 LYS 24 far 3 60 5 - 5.0-21.5 HE3 LYS 31 - HB3 LYS 24 far 3 58 5 - 5.6-21.1 HE2 LYS 24 - HB3 LYS 31 far 0 67 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 65 0 - 8.5-17.9 HE3 LYS 19 - HB3 LYS 24 far 0 60 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 68 0 - 9.1-14.5 HD2 ARG 135 - HB2 LYS 86 far 0 81 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 19 far 0 68 0 - 9.6-24.7 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 2.7-3.7 4.6=100 H THR 25 + HB3 LYS 24 OK 54 54 100 100 2.4-3.4 4.7=100 H ILE 32 + HB3 LYS 31 OK 43 43 100 100 4.2-4.6 4.6=100 H THR 25 - HB3 LYS 31 far 0 60 0 - 6.3-15.7 H GLU 91 - HB2 LYS 86 far 0 98 0 - 6.6-8.4 H THR 25 - HB3 LYS 19 far 0 60 0 - 6.7-14.3 H ALA 15 - HB3 LYS 19 far 0 39 0 - 6.8-14.2 H ILE 32 - HB3 LYS 19 far 0 43 0 - 7.2-18.7 H ASP 71 - HB3 LYS 24 far 0 43 0 - 8.2-33.5 H ILE 32 - HB3 LYS 24 far 0 38 0 - 8.7-20.6 H VAL 133 - HB2 LYS 86 far 0 60 0 - 9.2-10.9 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 2.0-3.6 2624/1.8=87, 2512=85...(17) HB2 SER 99 - HB3 LYS 95 far 5 36 15 - 5.3-8.2 HA VAL 133 - HB3 PRO 81 far 3 65 5 - 5.5-10.6 HB2 SER 99 - HB2 LYS 95 far 0 29 0 - 6.4-9.4 HA THR 83 - HB3 PRO 81 far 0 88 0 - 7.0-7.8 HA GLU 97 - HB2 LYS 95 far 0 27 0 - 7.4-7.9 HA GLU 97 - HB3 LYS 95 far 0 33 0 - 7.5-8.1 HA VAL 133 - HB3 LYS 86 far 0 81 0 - 8.3-9.8 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 2 assignments used, quality = 1.00: * H LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.1-3.1 4.0=100 H LYS 86 - HB3 PRO 81 far 0 88 0 - 7.4-8.4 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 2.9-3.0 3.0=100 HB2 SER 94 - HB2 LYS 95 far 1 28 5 - 5.6-7.0 HB2 SER 94 - HB3 LYS 95 far 0 34 0 - 7.0-7.4 HA LYS 86 - HB3 PRO 81 far 0 88 0 - 8.7-10.0 HA LEU 70 - HB2 LYS 95 far 0 33 0 - 9.2-10.6 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 13 assignments used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 98 - HB3 LYS 95 far 0 38 0 - 4.8-6.2 HB3 LEU 98 - HB2 LYS 95 far 0 31 0 - 5.6-7.2 HB3 ARG 135 - HB3 PRO 81 far 0 60 0 - 6.0-11.4 HB2 ARG 84 - HB3 LYS 86 far 0 93 0 - 6.4-7.3 HB3 LEU 122 - HB3 LYS 95 far 0 42 0 - 6.6-10.0 HB3 LEU 122 - HB2 LYS 95 far 0 34 0 - 7.6-10.8 HB2 ARG 84 - HB3 PRO 81 far 0 77 0 - 7.9-10.2 HB2 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.9-10.9 HB2 LEU 100 - HB3 LYS 95 far 0 22 0 - 8.0-11.1 HG LEU 100 - HB3 LYS 95 far 0 31 0 - 8.3-11.2 HG LEU 100 - HB2 LYS 95 far 0 26 0 - 8.9-11.5 HB3 ARG 135 - HB3 LYS 86 far 0 76 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (1.95, 1.95, 32.72 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 82 82 - 100 HB3 LYS 95 + HB3 LYS 95 OK 34 34 - 100 HB2 LYS 95 + HB2 LYS 95 OK 26 26 - 100 Peak 2641 from cnoeabs.peaks (1.42, 1.95, 32.72 ppm; 4.49 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 QB ALA 92 + HB3 LYS 95 OK 37 39 95 100 4.9-5.6 9948/1.8=91, 9948=43...(23) QB ALA 92 + HB2 LYS 95 OK 32 32 100 100 3.9-4.4 9948=96, 9950/5.3=36...(26) HG LEU 96 - HB2 LYS 95 far 0 21 0 - 5.7-6.8 HG LEU 96 - HB3 LYS 95 far 0 26 0 - 6.4-7.2 HG2 LYS 86 - HB3 PRO 81 far 0 88 0 - 8.1-9.2 QB ALA 92 - HB3 LYS 86 far 0 98 0 - 9.4-10.1 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 2.2-2.9 3.0=100 HG3 LYS 86 - HB3 PRO 81 far 0 88 0 - 6.8-10.8 Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 4.56 A): 6 out of 22 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HD3 LYS 95 + HB3 LYS 95 OK 42 42 100 100 3.1-4.1 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 41 41 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 34 34 100 100 2.2-3.9 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 33 33 100 100 2.1-3.6 3.7=100 HB2 LEU 98 - HB3 LYS 95 poor 12 40 30 - 4.2-7.2 HB2 LEU 98 - HB2 LYS 95 poor 7 33 20 - 5.1-7.8 QB ALA 88 - HB3 LYS 86 far 0 100 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.2-8.3 HG2 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 69 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.9-8.4 HD2 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 34 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 62 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 41 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 74 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 88 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 39 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 31 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 4.56 A): 6 out of 22 assignments used, quality = 1.00: HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 * HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HD3 LYS 95 + HB3 LYS 95 OK 42 42 100 100 3.1-4.1 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 41 41 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 34 34 100 100 2.2-3.9 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 33 33 100 100 2.1-3.6 3.7=100 HB2 LEU 98 - HB3 LYS 95 poor 12 40 30 - 4.2-7.2 HB2 LEU 98 - HB2 LYS 95 poor 7 33 20 - 5.1-7.8 QB ALA 88 - HB3 LYS 86 far 0 100 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.2-8.3 HG2 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 69 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.9-8.4 HD2 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 34 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 62 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 41 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 74 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 88 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 39 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 31 0 - 9.9-13.5 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 1.9-4.4 4.9=100 HE2 LYS 86 - HB3 PRO 81 far 4 88 5 - 7.0-12.0 HB3 HIS 5 - HB3 LYS 95 far 2 41 5 - 6.2-68.3 HB3 HIS 5 - HB2 LYS 95 far 2 34 5 - 7.5-68.5 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 8 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.9-3.6 4.9=100 HE2 LYS 39 - HB3 PRO 81 far 7 49 15 - 6.0-13.9 HB3 ASN 121 - HB3 LYS 95 far 5 34 15 - 6.0-8.7 HE3 LYS 86 - HB3 PRO 81 far 4 88 5 - 6.3-11.7 HD2 ARG 135 - HB3 PRO 81 far 3 65 5 - 6.2-14.5 HB3 ASN 121 - HB2 LYS 95 far 0 28 0 - 7.6-10.2 HD2 ARG 135 - HB3 LYS 86 far 0 81 0 - 8.8-13.1 HG CYS 73 - HB2 LYS 95 far 0 21 0 - 9.8-11.7 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 8 assignments used, quality = 1.00: * H PHE 87 + HB3 LYS 86 OK 100 100 100 100 2.4-2.9 7157=100, 7156/1.8=92...(24) H GLU 91 - HB2 LYS 95 far 0 32 0 - 6.5-8.4 H GLU 91 - HB3 LYS 86 far 0 98 0 - 7.0-8.1 H ASN 121 - HB3 LYS 95 far 0 41 0 - 8.2-10.1 H VAL 133 - HB3 PRO 81 far 0 47 0 - 8.2-13.3 H GLU 91 - HB3 LYS 95 far 0 39 0 - 8.3-9.7 H ASN 121 - HB2 LYS 95 far 0 33 0 - 9.2-11.3 H VAL 133 - HB3 LYS 86 far 0 60 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (8.34, 1.42, 25.00 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HG2 LYS 86 OK 100 100 100 100 3.3-4.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 2649 from cnoeabs.peaks (3.89, 1.42, 25.00 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.1-2.4 3.7=100 HA3 GLY 75 - HG2 LYS 86 far 0 90 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (1.79, 1.42, 25.00 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 ARG 84 - HG2 LYS 86 far 0 93 0 - 8.3-9.6 HB3 ARG 135 - HG2 LYS 86 far 0 76 0 - 9.7-12.3 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 2.8-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 86 far 0 100 0 - 6.4-8.1 HB3 PRO 81 - HG2 LYS 86 far 0 97 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (1.42, 1.42, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2653 from cnoeabs.peaks (1.47, 1.42, 25.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (1.66, 1.42, 25.00 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 100 0 - 7.0-7.5 HG2 ARG 84 - HG2 LYS 86 far 0 78 0 - 8.3-10.3 HG3 ARG 84 - HG2 LYS 86 far 0 78 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (1.66, 1.42, 25.00 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 100 0 - 7.0-7.5 HG2 ARG 84 - HG2 LYS 86 far 0 78 0 - 8.3-10.3 HG3 ARG 84 - HG2 LYS 86 far 0 78 0 - 8.6-10.8 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 2.4-3.6 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 2 assignments used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.1 3.7=100 HD2 ARG 135 - HG2 LYS 86 far 0 81 0 - 9.2-13.6 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 3 assignments used, quality = 1.00: * H PHE 87 + HG2 LYS 86 OK 100 100 100 100 4.7-5.1 7158=100, 7157/3.0=99...(22) H GLU 91 - HG2 LYS 86 far 0 98 0 - 7.7-8.2 H VAL 133 - HG2 LYS 86 far 0 60 0 - 8.3-9.9 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 4 assignments used, quality = 1.00: * H LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-4.6 4.5=100 H TYR 72 - HG3 LYS 36 far 0 77 0 - 7.0-11.4 H LYS 26 - HG3 LYS 36 far 0 49 0 - 8.2-20.1 H GLU 44 - HG3 LYS 36 far 0 92 0 - 8.3-12.2 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 5 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.9-3.2 3.7=100 HB2 SER 33 - HG3 LYS 36 poor 19 64 30 - 4.3-7.5 HA ALA 41 - HG3 LYS 36 poor 12 69 30 58 4.7-8.8 2.1/11286=33, ~10856=18...(6) HA3 GLY 75 - HG3 LYS 86 far 0 90 0 - 8.5-11.6 HA3 GLY 75 - HG3 LYS 36 far 0 81 0 - 9.1-13.5 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 2.2-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 69 69 100 100 2.6-2.8 3.0=100 HB ILE 32 - HG3 LYS 36 far 0 67 0 - 5.4-9.2 HB2 ARG 84 - HG3 LYS 86 far 0 93 0 - 7.0-9.5 HB3 LYS 31 - HG3 LYS 36 far 0 79 0 - 8.7-13.8 HB3 ARG 135 - HG3 LYS 86 far 0 76 0 - 9.0-13.1 HB3 LYS 26 - HG3 LYS 36 far 0 64 0 - 9.1-20.8 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 2.2-2.9 3.0=100 HB ILE 37 - HG3 LYS 36 far 4 86 5 - 4.5-7.7 HB3 ARG 90 - HG3 LYS 86 far 0 100 0 - 6.3-9.4 HB3 PRO 81 - HG3 LYS 86 far 0 97 0 - 6.8-10.8 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 6 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 36 far 0 77 0 - 5.6-11.3 QB ALA 34 - HG3 LYS 36 far 0 94 0 - 5.8-7.8 HG2 LYS 31 - HG3 LYS 36 far 0 71 0 - 6.6-14.6 HG2 LYS 26 - HG3 LYS 36 far 0 87 0 - 7.2-21.6 QB ALA 92 - HG3 LYS 86 far 0 98 0 - 9.3-10.6 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 11 assignments used, quality = 1.00: HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 * HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.3-2.9 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 0 94 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 94 0 - 6.6-22.6 HD2 LYS 31 - HG3 LYS 36 far 0 94 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 100 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 94 0 - 7.2-14.6 HG2 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.3-10.0 HG3 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.3-10.1 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 11 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.3-2.9 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 0 94 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 94 0 - 6.6-22.6 HD2 LYS 31 - HG3 LYS 36 far 0 94 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 100 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 94 0 - 7.2-14.6 HG2 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.3-10.0 HG3 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (3.07, 1.47, 25.00 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 3.7-4.0 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 3.5-3.8 3.7=100 HE3 LYS 36 + HG3 LYS 36 OK 94 94 100 100 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 94 94 100 100 2.5-3.9 4.0=100 HE3 LYS 26 - HG3 LYS 36 far 0 91 0 - 5.6-23.2 HE2 LYS 26 - HG3 LYS 36 far 0 91 0 - 6.2-22.9 HB2 CYS 45 - HG3 LYS 36 far 0 79 0 - 7.0-11.9 HE3 LYS 31 - HG3 LYS 36 far 0 91 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 93 0 - 7.2-12.8 HD2 ARG 135 - HG3 LYS 86 far 0 81 0 - 8.6-14.3 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 4.1-4.9 7157/3.0=99, 7156/3.0=99...(21) H ILE 32 - HG3 LYS 36 far 6 64 10 - 6.8-10.4 H GLU 91 - HG3 LYS 86 far 5 98 5 - 7.0-9.1 H VAL 133 - HG3 LYS 86 far 0 60 0 - 8.5-11.1 H ASP 71 - HG3 LYS 36 far 0 71 0 - 9.0-13.1 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 3 assignments used, quality = 1.00: H LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.2-5.8 5.6=100 * H LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.2-5.6 5.6=100 H GLU 44 - HD2 LYS 39 poor 8 58 55 26 6.2-9.0 6518/6454=18, 3.9/1203=7 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (3.89, 1.66, 29.87 ppm; 6.40 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=100 HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=100 HA ALA 41 - HD2 LYS 39 far 0 40 0 - 7.4-9.9 HA3 GLY 75 - HD2 LYS 86 far 0 90 0 - 8.7-11.5 HA3 GLY 75 - HD3 LYS 86 far 0 90 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2672 from cnoeabs.peaks (1.79, 1.66, 29.87 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 * HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 93 0 - 8.1-10.8 HB3 ARG 135 - HD2 LYS 39 far 0 39 0 - 8.6-13.3 HB2 ARG 84 - HD2 LYS 86 far 0 93 0 - 8.6-11.0 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 + HD2 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HB3 PRO 81 - HD2 LYS 39 far 0 56 0 - 6.8-13.6 HB3 PRO 81 - HD2 LYS 86 far 0 97 0 - 7.2-10.4 HB3 ARG 90 - HD3 LYS 86 far 0 100 0 - 7.5-9.6 HB3 ARG 90 - HD2 LYS 86 far 0 100 0 - 7.8-9.7 HB3 PRO 81 - HD3 LYS 86 far 0 97 0 - 7.8-10.4 HB ILE 37 - HD2 LYS 39 far 0 53 0 - 9.7-11.8 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 4 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 9.3-15.6 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2675 from cnoeabs.peaks (1.47, 1.66, 29.87 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 * HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HG LEU 42 - HD2 LYS 39 far 0 54 0 - 7.5-10.0 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 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-3.0 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 4 assignments used, quality = 1.00: HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD2 LYS 39 far 0 42 0 - 9.3-12.9 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 3 assignments used, quality = 1.00: * H LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.2-5.8 5.6=100 H LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.2-5.6 5.6=100 H GLU 44 - HD2 LYS 39 poor 8 58 55 26 6.2-9.0 6518/6454=18, 3.9/1203=7 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (3.89, 1.66, 29.87 ppm; 6.40 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=100 * HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=100 HA ALA 41 - HD2 LYS 39 far 0 40 0 - 7.4-9.9 HA3 GLY 75 - HD2 LYS 86 far 0 90 0 - 8.7-11.5 HA3 GLY 75 - HD3 LYS 86 far 0 90 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (1.79, 1.66, 29.87 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 93 0 - 8.1-10.8 HB3 ARG 135 - HD2 LYS 39 far 0 39 0 - 8.6-13.3 HB2 ARG 84 - HD2 LYS 86 far 0 93 0 - 8.6-11.0 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 + HD2 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 * HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HB3 PRO 81 - HD2 LYS 39 far 0 56 0 - 6.8-13.6 HB3 PRO 81 - HD2 LYS 86 far 0 97 0 - 7.2-10.4 HB3 ARG 90 - HD3 LYS 86 far 0 100 0 - 7.5-9.6 HB3 ARG 90 - HD2 LYS 86 far 0 100 0 - 7.8-9.7 HB3 PRO 81 - HD3 LYS 86 far 0 97 0 - 7.8-10.4 HB ILE 37 - HD2 LYS 39 far 0 53 0 - 9.7-11.8 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 4 assignments used, quality = 1.00: HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 9.3-15.6 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2686 from cnoeabs.peaks (1.47, 1.66, 29.87 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HG LEU 42 - HD2 LYS 39 far 0 54 0 - 7.5-10.0 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 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-3.0 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 4 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD2 LYS 39 far 0 42 0 - 9.3-12.9 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 2 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.5-4.7 6.0=100 HA3 GLY 75 - HE2 LYS 86 far 9 90 10 - 7.2-11.4 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 3 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.3-3.5 1.8/2695=84, 4.9=71...(20) HB2 ARG 84 - HE2 LYS 86 far 0 93 0 - 6.5-11.0 HB3 ARG 135 - HE2 LYS 86 far 0 76 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 2695 from cnoeabs.peaks (1.95, 3.07, 41.80 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.9-4.4 2706/1.8=97, 1.8/2694=87...(20) HB3 ARG 90 - HE2 LYS 86 far 0 100 0 - 5.9-9.9 HB3 PRO 81 - HE2 LYS 86 far 0 97 0 - 7.0-12.0 Violated in 1 structures by 0.00 A. Peak 2696 from cnoeabs.peaks (1.42, 3.07, 41.80 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.4-3.6 3.7=100 QB ALA 34 - HE2 LYS 86 far 0 100 0 - 8.8-16.5 QB ALA 16 - HE2 LYS 86 far 0 90 0 - 9.5-37.6 QB ALA 92 - HE2 LYS 86 far 0 98 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (1.47, 3.07, 41.80 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.7-4.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 2698 from cnoeabs.peaks (1.66, 3.07, 41.80 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 78 0 - 6.8-12.4 HG3 ARG 84 - HE2 LYS 86 far 0 78 0 - 6.8-12.7 QB ALA 88 - HE2 LYS 86 far 0 100 0 - 7.0-9.2 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 5 assignments used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 78 0 - 6.8-12.4 HG3 ARG 84 - HE2 LYS 86 far 0 78 0 - 6.8-12.7 QB ALA 88 - HE2 LYS 86 far 0 100 0 - 7.0-9.2 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 3 assignments used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG CYS 73 - HE2 LYS 86 far 0 76 0 - 9.8-14.2 HE2 LYS 19 - HE2 LYS 86 far 0 100 0 - 9.9-40.1 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 48 assignments used, quality = 1.00: * H LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.4-5.2 2.9/2704=83...(17) H LYS 19 + HE2 LYS 19 OK 93 98 95 100 2.9-6.8 6149/5.1=58, 6151/3.8=50...(49) H LYS 19 + HE3 LYS 19 OK 86 96 90 100 1.9-5.8 6149/5.1=58, 6151/3.8=50...(50) H LYS 24 + HE2 LYS 24 OK 52 58 90 98 2.6-6.8 6222/4.0=34, 6223/4.0=32...(19) H LYS 26 + HE3 LYS 26 OK 50 51 100 99 1.9-5.1 3.6/9587=44, 6253/3.6=32...(51) H LYS 26 + HE2 LYS 26 OK 50 51 100 99 2.2-5.1 6253/3.6=32, 6252/3.6=32...(51) H LYS 24 + HE3 LYS 24 OK 47 60 80 98 2.4-6.7 6222/4.0=34, 6223/4.0=32...(19) H ALA 28 - HE2 LYS 31 far 14 92 15 - 3.8-12.4 H LYS 24 - HE2 LYS 26 far 5 53 10 - 2.5-12.1 H ALA 28 - HE2 LYS 19 far 5 94 5 - 5.2-19.4 H ALA 28 - HE3 LYS 31 far 4 87 5 - 4.9-12.4 H TYR 72 - HE2 LYS 36 far 4 86 5 - 5.4-9.6 H GLY 14 - HE2 LYS 19 far 3 68 5 - 4.7-14.3 H LYS 24 - HE2 LYS 31 far 3 57 5 - 4.0-19.4 H LYS 26 - HE3 LYS 24 far 3 57 5 - 4.3-10.9 H LYS 24 - HE3 LYS 26 far 3 53 5 - 2.3-10.6 H LYS 24 - HE3 LYS 31 far 3 53 5 - 5.1-20.3 H GLY 17 - HE3 LYS 19 lone 2 80 40 8 4.4-10.0 270/3.8=4, 303/2.9=1, 303/2.9=1 H GLY 17 - HE2 LYS 19 lone 2 83 25 8 4.2-10.4 270/3.8=4, 303/2.9=1, 303/2.9=1 H LYS 19 - HE2 LYS 24 far 0 97 0 - 5.7-16.1 H ALA 28 - HE3 LYS 19 far 0 92 0 - 5.8-19.6 H ALA 28 - HE3 LYS 26 far 0 87 0 - 5.8-10.2 H ALA 28 - HE2 LYS 26 far 0 87 0 - 5.9-10.8 H LYS 26 - HE2 LYS 24 far 0 56 0 - 6.1-11.2 H LYS 26 - HE2 LYS 31 far 0 55 0 - 6.2-16.4 H GLY 14 - HE3 LYS 19 far 0 65 0 - 6.3-14.6 H LYS 19 - HE3 LYS 31 far 0 92 0 - 6.5-23.3 H LYS 26 - HE3 LYS 31 far 0 51 0 - 6.7-15.4 H TYR 72 - HE2 LYS 19 far 0 87 0 - 6.8-29.0 H TYR 72 - HE3 LYS 19 far 0 84 0 - 6.9-29.7 H TYR 72 - HE3 LYS 36 far 0 86 0 - 7.0-10.1 H LYS 19 - HE3 LYS 24 far 0 98 0 - 7.1-16.0 H GLU 44 - HE3 LYS 36 far 0 99 0 - 7.4-13.1 H LYS 19 - HE2 LYS 31 far 0 96 0 - 7.6-22.3 H LYS 24 - HE2 LYS 19 far 0 60 0 - 7.7-14.1 H GLU 44 - HE2 LYS 36 far 0 99 0 - 8.1-12.6 H LYS 19 - HE2 LYS 26 far 0 92 0 - 8.5-21.5 H LYS 24 - HE3 LYS 19 far 0 57 0 - 8.7-14.9 H TYR 72 - HE3 LYS 26 far 0 79 0 - 8.8-29.8 H GLY 14 - HE3 LYS 31 far 0 61 0 - 9.0-28.4 H LYS 26 - HE2 LYS 19 far 0 57 0 - 9.3-19.1 H GLY 17 - HE3 LYS 31 far 0 75 0 - 9.5-25.2 H LYS 26 - HE3 LYS 36 far 0 57 0 - 9.5-21.6 H GLY 17 - HE3 LYS 24 far 0 82 0 - 9.7-19.1 H ALA 28 - HE3 LYS 24 far 0 94 0 - 9.8-15.6 H ALA 28 - HE2 LYS 24 far 0 93 0 - 9.8-16.3 H TYR 72 - HE2 LYS 26 far 0 79 0 - 9.9-30.0 H GLY 17 - HE2 LYS 31 far 0 80 0 - 9.9-23.9 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 32 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.2-4.1 6.0=100 HB2 SER 33 + HE2 LYS 36 OK 66 73 95 95 4.4-9.0 ~10783=42, ~10775=42...(9) HB2 SER 33 + HE3 LYS 36 OK 66 73 95 95 4.9-9.3 ~10783=42, ~10775=42...(9) HB2 SER 33 - HE3 LYS 26 poor 16 66 25 - 2.9-20.5 HA ALA 41 - HE2 LYS 36 poor 11 78 70 20 4.9-9.7 10866/9548=9, 2660/4.0=9 HA ALA 41 - HE3 LYS 36 lone 10 78 70 19 3.7-9.9 2660/4.0=9, 10866/9548=8 HB2 SER 33 - HE2 LYS 31 lone 5 70 65 11 4.4-10.8 10780/10825=4, 4.0/865=3 HA3 GLY 75 - HE2 LYS 19 far 5 90 5 - 2.2-30.3 HA3 GLY 75 - HE3 LYS 19 far 4 87 5 - 3.2-29.5 HB2 SER 33 - HE3 LYS 31 lone 4 66 50 12 4.3-11.1 10780/10825=6, 4.0/865=4 HB2 SER 33 - HE2 LYS 24 far 4 71 5 - 6.5-28.0 HB2 SER 33 - HE3 LYS 19 far 4 70 5 - 6.1-21.5 HA ALA 41 - HE2 LYS 26 far 4 71 5 - 7.6-30.8 HB2 SER 33 - HE2 LYS 26 lone 2 66 35 11 2.0-20.9 10780/10825=5, 4.0/865=3 HB2 SER 33 - HE2 LYS 19 far 0 73 0 - 7.7-22.7 HA3 GLY 75 - HE2 LYS 26 far 0 83 0 - 7.7-28.1 HB2 SER 33 - HE3 LYS 24 far 0 73 0 - 7.8-28.3 HA ALA 41 - HE3 LYS 26 far 0 71 0 - 7.8-31.4 HA3 GLY 75 - HE2 LYS 36 far 0 90 0 - 7.9-12.9 HA3 GLY 75 - HE3 LYS 26 far 0 83 0 - 8.0-27.1 HA3 GLY 75 - HE3 LYS 24 far 0 90 0 - 8.0-35.0 HB3 SER 60 - HE3 LYS 24 far 0 80 0 - 8.2-41.6 HA3 GLY 75 - HE3 LYS 36 far 0 90 0 - 8.3-12.7 HA3 GLY 75 - HE2 LYS 24 far 0 89 0 - 8.4-34.4 HA LEU 70 - HE2 LYS 19 far 0 99 0 - 8.4-32.7 HA3 GLY 75 - HE3 LYS 86 far 0 90 0 - 8.6-11.7 HB3 SER 60 - HE2 LYS 24 far 0 79 0 - 8.8-43.0 HB2 SER 60 - HE3 LYS 24 far 0 80 0 - 9.1-42.2 HA LEU 70 - HE3 LYS 19 far 0 98 0 - 9.1-33.4 HA LEU 70 - HE2 LYS 36 far 0 99 0 - 9.4-14.0 HB2 SER 60 - HE2 LYS 24 far 0 79 0 - 9.7-43.8 HB2 SER 94 - HE3 LYS 86 far 0 92 0 - 9.8-14.4 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 69 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-4.5 1.8/2706=99, 2694/1.8=93...(20) HB3 LYS 19 + HE2 LYS 19 OK 88 89 100 99 2.3-5.4 5.1=78, 2634/1.8=15...(53) HB3 LYS 31 + HE2 LYS 31 OK 85 86 100 99 2.4-5.3 4.8=90, 6332/7.1=25...(53) HB3 LYS 19 + HE3 LYS 19 OK 85 86 100 99 2.4-4.7 5.1=78, 3.0/11873=17...(53) HB3 LYS 24 + HE3 LYS 24 OK 84 84 100 99 2.6-5.3 5.1=78, 482/6.4=32...(27) HB3 LYS 24 + HE2 LYS 24 OK 82 83 100 99 2.0-5.4 5.1=78, 482/6.4=32...(27) HB3 LYS 31 + HE3 LYS 31 OK 81 81 100 100 2.2-5.5 4.8=90, 6332/7.1=25...(53) HB2 LYS 36 + HE3 LYS 36 OK 78 78 100 100 2.0-4.4 4.9=85, 1.8/1064=47...(60) HB2 LYS 36 + HE2 LYS 36 OK 78 78 100 100 3.2-4.6 4.9=85, 1.8/1064=37...(63) HB3 LYS 26 + HE2 LYS 26 OK 66 66 100 100 2.9-5.2 4.8=93, 6251/7.1=21...(53) HB3 LYS 26 + HE3 LYS 26 OK 66 66 100 100 3.5-5.4 4.8=93, 6251/7.1=21...(53) HB ILE 32 - HE2 LYS 31 poor 18 73 30 84 5.0-10.0 2.1/10766=19, ~10840=15...(33) HB3 ARG 23 - HE3 LYS 24 far 9 62 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 9 61 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 8 77 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 8 77 10 - 2.3-11.2 HB ILE 32 - HE2 LYS 26 far 7 68 10 - 4.9-16.7 HB ILE 32 - HE3 LYS 31 far 7 68 10 - 5.1-9.8 HB3 ARG 23 - HE3 LYS 26 far 6 56 10 - 4.7-12.6 HB3 LYS 31 - HE2 LYS 19 far 4 89 5 - 5.4-20.0 HB3 LYS 31 - HE3 LYS 19 far 4 86 5 - 4.4-20.0 HB3 LYS 24 - HE2 LYS 31 far 4 82 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 26 far 4 81 5 - 4.8-15.1 HB3 LYS 19 - HE3 LYS 31 far 4 81 5 - 4.9-20.5 HB ILE 32 - HE2 LYS 36 far 4 75 5 - 4.4-10.1 HB ILE 32 - HE3 LYS 26 far 3 68 5 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 31 far 3 60 5 - 4.6-20.4 HB3 ARG 23 - HE2 LYS 26 far 3 56 5 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 31 far 0 77 0 - 5.6-21.1 HB3 LYS 26 - HE2 LYS 31 far 0 70 0 - 5.9-13.4 HB3 ARG 23 - HE3 LYS 31 far 0 56 0 - 5.9-19.8 HB3 ARG 23 - HE3 LYS 19 far 0 60 0 - 5.9-13.1 HB3 LYS 19 - HE3 LYS 24 far 0 88 0 - 5.9-15.4 HB3 LYS 31 - HE2 LYS 26 far 0 81 0 - 6.0-15.4 HB ILE 32 - HE3 LYS 36 far 0 75 0 - 6.1-10.4 HB3 LYS 19 - HE2 LYS 31 far 0 86 0 - 6.1-19.6 HB2 LYS 36 - HE3 LYS 26 far 0 71 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 71 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 87 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 81 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 71 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 66 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 73 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 75 0 - 7.1-11.6 HB3 LYS 24 - HE2 LYS 19 far 0 85 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 88 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 73 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 63 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 74 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 87 0 - 8.0-21.6 HB3 ARG 23 - HE3 LYS 36 far 0 62 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 81 0 - 8.5-17.9 HB2 LEU 48 - HE2 LYS 26 far 0 86 0 - 8.5-37.3 HB3 LYS 26 - HE2 LYS 24 far 0 71 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 76 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 62 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 75 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 82 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 75 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 88 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 73 0 - 9.3-19.5 HB3 ARG 135 - HE3 LYS 86 far 0 76 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 73 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 88 0 - 9.6-24.7 HB2 LEU 48 - HE3 LYS 36 far 0 93 0 - 9.6-15.3 HB2 LEU 48 - HE3 LYS 26 far 0 86 0 - 9.7-38.1 HB3 LYS 26 - HE2 LYS 36 far 0 73 0 - 9.9-20.5 HB3 LYS 26 - HE3 LYS 19 far 0 70 0 - 10.0-19.9 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 27 assignments used, quality = 1.00: * HB3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.9-3.6 2695/1.8=78, 2646=70...(20) HB ILE 37 - HE3 LYS 36 poor 19 94 20 - 4.6-8.3 HB2 GLU 30 - HE2 LYS 19 far 5 100 5 - 3.5-20.0 HB2 GLU 30 - HE3 LYS 19 far 5 99 5 - 4.0-20.0 HB2 GLN 27 - HE2 LYS 31 far 5 95 5 - 3.7-15.0 HB ILE 37 - HE2 LYS 36 far 5 94 5 - 5.0-7.6 HB2 GLN 27 - HE3 LYS 26 far 5 91 5 - 5.0-9.7 HB3 ARG 90 - HE3 LYS 86 far 0 100 0 - 5.1-10.4 HB2 GLN 27 - HE3 LYS 31 far 0 91 0 - 5.2-15.3 HB2 GLU 30 - HE3 LYS 31 far 0 96 0 - 5.7-9.6 HB2 GLU 30 - HE2 LYS 31 far 0 99 0 - 5.9-9.3 HB2 GLU 30 - HE3 LYS 26 far 0 96 0 - 6.0-14.3 HB2 GLU 30 - HE2 LYS 26 far 0 96 0 - 6.1-14.2 HB2 GLN 27 - HE2 LYS 26 far 0 91 0 - 6.2-9.4 HB3 PRO 81 - HE3 LYS 86 far 0 97 0 - 6.3-11.7 HB ILE 37 - HE2 LYS 19 far 0 94 0 - 7.2-29.8 HB ILE 37 - HE3 LYS 19 far 0 92 0 - 7.2-28.1 HB2 GLN 27 - HE3 LYS 24 far 0 97 0 - 7.3-15.0 HB2 GLU 30 - HE3 LYS 24 far 0 100 0 - 7.4-19.2 HB ILE 37 - HE3 LYS 26 far 0 87 0 - 7.4-25.5 HB2 GLN 27 - HE2 LYS 19 far 0 97 0 - 8.0-19.4 HB2 GLN 27 - HE3 LYS 19 far 0 95 0 - 8.3-19.5 HB2 GLU 30 - HE2 LYS 24 far 0 99 0 - 8.4-19.3 HB2 GLN 27 - HE2 LYS 24 far 0 96 0 - 8.7-16.1 HB ILE 37 - HE2 LYS 26 far 0 87 0 - 8.8-26.7 HB2 PRO 58 - HE2 LYS 24 far 0 98 0 - 9.2-46.0 HB2 PRO 58 - HE3 LYS 24 far 0 99 0 - 9.2-44.5 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 62 assignments used, quality = 1.00: * HG2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.1 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 2.3-4.2 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 2.2-4.2 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 2.0-4.2 4.0=92, 484/6.4=16...(17) HG3 LYS 24 + HE2 LYS 24 OK 67 69 100 97 2.1-4.0 4.0=92, 484/6.4=16...(17) QB ALA 34 - HE2 LYS 26 poor 19 95 20 - 3.0-18.9 QB ALA 16 - HE2 LYS 19 poor 18 90 20 - 3.3-11.4 HG13 ILE 32 - HE3 LYS 31 poor 16 79 20 - 3.5-9.5 HG13 ILE 32 - HE2 LYS 31 poor 16 84 25 75 2.7-10.2 10757/6.5=13...(19) HG13 ILE 32 - HE2 LYS 26 far 12 79 15 - 3.8-14.7 QB ALA 34 - HE3 LYS 26 far 10 95 10 - 2.6-18.8 HG13 ILE 32 - HE3 LYS 26 far 8 79 10 - 3.9-14.0 QB ALA 34 - HE2 LYS 19 far 5 100 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 5 99 5 - 4.5-27.4 QB ALA 34 - HE3 LYS 19 far 5 99 5 - 3.4-21.5 QB ALA 16 - HE3 LYS 19 far 4 87 5 - 4.2-11.0 QB ALA 16 - HE3 LYS 31 far 4 83 5 - 4.7-22.0 HG2 LYS 31 - HE3 LYS 26 far 4 73 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 3 63 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 3 63 5 - 4.4-11.8 QB ALA 16 - HE2 LYS 31 far 0 87 0 - 4.9-20.9 QB ALA 34 - HE2 LYS 31 far 0 99 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 68 0 - 5.6-22.4 HG2 LYS 26 - HE3 LYS 24 far 0 95 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 86 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 100 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 100 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 95 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 63 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 73 0 - 6.0-16.7 QB ALA 34 - HE3 LYS 36 far 0 100 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 68 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 68 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 79 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 78 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 73 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 84 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.1-13.9 HG13 ILE 32 - HE3 LYS 36 far 0 86 0 - 7.3-12.5 QB ALA 16 - HE2 LYS 24 far 0 89 0 - 7.3-17.2 HG13 ILE 32 - HE2 LYS 19 far 0 87 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 89 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 80 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 80 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 86 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 80 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 80 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 74 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 68 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 75 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.3-22.8 QB ALA 16 - HE3 LYS 24 far 0 90 0 - 8.3-17.5 HG3 LYS 24 - HE2 LYS 19 far 0 71 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 98 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 95 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 96 0 - 9.8-20.6 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 18 assignments used, quality = 1.00: * HG3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.5-3.8 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.5-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 60 60 100 100 2.0-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 58 58 100 100 2.1-4.0 4.0=100 HG3 LYS 24 - HE2 LYS 26 far 3 53 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 3 53 5 - 4.4-11.8 HG3 LYS 24 - HE2 LYS 31 far 0 57 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 93 0 - 5.6-23.2 HG3 LYS 24 - HE3 LYS 31 far 0 53 0 - 5.9-22.5 HG LEU 42 - HE2 LYS 36 far 0 95 0 - 6.0-12.3 HG3 LYS 36 - HE2 LYS 26 far 0 93 0 - 6.2-22.9 HG LEU 42 - HE3 LYS 36 far 0 95 0 - 6.7-12.4 HG3 LYS 36 - HE3 LYS 31 far 0 93 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.2-12.8 QB ALA 52 - HE2 LYS 26 far 0 95 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 95 0 - 7.6-36.4 HG3 LYS 24 - HE2 LYS 19 far 0 60 0 - 8.5-16.5 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 94 assignments used, quality = 1.00: HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 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 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.3-3.0 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 2.4-3.0 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 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + 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 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 99 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 90 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 90 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 90 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 90 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 90 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 99 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 99 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 94 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 78 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 90 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 94 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 78 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 94 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 91 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 96 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 96 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 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 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.3-3.0 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 2.4-3.0 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 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + 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 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 99 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 90 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 90 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 90 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 90 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 90 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 99 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 99 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 94 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 78 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 90 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 94 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 78 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 94 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 91 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 96 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 96 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.9-20.9 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 2 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 - HE2 LYS 19 far 0 100 0 - 9.9-40.1 Violated in 0 structures by 0.00 A. Peak 2712 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE3 LYS 19 + HE3 LYS 19 OK 98 98 - 100 HE2 LYS 31 + HE2 LYS 31 OK 98 98 - 100 HE2 LYS 26 + HE2 LYS 26 OK 93 93 - 100 HE3 LYS 26 + HE3 LYS 26 OK 93 93 - 100 HE3 LYS 31 + HE3 LYS 31 OK 93 93 - 100 Peak 2714 from cnoeabs.peaks (8.12, 4.26, 61.26 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 87 + HA PHE 87 OK 100 100 100 100 2.8-2.8 2.9=100 H GLU 91 + HA PHE 87 OK 97 98 100 99 3.7-4.4 7223/7206=54, 7226=53...(14) Violated in 0 structures by 0.00 A. Peak 2715 from cnoeabs.peaks (4.26, 4.26, 61.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 87 + HA PHE 87 OK 100 100 - 100 Peak 2716 from cnoeabs.peaks (3.23, 4.26, 61.26 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (3.23, 4.26, 61.26 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.4-13.6 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 2.8-3.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (7.27, 4.26, 61.26 ppm; 4.96 A): 1 out of 4 assignments used, quality = 0.82: * QE PHE 87 + HA PHE 87 OK 82 100 100 82 4.4-4.5 5.6=69, 7152/2.9=30 HE ARG 84 - HA PHE 87 far 0 87 0 - 6.4-11.0 H ASN 85 - HA PHE 87 far 0 100 0 - 6.9-7.3 HD21 ASN 85 - HA PHE 87 far 0 73 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 2721 from cnoeabs.peaks (7.86, 4.26, 61.26 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 88 + HA PHE 87 OK 100 100 100 100 3.5-3.6 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 3.6-4.3 7206=100, 3.8/2723=69...(13) Violated in 0 structures by 0.00 A. Peak 2723 from cnoeabs.peaks (1.91, 4.26, 61.26 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 90 + HA PHE 87 OK 100 100 100 100 3.3-5.9 1.8/2804=88, 2794=85...(12) HB3 ARG 84 - HA PHE 87 far 0 98 0 - 7.9-8.8 Violated in 1 structures by 0.01 A. Peak 2724 from cnoeabs.peaks (1.95, 4.26, 61.26 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 86 + HA PHE 87 OK 100 100 100 100 3.8-5.0 7157/2.9=69, ~7156=45...(19) * HB3 ARG 90 + HA PHE 87 OK 33 100 35 94 3.4-5.9 7218/7206=48, 2804=45...(12) Violated in 13 structures by 0.06 A. Peak 2725 from cnoeabs.peaks (4.25, 3.23, 38.18 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HB2 PHE 87 OK 97 100 100 97 3.4-4.1 2530/4.0=46, 2532=42...(16) HA PHE 87 + HB2 PHE 87 OK 89 89 100 100 2.6-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 87 87 100 100 2.7-3.0 3.0=100 HA ARG 84 + HB3 PHE 87 OK 27 99 30 90 4.3-5.6 2530/4.0=46, 2532/1.8=37...(11) 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 4 assignments used, quality = 1.00: * H PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.1-2.2 4.0=92, 7170/4.5=42...(12) H PHE 87 + HB3 PHE 87 OK 98 99 100 99 2.9-3.5 4.0=92, 7165/1.8=45...(8) H GLU 91 - HB3 PHE 87 far 0 97 0 - 4.8-5.6 H GLU 91 - HB2 PHE 87 far 0 98 0 - 5.8-6.4 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 4 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.6-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 99 99 100 100 2.7-3.0 3.0=100 HA ARG 84 + HB2 PHE 87 OK 85 89 100 95 3.4-4.1 2530/4.0=39, 2532=36...(16) HA ARG 84 + HB3 PHE 87 OK 27 87 35 87 4.3-5.6 2530/4.0=39, 2532/1.8=32...(11) 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 2.3-2.5 2.5=100 QD PHE 87 + HB3 PHE 87 OK 99 99 100 100 2.3-2.6 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 4.4-4.5 4.4=100 H ASN 85 + HB2 PHE 87 OK 88 100 95 92 5.1-5.9 7182/4.5=44, 7115/4.0=38...(9) HE ARG 84 - HB2 PHE 87 far 13 87 15 - 4.0-8.4 HE ARG 84 - HB3 PHE 87 far 8 85 10 - 4.1-10.0 H ASN 85 - HB3 PHE 87 far 0 99 0 - 6.1-7.3 HD21 ASN 85 - HB2 PHE 87 far 0 73 0 - 8.6-9.6 HD21 ASN 85 - HB3 PHE 87 far 0 71 0 - 9.6-10.6 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 2.5-3.6 4.5=77, 7170/4.0=57...(26) H ALA 88 + HB3 PHE 87 OK 99 99 100 100 2.6-3.1 4.5=77, 7170/4.0=57...(25) Violated in 0 structures by 0.00 A. Peak 2734 from cnoeabs.peaks (4.25, 3.23, 38.18 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: HA ARG 84 + HB2 PHE 87 OK 96 99 100 97 3.4-4.1 2530/4.0=46, 2532=43...(16) HA PHE 87 + HB3 PHE 87 OK 89 89 100 100 2.7-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 87 87 100 100 2.6-3.0 3.0=100 * HA ARG 84 + HB3 PHE 87 OK 27 100 30 90 4.3-5.6 2530/4.0=46, 2532/1.8=37...(11) 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 4 assignments used, quality = 1.00: H PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.1-2.2 4.0=92, 7170/4.5=42...(12) * H PHE 87 + HB3 PHE 87 OK 99 100 100 99 2.9-3.5 4.0=92, 7165/1.8=45...(8) H GLU 91 - HB3 PHE 87 far 0 98 0 - 4.8-5.6 H GLU 91 - HB2 PHE 87 far 0 97 0 - 5.8-6.4 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 4 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.7-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.6-3.0 3.0=100 HA ARG 84 + HB2 PHE 87 OK 83 87 100 95 3.4-4.1 2530/4.0=39, 2532=37...(15) HA ARG 84 + HB3 PHE 87 OK 27 89 35 87 4.3-5.6 2530/4.0=39, 2532/1.8=32...(11) Violated in 0 structures by 0.00 A. Peak 2737 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 99 99 - 100 Reference assignment not found: HB2 PHE 87 - HB3 PHE 87 Peak 2738 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 99 99 - 100 Peak 2739 from cnoeabs.peaks (7.32, 3.23, 38.18 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-2.6 2.5=100 QD PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.3-2.5 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 4.4-4.5 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 87 99 95 92 5.1-5.9 7182/4.5=44, 7115/4.0=38...(9) HE ARG 84 - HB2 PHE 87 far 13 85 15 - 4.0-8.4 HE ARG 84 - HB3 PHE 87 far 9 87 10 - 4.1-10.0 H ASN 85 - HB3 PHE 87 far 0 100 0 - 6.1-7.3 HD21 ASN 85 - HB2 PHE 87 far 0 71 0 - 8.6-9.6 HD21 ASN 85 - HB3 PHE 87 far 0 73 0 - 9.6-10.6 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 2.6-3.1 4.5=77, 7170/4.0=57...(25) H ALA 88 + HB2 PHE 87 OK 99 99 100 100 2.5-3.6 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 - 9.7-10.8 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 5 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 95 - HA ALA 88 far 0 100 0 - 7.2-9.8 HG3 ARG 84 - HA ALA 88 far 0 73 0 - 7.2-10.7 HD2 LYS 95 - HA ALA 88 far 0 99 0 - 7.4-10.2 HG2 ARG 84 - HA ALA 88 far 0 73 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (8.69, 4.20, 54.89 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + HA ALA 88 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (8.13, 4.20, 54.89 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HA ALA 88 OK 100 100 100 100 3.3-3.7 7227=100, 2869/2868=61...(15) H PHE 87 - HA ALA 88 far 5 98 5 - 5.3-5.5 H VAL 133 - HA ALA 88 far 0 83 0 - 8.5-9.7 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 3 assignments used, quality = 1.00: * HB2 GLU 91 + HA ALA 88 OK 100 100 100 100 2.1-3.3 2860=100, 1.8/2868=93...(17) HG2 ARG 90 - HA ALA 88 far 0 63 0 - 6.3-7.3 HB ILE 129 - HA ALA 88 far 0 99 0 - 9.1-10.6 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 3 assignments used, quality = 1.00: * HB3 GLU 91 + HA ALA 88 OK 100 100 100 100 1.9-4.1 2868=100, 1.8/2860=91...(14) HG2 ARG 90 - HA ALA 88 far 0 97 0 - 6.3-7.3 HG3 ARG 135 - HA ALA 88 far 0 100 0 - 7.2-9.6 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (4.81, 1.66, 18.14 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.96: * HA ASN 85 + QB ALA 88 OK 96 100 100 96 2.4-3.5 7174/7185=47...(15) Violated in 1 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 2.0-2.3 3.0=100 H GLU 128 - QB ALA 88 far 0 65 0 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (4.20, 1.66, 18.14 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + QB ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 128 - QB ALA 88 far 0 99 0 - 6.2-7.5 HA SER 94 - QB ALA 88 far 0 60 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (1.66, 1.66, 18.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 88 + QB ALA 88 OK 100 100 - 100 Peak 2754 from cnoeabs.peaks (8.69, 1.66, 18.14 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + QB ALA 88 OK 100 100 100 100 2.8-3.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (8.69, 4.08, 62.01 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + HA PHE 89 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (4.08, 4.08, 62.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + HA PHE 89 OK 100 100 - 100 Peak 2757 from cnoeabs.peaks (3.31, 4.08, 62.01 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 89 + HA PHE 89 OK 85 85 100 100 2.4-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 far 5 99 5 - 5.6-8.1 HB3 TYR 72 - HA PHE 89 far 0 68 0 - 9.8-11.6 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 4 assignments used, quality = 1.00: * HB3 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 89 + HA PHE 89 OK 85 85 100 100 2.4-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 far 5 96 5 - 5.6-8.1 HB3 TYR 72 - HA PHE 89 far 0 99 0 - 9.8-11.6 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 2.1-3.1 3.1=100 HE ARG 135 - HA PHE 89 far 0 93 0 - 8.6-11.2 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 4.2-4.8 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 3.9-4.3 7247=100, 7257/2897=96...(16) Violated in 0 structures by 0.00 A. Peak 2764 from cnoeabs.peaks (1.43, 4.08, 62.01 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 92 + HA PHE 89 OK 100 100 100 100 3.4-4.2 2897=100, 7257/7247=71...(17) HG2 LYS 86 - HA PHE 89 far 0 98 0 - 6.8-7.2 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 8 assignments used, quality = 1.00: * HA LYS 86 + HB2 PHE 89 OK 100 100 100 100 2.1-3.2 11327/2.7=96...(16) HA LYS 86 + HB3 PHE 89 OK 61 61 100 100 2.2-3.4 11327/2.7=96...(13) HB2 SER 94 - HB3 PHE 89 far 0 51 0 - 7.9-10.4 HB2 SER 94 - HB2 PHE 89 far 0 92 0 - 8.2-10.9 HA LEU 70 - HB3 PHE 89 far 0 60 0 - 8.7-11.2 HA LEU 70 - HB2 PHE 89 far 0 99 0 - 9.2-11.7 HA3 GLY 75 - HB2 PHE 89 far 0 90 0 - 9.3-11.9 HA3 GLY 75 - HB3 PHE 89 far 0 50 0 - 9.4-12.1 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 2.3-2.9 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 8 assignments used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 SER 74 - HB3 PHE 89 far 0 47 0 - 8.7-11.8 HB2 SER 74 - HB2 PHE 89 far 0 87 0 - 9.0-12.3 HA CYS 79 - HB3 PHE 89 far 0 44 0 - 9.5-10.8 HB3 SER 74 - HB3 PHE 89 far 0 48 0 - 9.5-12.0 HB3 SER 74 - HB2 PHE 89 far 0 89 0 - 9.8-12.2 HA CYS 79 - HB2 PHE 89 far 0 83 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2768 from cnoeabs.peaks (3.31, 3.31, 39.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 89 + HB2 PHE 89 OK 100 100 - 100 HB3 PHE 89 + HB3 PHE 89 OK 46 46 - 100 Peak 2769 from cnoeabs.peaks (3.33, 3.31, 39.75 ppm; diagonal): 2 out of 2 assignments used, quality = 0.94: HB2 PHE 89 + HB2 PHE 89 OK 85 85 - 100 HB3 PHE 89 + HB3 PHE 89 OK 61 61 - 100 Reference assignment not found: HB3 PHE 89 - HB2 PHE 89 Peak 2770 from cnoeabs.peaks (7.07, 3.31, 39.75 ppm; 6.28 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 QD PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.3-2.6 2.7=100 HE ARG 135 - HB3 PHE 89 far 0 52 0 - 8.0-12.4 HE ARG 135 - HB2 PHE 89 far 0 93 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 2773 from cnoeabs.peaks (8.56, 3.31, 39.75 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB2 PHE 89 OK 100 100 100 100 2.3-3.9 4.4=100 H ARG 90 + HB3 PHE 89 OK 61 61 100 100 2.2-3.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (3.89, 3.33, 39.75 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HB3 PHE 89 OK 100 100 100 100 2.2-3.4 11327/2.7=96...(13) HA LYS 86 + HB2 PHE 89 OK 61 61 100 100 2.1-3.2 11327/2.7=96...(16) HB2 SER 94 - HB3 PHE 89 far 0 92 0 - 7.9-10.4 HB2 SER 94 - HB2 PHE 89 far 0 51 0 - 8.2-10.9 HA LEU 70 - HB3 PHE 89 far 0 99 0 - 8.7-11.2 HA LEU 70 - HB2 PHE 89 far 0 60 0 - 9.2-11.7 HA3 GLY 75 - HB2 PHE 89 far 0 50 0 - 9.3-11.9 HA3 GLY 75 - HB3 PHE 89 far 0 90 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 2775 from cnoeabs.peaks (8.69, 3.33, 39.75 ppm; 5.55 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.3-2.9 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 8 assignments used, quality = 1.00: * HA PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 SER 74 - HB3 PHE 89 far 0 87 0 - 8.7-11.8 HB2 SER 74 - HB2 PHE 89 far 0 47 0 - 9.0-12.3 HA CYS 79 - HB3 PHE 89 far 0 83 0 - 9.5-10.8 HB3 SER 74 - HB3 PHE 89 far 0 89 0 - 9.5-12.0 HB3 SER 74 - HB2 PHE 89 far 0 48 0 - 9.8-12.2 HA CYS 79 - HB2 PHE 89 far 0 44 0 - 9.8-10.6 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 2.3-2.7 2.7=100 HE ARG 135 - HB3 PHE 89 far 0 93 0 - 8.0-12.4 HE ARG 135 - HB2 PHE 89 far 0 52 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (8.56, 3.33, 39.75 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB3 PHE 89 OK 100 100 100 100 2.2-3.9 4.4=100 H ARG 90 + HB2 PHE 89 OK 61 61 100 100 2.3-3.9 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 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2784 from cnoeabs.peaks (3.79, 3.79, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HA ARG 90 OK 100 100 - 100 Peak 2785 from cnoeabs.peaks (1.91, 3.79, 59.97 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 73 0 - 7.0-8.3 HB3 LYS 95 - HA ARG 90 far 0 65 0 - 8.7-9.7 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 4 assignments used, quality = 1.00: * HB3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 93 0 - 7.0-8.3 HB3 LYS 86 - HA ARG 90 far 0 100 0 - 7.7-8.9 HB3 LYS 95 - HA ARG 90 far 0 97 0 - 8.7-9.7 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 4 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.5-3.7 3.8=100 HB3 GLU 91 - HA ARG 90 far 0 97 0 - 5.5-6.6 HB2 GLU 91 - HA ARG 90 far 0 63 0 - 5.5-6.5 HB ILE 129 - HA ARG 90 far 0 83 0 - 7.4-9.0 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 2.3-3.8 2824=95, 1.8/2787=72...(26) HG13 ILE 129 - HA ARG 90 far 0 96 0 - 4.8-7.9 HB3 LEU 70 - HA ARG 90 far 0 87 0 - 6.8-10.9 HB2 LEU 70 - HA ARG 90 far 0 81 0 - 7.7-11.1 HB ILE 80 - HA ARG 90 far 0 100 0 - 8.2-9.4 HG LEU 98 - HA ARG 90 far 0 76 0 - 9.0-11.5 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 2 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.1 5.2=100 HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-4.8 5.2=100 Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (3.17, 3.79, 59.97 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-4.8 5.2=100 HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.1 5.2=100 Violated in 0 structures by 0.00 A. Peak 2791 from cnoeabs.peaks (8.13, 3.79, 59.97 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + HA ARG 90 OK 100 100 100 100 3.5-3.5 3.6=100 H PHE 87 - HA ARG 90 far 0 98 0 - 7.4-7.9 H VAL 133 - HA ARG 90 far 0 83 0 - 9.1-10.3 H ASP 71 - HA ARG 90 far 0 96 0 - 9.5-11.7 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 2 assignments used, quality = 1.00: * H VAL 93 + HA ARG 90 OK 100 100 100 100 2.8-3.4 7262=100, 2918/9953=90...(13) H SER 74 - HA ARG 90 far 0 63 0 - 6.3-7.9 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 1 assignment used, quality = 1.00: * HB VAL 93 + HA ARG 90 OK 100 100 100 100 1.9-2.2 2.1/9953=72, 2.1/9962=68...(11) 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 3 assignments used, quality = 1.00: * HA PHE 87 + HB2 ARG 90 OK 100 100 100 100 3.3-5.9 2723=100, 2804/1.8=93...(12) HA SER 74 - HB2 ARG 90 poor 14 68 20 - 5.8-8.8 HA ARG 84 - HB2 ARG 90 far 0 89 0 - 9.2-11.5 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 2.3-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (3.79, 1.91, 29.98 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 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 HB3 LYS 86 - HB2 ARG 90 far 0 100 0 - 5.8-8.7 HB2 LYS 95 - HB2 ARG 90 far 0 93 0 - 7.9-10.3 HB3 LYS 95 - HB2 ARG 90 far 0 97 0 - 9.5-11.5 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 3 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 91 - HB2 ARG 90 poor 17 63 65 41 4.2-6.1 2861/4.4=20, ~4037=9...(5) HB3 GLU 91 - HB2 ARG 90 far 5 97 5 - 4.6-7.3 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 6 assignments used, quality = 1.00: * HG3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HG13 ILE 129 - HB2 ARG 90 far 0 96 0 - 7.3-10.6 HB ILE 80 - HB2 ARG 90 far 0 100 0 - 7.3-9.8 HB3 LEU 70 - HB2 ARG 90 far 0 87 0 - 8.8-13.8 HG LEU 98 - HB2 ARG 90 far 0 76 0 - 9.4-13.5 HB2 LEU 70 - HB2 ARG 90 far 0 81 0 - 9.6-13.8 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 2.1-4.2 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD2 ARG 84 - HB2 ARG 90 far 0 68 0 - 9.8-15.6 HD3 ARG 84 - HB2 ARG 90 far 0 68 0 - 9.8-15.4 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 2.0-3.8 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.1-4.2 3.8=100 HD2 ARG 84 - HB2 ARG 90 far 0 63 0 - 9.8-15.6 HD3 ARG 84 - HB2 ARG 90 far 0 63 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2803 from cnoeabs.peaks (8.13, 1.91, 29.98 ppm; 4.69 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 91 + HB2 ARG 90 OK 100 100 100 100 2.6-4.2 4.4=100 H PHE 87 + HB2 ARG 90 OK 23 98 25 94 5.5-7.7 2.9/2723=71, ~2804=40...(11) 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 3 assignments used, quality = 1.00: * HA PHE 87 + HB3 ARG 90 OK 100 100 100 100 3.4-5.9 2723/1.8=98...(12) HA SER 74 - HB3 ARG 90 poor 14 68 20 - 5.3-8.1 HA ARG 84 - HB3 ARG 90 far 0 89 0 - 9.1-11.6 Violated in 2 structures by 0.03 A. Peak 2805 from cnoeabs.peaks (8.56, 1.95, 29.98 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.3-3.6 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 1 assignment used, quality = 1.00: * HA ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (1.91, 1.95, 29.98 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 95 - HB3 ARG 90 far 0 73 0 - 7.8-9.5 HB3 LYS 95 - HB3 ARG 90 far 0 65 0 - 9.5-11.0 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 4 assignments used, quality = 1.00: * HG2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLU 91 - HB3 ARG 90 poor 16 63 25 - 4.2-6.4 HB3 GLU 91 - HB3 ARG 90 far 0 97 0 - 5.4-6.6 HB ILE 129 - HB3 ARG 90 far 0 83 0 - 9.8-11.5 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 6 assignments used, quality = 1.00: * HG3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HG13 ILE 129 - HB3 ARG 90 far 0 96 0 - 7.2-10.3 HB3 LEU 70 - HB3 ARG 90 far 0 87 0 - 7.7-13.7 HB2 LEU 70 - HB3 ARG 90 far 0 81 0 - 8.4-13.4 HB ILE 80 - HB3 ARG 90 far 0 100 0 - 8.4-9.9 HG LEU 98 - HB3 ARG 90 far 0 76 0 - 9.5-12.2 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 3 assignments used, quality = 1.00: * HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=100 HD3 ARG 84 - HB3 ARG 90 far 0 68 0 - 9.5-15.9 Violated in 0 structures by 0.00 A. Peak 2812 from cnoeabs.peaks (3.17, 1.95, 29.98 ppm; 5.03 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=100 HD3 ARG 84 - HB3 ARG 90 far 0 63 0 - 9.5-15.9 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 2 assignments used, quality = 1.00: * H GLU 91 + HB3 ARG 90 OK 100 100 100 100 2.5-4.0 4.4=100 H PHE 87 - HB3 ARG 90 far 10 98 10 - 5.3-7.7 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 4 assignments used, quality = 1.00: * H ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.0-3.1 7219=100, 7220/1.8=80...(23) H ALA 46 - HB2 GLU 44 far 3 54 5 - 4.8-5.7 H GLY 114 - HG2 PRO 58 far 0 61 0 - 8.5-16.1 H ALA 46 - HB3 GLU 40 far 0 40 0 - 8.6-10.0 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 9 assignments used, quality = 1.00: * HA ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.5-3.7 3.8=100 HD3 PRO 58 + HG2 PRO 58 OK 35 35 100 100 2.3-3.0 2.3=100 HA LEU 43 - HB2 GLU 44 far 0 88 0 - 5.5-6.6 HB2 SER 130 - HB2 GLU 44 far 0 56 0 - 7.4-10.5 HA LEU 43 - HB3 GLU 40 far 0 70 0 - 7.5-8.7 HB3 SER 130 - HB2 GLU 44 far 0 75 0 - 8.6-11.1 HA SER 130 - HB2 GLU 44 far 0 89 0 - 8.7-10.5 HA VAL 133 - HG2 ARG 90 far 0 65 0 - 9.4-10.2 HB2 SER 130 - HB3 GLU 40 far 0 43 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (1.91, 2.02, 28.15 ppm; 3.61 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 40 + HB3 GLU 40 OK 69 69 100 100 1.8-1.8 1.8=100 HB2 GLU 40 - HB2 GLU 44 far 0 86 0 - 4.6-7.9 HB3 LEU 48 - HB2 GLU 44 far 0 77 0 - 5.2-8.2 HB3 LYS 36 - HB3 GLU 40 far 0 40 0 - 6.3-13.2 HB2 PRO 113 - HG2 PRO 58 far 0 61 0 - 8.2-14.6 HB3 LYS 36 - HB2 GLU 44 far 0 54 0 - 8.3-13.5 HG2 PRO 113 - HG2 PRO 58 far 0 46 0 - 8.7-15.3 HB3 LEU 49 - HB2 GLU 44 far 0 95 0 - 8.9-12.3 HB2 LYS 95 - HG2 ARG 90 far 0 73 0 - 9.7-11.3 HG LEU 53 - HG2 PRO 58 far 0 39 0 - 9.7-14.1 HB3 LEU 49 - HG2 PRO 58 far 0 61 0 - 9.8-12.5 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 7 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.3-3.0 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 poor 20 100 20 - 4.7-6.9 HB ILE 37 - HB3 GLU 40 far 0 64 0 - 7.8-10.8 HG2 PRO 113 - HG2 PRO 58 far 0 46 0 - 8.7-15.3 HB2 LYS 95 - HG2 ARG 90 far 0 93 0 - 9.7-11.3 HG LEU 53 - HG2 PRO 58 far 0 51 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (2.02, 2.02, 28.15 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 96 96 - 100 HB3 GLU 40 + HB3 GLU 40 OK 70 70 - 100 HG2 PRO 58 + HG2 PRO 58 OK 61 61 - 100 Peak 2819 from cnoeabs.peaks (1.73, 2.02, 28.15 ppm; 3.18 A): 1 out of 13 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 39 - HB3 GLU 40 far 0 40 0 - 4.1-7.0 HB2 LEU 43 - HB2 GLU 44 far 0 95 0 - 4.5-6.0 HD3 LYS 39 - HB3 GLU 40 far 0 60 0 - 4.7-8.1 HB2 LEU 43 - HB3 GLU 40 far 0 78 0 - 4.9-7.1 HG LEU 48 - HB2 GLU 44 far 0 77 0 - 5.3-8.4 HB2 LYS 24 - HG2 PRO 58 far 0 51 0 - 6.0-42.4 HB ILE 80 - HG2 ARG 90 far 0 100 0 - 6.3-7.1 HG13 ILE 129 - HG2 ARG 90 far 0 96 0 - 6.4-10.4 HB2 LYS 39 - HB2 GLU 44 far 0 54 0 - 8.0-11.1 HD3 LYS 39 - HB2 GLU 44 far 0 77 0 - 8.4-12.6 HB3 LEU 70 - HG2 ARG 90 far 0 87 0 - 9.3-13.7 HB2 LEU 70 - HG2 ARG 90 far 0 81 0 - 9.9-13.7 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 2 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2822 from cnoeabs.peaks (8.13, 2.02, 28.15 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + HG2 ARG 90 OK 100 100 100 100 3.7-4.7 7233/2.9=72...(10) H PHE 87 - HG2 ARG 90 poor 20 98 20 - 4.5-6.5 H THR 25 - HG2 PRO 58 far 0 41 0 - 7.0-41.0 H VAL 133 - HG2 ARG 90 far 0 83 0 - 9.2-10.5 Violated in 14 structures by 0.16 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 2.0-4.0 7220=100, 7219/1.8=92...(23) Violated in 0 structures by 0.00 A. Peak 2824 from cnoeabs.peaks (3.79, 1.73, 28.15 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.3-3.8 3.8=100 HA VAL 133 - HG3 ARG 90 far 0 65 0 - 9.5-11.6 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 2 assignments used, quality = 1.00: * HB2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 95 - HG3 ARG 90 far 0 73 0 - 9.3-10.6 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 3 assignments used, quality = 1.00: * HB3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 86 - HG3 ARG 90 far 0 100 0 - 5.8-7.9 HB2 LYS 95 - HG3 ARG 90 far 0 93 0 - 9.3-10.6 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 4 assignments used, quality = 1.00: * HG2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 91 - HG3 ARG 90 far 3 63 5 - 3.6-7.9 HB3 GLU 91 - HG3 ARG 90 far 0 97 0 - 5.1-8.3 HB ILE 129 - HG3 ARG 90 far 0 83 0 - 8.9-11.5 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 2 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 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 2.2-5.3 7235=100, 2822/1.8=100...(11) H PHE 87 + HG3 ARG 90 OK 39 98 40 100 4.6-7.8 ~2723=62, ~2804=53...(20) H VAL 133 - HG3 ARG 90 far 0 83 0 - 9.4-11.7 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 3.6-5.1 7219/3.0=85, 7220/3.0=78...(24) H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.5-5.2 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 3 assignments used, quality = 1.00: * HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.8-5.1 2788/3.0=77, 2787/3.0=76...(27) HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.3-4.8 2788/3.0=77, 2787/3.0=76...(28) HA VAL 133 - HD3 ARG 90 far 0 65 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.1-4.2 3.8=100 HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 10.0-12.9 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 10 assignments used, quality = 1.00: * HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=100 HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=100 HB3 LYS 86 - HD2 ARG 90 far 5 100 5 - 4.3-7.6 HB2 GLN 27 - HD2 ARG 23 far 4 82 5 - 4.5-14.9 HB3 LYS 86 - HD3 ARG 90 far 0 100 0 - 5.3-8.5 HB2 GLN 27 - HD3 ARG 23 far 0 82 0 - 5.5-14.8 HB2 GLU 30 - HD2 ARG 23 far 0 91 0 - 7.0-19.8 HB2 GLU 30 - HD3 ARG 23 far 0 91 0 - 7.7-19.8 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 10.0-12.9 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 14 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 10 69 15 - 2.0-7.9 HB VAL 20 - HD2 ARG 23 far 3 69 5 - 3.6-8.3 HB2 GLU 91 - HD2 ARG 90 far 0 63 0 - 4.5-9.5 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.6-9.7 HB2 GLU 91 - HD3 ARG 90 far 0 62 0 - 5.7-8.4 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 6.8-9.3 HB3 GLU 30 - HD2 ARG 23 far 0 92 0 - 7.4-20.5 HB3 GLU 30 - HD3 ARG 23 far 0 92 0 - 7.5-20.4 QE MET 11 - HD3 ARG 23 far 0 75 0 - 7.5-25.0 HB ILE 129 - HD3 ARG 90 far 0 82 0 - 8.0-12.9 QE MET 11 - HD2 ARG 23 far 0 75 0 - 8.3-25.4 HB ILE 129 - HD2 ARG 90 far 0 83 0 - 9.6-12.9 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 20 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 64 65 100 100 2.0-4.1 3.7=94, 430/3.0=45...(16) HB2 ARG 23 + HD3 ARG 23 OK 64 65 100 100 2.0-4.1 3.7=94, 430/3.0=45...(16) HB2 LYS 26 - HD3 ARG 23 far 0 75 0 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 86 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 95 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 86 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 75 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 81 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 81 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 75 0 - 6.8-12.6 HB3 LEU 70 - HD3 ARG 90 far 0 86 0 - 7.1-14.5 HB ILE 80 - HD3 ARG 90 far 0 99 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 96 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 75 0 - 7.5-12.0 HB2 LEU 70 - HD3 ARG 90 far 0 80 0 - 7.7-14.0 HB3 LEU 70 - HD2 ARG 90 far 0 87 0 - 8.0-15.1 HB2 LEU 70 - HD2 ARG 90 far 0 81 0 - 8.2-15.0 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; 5.67 A): 6 out of 15 assignments used, quality = 1.00: H GLU 91 + HD3 ARG 90 OK 100 100 100 100 4.6-6.3 2822/3.0=91, 7233/3.8=88...(9) * H GLU 91 + HD2 ARG 90 OK 95 100 95 100 3.9-6.6 2822/3.0=91, 7233/3.8=88...(9) H LEU 22 + HD3 ARG 23 OK 52 65 85 95 3.0-7.3 10728/4.9=78...(14) H PHE 87 + HD2 ARG 90 OK 43 98 50 88 4.9-8.2 11181/11219=26...(13) H LEU 22 + HD2 ARG 23 OK 40 65 65 95 3.6-7.2 10728/4.9=78...(14) H PHE 87 + HD3 ARG 90 OK 31 98 40 78 5.1-8.6 ~11835=23, 9829/11304=23...(10) H THR 25 - HD2 ARG 23 poor 13 67 20 - 5.9-9.1 H THR 25 - HD3 ARG 23 far 10 67 15 - 5.2-8.7 H ILE 32 - HD3 ARG 23 far 0 81 0 - 7.8-21.8 H ILE 32 - HD2 ARG 23 far 0 81 0 - 8.0-22.8 H ASP 71 - HD3 ARG 90 far 0 95 0 - 8.9-14.5 H ALA 15 - HD2 ARG 23 far 0 77 0 - 9.2-19.7 H ASP 71 - HD2 ARG 90 far 0 96 0 - 9.3-15.6 H VAL 133 - HD3 ARG 90 far 0 82 0 - 9.6-13.0 H ASP 71 - HD2 ARG 23 far 0 85 0 - 9.9-32.4 Violated in 0 structures by 0.00 A. Peak 2841 from cnoeabs.peaks (8.56, 3.17, 43.40 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.5-5.2 7219/3.0=85, 7220/3.0=78...(23) H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.6-5.1 7219/3.0=85, 7220/3.0=78...(24) 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 3 assignments used, quality = 1.00: * HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.3-4.8 2788/3.0=77, 2787/3.0=76...(28) HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.8-5.1 2788/3.0=77, 2787/3.0=76...(27) HA VAL 133 - HD3 ARG 90 far 0 65 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.1-4.2 3.8=100 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 10.0-12.9 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 10 assignments used, quality = 1.00: * HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=100 HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=100 HB3 LYS 86 - HD2 ARG 90 far 5 100 5 - 4.3-7.6 HB2 GLN 27 - HD2 ARG 23 far 4 83 5 - 4.5-14.9 HB3 LYS 86 - HD3 ARG 90 far 0 100 0 - 5.3-8.5 HB2 GLN 27 - HD3 ARG 23 far 0 83 0 - 5.5-14.8 HB2 GLU 30 - HD2 ARG 23 far 0 92 0 - 7.0-19.8 HB2 GLU 30 - HD3 ARG 23 far 0 92 0 - 7.7-19.8 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 10.0-12.9 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 14 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 11 70 15 - 2.0-7.9 HB VAL 20 - HD2 ARG 23 far 4 70 5 - 3.6-8.3 HB2 GLU 91 - HD2 ARG 90 far 0 62 0 - 4.5-9.5 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.6-9.7 HB2 GLU 91 - HD3 ARG 90 far 0 63 0 - 5.7-8.4 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 6.8-9.3 HB3 GLU 30 - HD2 ARG 23 far 0 93 0 - 7.4-20.5 HB3 GLU 30 - HD3 ARG 23 far 0 93 0 - 7.5-20.4 QE MET 11 - HD3 ARG 23 far 0 76 0 - 7.5-25.0 HB ILE 129 - HD3 ARG 90 far 0 83 0 - 8.0-12.9 QE MET 11 - HD2 ARG 23 far 0 76 0 - 8.3-25.4 HB ILE 129 - HD2 ARG 90 far 0 82 0 - 9.6-12.9 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 20 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 65 66 100 100 2.0-4.1 3.7=95, 430/3.0=45...(16) HB2 ARG 23 + HD3 ARG 23 OK 65 66 100 100 2.0-4.1 3.7=95, 430/3.0=45...(16) HB2 LYS 26 - HD3 ARG 23 far 0 76 0 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 87 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 96 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 87 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 76 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 82 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 82 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 99 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.8-12.6 HB3 LEU 70 - HD3 ARG 90 far 0 87 0 - 7.1-14.5 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 95 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 76 0 - 7.5-12.0 HB2 LEU 70 - HD3 ARG 90 far 0 81 0 - 7.7-14.0 HB3 LEU 70 - HD2 ARG 90 far 0 86 0 - 8.0-15.1 HB2 LEU 70 - HD2 ARG 90 far 0 80 0 - 8.2-15.0 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; 5.67 A): 6 out of 15 assignments used, quality = 1.00: * H GLU 91 + HD3 ARG 90 OK 100 100 100 100 4.6-6.3 2822/3.0=91, 7233/3.8=88...(9) H GLU 91 + HD2 ARG 90 OK 95 100 95 100 3.9-6.6 2822/3.0=91, 7233/3.8=88...(9) H LEU 22 + HD3 ARG 23 OK 53 66 85 95 3.0-7.3 10728/4.9=78...(14) H PHE 87 + HD2 ARG 90 OK 43 98 50 88 4.9-8.2 11181/11219=25...(13) H LEU 22 + HD2 ARG 23 OK 40 66 65 95 3.6-7.2 10728/4.9=78...(14) H PHE 87 + HD3 ARG 90 OK 31 98 40 79 5.1-8.6 ~11835=23, 9829/11304=23...(10) H THR 25 - HD2 ARG 23 poor 14 68 20 - 5.9-9.1 H THR 25 - HD3 ARG 23 far 10 68 15 - 5.2-8.7 H ILE 32 - HD3 ARG 23 far 0 82 0 - 7.8-21.8 H ILE 32 - HD2 ARG 23 far 0 82 0 - 8.0-22.8 H ASP 71 - HD3 ARG 90 far 0 96 0 - 8.9-14.5 H ALA 15 - HD2 ARG 23 far 0 78 0 - 9.2-19.7 H ASP 71 - HD2 ARG 90 far 0 95 0 - 9.3-15.6 H VAL 133 - HD3 ARG 90 far 0 83 0 - 9.6-13.0 H ASP 71 - HD2 ARG 23 far 0 86 0 - 9.9-32.4 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 5 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 3.3-4.2 6956=63, 3.4/6938=42...(15) H PHE 87 - HA GLU 91 far 0 98 0 - 8.0-8.5 H VAL 133 - HA GLN 127 far 0 56 0 - 8.1-9.0 H ILE 32 - HA GLN 68 far 0 69 0 - 8.4-17.1 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 8 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.2-2.7 3.0=100 HB ILE 129 - HA GLN 127 far 0 73 0 - 5.1-5.6 HG2 ARG 90 - HA GLU 91 far 0 63 0 - 5.8-6.6 HB3 LEU 53 - HA GLN 127 far 0 76 0 - 7.6-10.2 HB VAL 63 - HA GLN 68 far 0 46 0 - 9.1-10.6 HB2 GLN 134 - HA GLN 127 far 0 44 0 - 9.3-11.4 HB ILE 37 - HA GLN 68 far 0 46 0 - 9.4-11.8 HB3 MET 11 - HA GLN 68 far 0 44 0 - 9.5-41.3 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 8 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 GLN 127 + HA GLN 127 OK 48 48 100 100 2.7-3.0 3.0=100 HG2 ARG 90 - HA GLU 91 far 0 97 0 - 5.8-6.6 QE MET 11 - HA GLN 68 far 0 78 0 - 8.4-37.3 HB VAL 63 - HA GLN 68 far 0 75 0 - 9.1-10.6 HB2 GLN 134 - HA GLN 127 far 0 68 0 - 9.3-11.4 HB3 MET 11 - HA GLN 68 far 0 76 0 - 9.5-41.3 HG3 ARG 135 - HA GLN 127 far 0 76 0 - 9.6-14.0 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 11 assignments used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 3.7-3.9 3.9=100 HG2 GLN 68 + HA GLN 68 OK 80 80 100 100 2.6-3.8 3.7=100 HB2 GLN 68 + HA GLN 68 OK 78 78 100 100 2.3-3.0 3.0=100 HB3 GLN 127 + HA GLN 127 OK 76 76 100 100 2.6-3.0 3.0=100 HB3 GLU 128 - HA GLN 127 far 0 76 0 - 5.5-6.6 HB3 LEU 96 - HA GLN 127 far 0 72 0 - 7.8-9.0 HB3 GLU 128 - HA GLU 91 far 0 100 0 - 8.1-10.5 HB3 LEU 96 - HA GLU 91 far 0 98 0 - 8.1-9.6 HB3 GLU 97 - HA GLN 68 far 0 75 0 - 8.8-12.3 HB3 GLN 104 - HA GLN 68 far 0 80 0 - 9.4-13.7 HB3 GLU 97 - HA GLU 91 far 0 97 0 - 9.5-11.4 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 3.4-3.6 2884=100, 1.8/2877=82...(15) HB VAL 126 + HA GLN 127 OK 74 75 100 99 4.1-4.7 2.1/10394=78...(12) HB2 GLU 128 - HA GLN 127 far 0 41 0 - 5.5-6.2 HB2 GLU 128 - HA GLU 91 far 0 63 0 - 7.6-10.5 HG3 GLN 134 - HA GLN 127 far 0 42 0 - 7.9-11.4 HB2 GLU 97 - HA GLN 68 far 0 42 0 - 8.4-13.2 HB2 GLU 97 - HA GLU 91 far 0 60 0 - 9.2-11.4 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; 4.25 A): 2 out of 6 assignments used, quality = 0.98: * H SER 94 + HA GLU 91 OK 94 100 100 94 4.2-4.5 7259/3.6=54, 3.6/2858=43...(8) H ILE 129 + HA GLN 127 OK 68 70 100 98 4.2-4.7 7855/3.6=58, 7820/2.9=54...(11) H SER 51 - HA GLN 127 far 0 73 0 - 7.8-9.1 H ILE 129 - HA GLU 91 far 0 97 0 - 9.1-10.6 H ILE 37 - HA GLN 68 far 0 50 0 - 9.2-11.5 H SER 38 - HA GLN 68 far 0 76 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 2858 from cnoeabs.peaks (3.90, 3.98, 58.93 ppm; 4.35 A): 1 out of 10 assignments used, quality = 0.63: * HB2 SER 94 + HA GLU 91 OK 63 100 100 63 3.8-5.0 2938=36, 3.6/2857=33 HB3 SER 50 - HA GLN 127 poor 14 66 45 47 4.7-7.2 1.8/4037=19, ~10503=13...(6) HA ALA 46 - HA GLN 127 far 7 73 10 - 5.0-6.3 HA LEU 70 - HA GLN 68 far 0 59 0 - 6.5-7.0 HB2 SER 33 - HA GLN 68 far 0 77 0 - 8.5-11.9 HA ALA 46 - HA GLN 68 far 0 79 0 - 8.6-9.8 HA LYS 86 - HA GLU 91 far 0 92 0 - 8.6-9.3 HA3 GLY 75 - HA GLN 68 far 0 81 0 - 9.2-12.5 HA ALA 41 - HA GLN 68 far 0 79 0 - 9.7-11.0 HA LEU 70 - HA GLU 91 far 0 81 0 - 10.0-12.4 Violated in 15 structures by 0.29 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 2.1-3.3 2748=100, 2868/1.8=97...(17) HA SER 94 - HB2 GLU 91 far 0 60 0 - 8.6-8.9 HA LEU 53 - HB3 PRO 56 far 0 33 0 - 8.6-9.4 HA GLU 128 - HB2 GLU 91 far 0 99 0 - 9.2-11.5 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 2 assignments used, quality = 1.00: * H GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.1-3.3 4.0=84, 2869/1.8=72...(23) H PHE 87 - HB2 GLU 91 far 0 98 0 - 6.0-7.7 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 2.2-2.7 3.0=100 HB3 SER 94 - HB2 GLU 91 far 0 99 0 - 6.0-8.0 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 8 assignments used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 56 + HB3 PRO 56 OK 33 33 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HB3 PRO 56 OK 33 33 100 100 2.7-2.7 2.3=100 HG3 PRO 113 - HB3 PRO 56 far 0 29 0 - 5.0-9.9 HG2 ARG 90 - HB2 GLU 91 far 0 97 0 - 5.3-7.4 HB3 GLU 55 - HB3 PRO 56 far 0 53 0 - 6.7-7.1 HG2 PRO 58 - HB3 PRO 56 far 0 55 0 - 8.5-8.9 HG3 ARG 135 - HB2 GLU 91 far 0 100 0 - 9.7-12.7 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 2.4-3.0 3.0=100 HB3 GLU 128 - HB2 GLU 91 far 0 100 0 - 7.9-9.9 HB3 LEU 96 - HB2 GLU 91 far 0 98 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (2.11, 1.99, 28.84 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.4-3.0 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 - 6.5-6.6 HB2 GLU 128 - HB2 GLU 91 far 0 63 0 - 6.8-10.3 HB VAL 112 - HB3 PRO 56 far 0 53 0 - 7.5-12.1 HB3 GLN 61 - HB3 PRO 56 far 0 53 0 - 8.5-10.3 HB2 GLN 61 - HB3 PRO 56 far 0 51 0 - 9.1-10.5 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 2 assignments used, quality = 1.00: * H ALA 92 + HB2 GLU 91 OK 100 100 100 100 3.5-4.1 7252=100, 7253/1.8=85...(22) HD22 ASN 59 - HB3 PRO 56 far 0 33 0 - 9.5-13.6 Violated in 1 structures by 0.00 A. Peak 2868 from cnoeabs.peaks (4.20, 2.03, 28.84 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + HB3 GLU 91 OK 100 100 100 100 1.9-4.1 2749=100, 2860/1.8=97...(14) HA SER 94 - HB3 GLU 91 far 0 60 0 - 8.3-8.9 HA GLU 128 - HB3 GLU 91 far 0 99 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2869 from cnoeabs.peaks (8.13, 2.03, 28.84 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.1-3.5 4.0=90, 2861/1.8=77...(18) H PHE 87 - HB3 GLU 91 far 0 98 0 - 6.3-8.2 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 2.3-2.8 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 HG2 ARG 90 - HB3 GLU 91 far 0 63 0 - 6.2-8.0 HB ILE 129 - HB3 GLU 91 far 0 99 0 - 10.0-12.1 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 2.4-3.0 3.0=100 HB3 GLU 128 - HB3 GLU 91 far 0 100 0 - 7.2-9.9 HB3 LEU 96 - HB3 GLU 91 far 0 98 0 - 9.4-10.7 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 - 7.3-10.2 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 3.4-4.1 7253=100, 7252/1.8=89...(19) Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (8.13, 2.23, 35.02 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.8-3.4 7241=100, 7242/1.8=72...(14) H PHE 87 - HG2 GLU 91 far 0 98 0 - 6.7-8.0 H VAL 133 - HG2 GLU 91 far 0 83 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (3.98, 2.23, 35.02 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 3.7-3.9 3.9=88, 2884/1.8=77...(15) HB3 SER 94 - HG2 GLU 91 far 0 99 0 - 6.5-8.5 HB2 SER 124 - HG2 GLU 91 far 0 92 0 - 9.7-11.9 Violated in 20 structures by 0.09 A. Peak 2878 from cnoeabs.peaks (1.99, 2.23, 35.02 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 0 63 0 - 6.2-7.6 HB ILE 129 - HG2 GLU 91 far 0 99 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.03, 2.23, 35.02 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 0 97 0 - 6.2-7.6 HG3 ARG 135 - HG2 GLU 91 far 0 100 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 2880 from cnoeabs.peaks (2.23, 2.23, 35.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 Peak 2881 from cnoeabs.peaks (2.11, 2.23, 35.02 ppm; 2.56 A): 1 out of 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 - 4.4-7.9 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 2.0-2.5 7254=100, 7255/1.8=81...(21) 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 3 assignments used, quality = 1.00: * H GLU 91 + HG3 GLU 91 OK 100 100 100 100 3.8-4.3 7242=100, 7241/1.8=80...(17) H PHE 87 - HG3 GLU 91 far 0 98 0 - 8.3-9.2 H VAL 133 - HG3 GLU 91 far 0 83 0 - 9.8-11.5 Violated in 16 structures by 0.13 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 3.4-3.6 3.9=88, 2877/1.8=78...(15) HB3 SER 94 - HG3 GLU 91 far 0 99 0 - 5.9-8.2 HB2 SER 124 - HG3 GLU 91 far 0 92 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (1.99, 2.11, 35.02 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG3 GLU 91 far 0 63 0 - 7.5-8.8 HB ILE 129 - HG3 GLU 91 far 0 99 0 - 8.6-10.2 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 3 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG3 GLU 91 far 0 97 0 - 7.5-8.8 HG3 ARG 135 - HG3 GLU 91 far 0 100 0 - 9.8-12.0 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 - 5.6-7.5 HB3 LEU 96 - HG3 GLU 91 far 0 98 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 2888 from cnoeabs.peaks (2.11, 2.11, 35.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 Peak 2889 from cnoeabs.peaks (7.82, 2.11, 35.02 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HG3 GLU 91 OK 100 100 100 100 2.6-3.3 7255=100, 7254/1.8=90...(25) 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 1 assignment used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 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 3.4-3.7 7273/3.6=45...(21) Violated in 0 structures by 0.00 A. Peak 2895 from cnoeabs.peaks (1.94, 4.05, 55.00 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.5-3.6 9948/2.1=67, 4.0/2894=53...(18) HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.8-4.8 ~9948=66, 4.0/2894=53...(17) HB3 ARG 90 - HA ALA 92 far 0 93 0 - 7.4-7.7 HB2 ARG 90 - HA ALA 92 far 0 73 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (1.94, 4.05, 55.00 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 95 + HA ALA 92 OK 100 100 100 100 2.5-3.6 9948/2.1=74, 4.0/2894=53...(19) * HB3 LYS 95 + HA ALA 92 OK 100 100 100 100 3.8-4.8 ~9948=66, 4.0/2894=53...(17) HB3 ARG 90 - HA ALA 92 far 0 97 0 - 7.4-7.7 HB2 ARG 90 - HA ALA 92 far 0 65 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (4.08, 1.43, 18.02 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: * HA PHE 89 + QB ALA 92 OK 99 100 100 99 3.4-4.2 2764=66, 7247/7257=54...(17) HB2 SER 74 - QB ALA 92 far 0 87 0 - 9.4-11.8 HA LEU 98 - QB ALA 92 far 0 83 0 - 9.9-10.4 Violated in 7 structures by 0.06 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 2.2-2.3 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 7 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 - 5.5-6.3 HA LEU 122 - QB ALA 92 far 0 100 0 - 6.1-7.8 HA LYS 95 - QB ALA 92 far 0 63 0 - 6.2-6.5 HB3 SER 124 - QB ALA 92 far 0 87 0 - 7.1-8.4 HA ARG 135 - QB ALA 92 far 0 57 0 - 9.3-11.5 HB2 SER 74 - QB ALA 92 far 0 83 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.43, 1.43, 18.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + QB ALA 92 OK 100 100 - 100 Peak 2901 from cnoeabs.peaks (8.43, 1.43, 18.02 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 100 100 2.4-2.9 3.7=100 H SER 74 - QB ALA 92 far 0 63 0 - 8.7-10.1 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 2 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 - 6.9-8.8 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 15 99 15 - 7.2-9.7 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 2.0-2.4 3.2=100 QD1 ILE 80 - HA VAL 93 far 0 83 0 - 7.9-9.0 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 2.4-2.7 3.2=100 QD2 LEU 96 + HA VAL 93 OK 100 100 100 100 1.9-2.8 11806=76, 2922/2919=35...(38) HG12 ILE 129 + HA VAL 93 OK 95 100 95 100 4.0-5.0 2.1/10461=75...(32) QD1 LEU 96 + HA VAL 93 OK 78 78 100 100 4.1-4.8 2.1/11806=62...(34) QD2 LEU 43 - HA VAL 93 far 0 100 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 2907 from cnoeabs.peaks (7.99, 3.25, 66.81 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + HA VAL 93 OK 100 100 100 100 3.6-3.6 3.6=100 H ILE 129 + HA VAL 93 OK 97 97 100 100 5.4-6.3 7873/10461=93...(11) 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 3.0-3.3 7311=100, 11425/2919=87...(28) H VAL 126 + HA VAL 93 OK 78 90 90 96 6.0-6.8 10400/10461=55...(10) H SER 99 - HA VAL 93 far 0 89 0 - 7.4-8.4 H LEU 69 - HA VAL 93 far 0 73 0 - 7.6-10.1 H ASP 131 - HA VAL 93 far 0 100 0 - 9.0-9.9 H LEU 123 - HA VAL 93 far 0 92 0 - 9.6-10.9 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 5 assignments used, quality = 1.00: * HB2 LEU 96 + HA VAL 93 OK 100 100 100 100 2.2-4.5 3.2/11806=74...(39) HG LEU 96 + HA VAL 93 OK 89 89 100 100 2.9-3.9 2.1/11806=87...(32) HG2 LYS 95 - HA VAL 93 far 10 99 10 - 5.0-7.8 HG3 LYS 95 - HA VAL 93 far 0 100 0 - 6.5-7.9 HB3 LEU 100 - HA VAL 93 far 0 100 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (2.23, 3.25, 66.81 ppm; 6.12 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 96 + HA VAL 93 OK 100 100 100 100 2.2-3.9 3.2/11806=93...(38) HB3 GLU 97 + HA VAL 93 OK 70 83 85 100 5.7-7.1 ~9972=62, ~9972=58...(22) HG2 GLU 91 - HA VAL 93 far 10 98 10 - 6.9-7.5 HB3 GLU 128 - HA VAL 93 far 5 97 5 - 6.1-9.0 HG2 GLN 68 - HA VAL 93 far 0 100 0 - 9.4-13.8 HB3 GLN 127 - HA VAL 93 far 0 97 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (3.79, 1.83, 31.34 ppm; 4.63 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 90 + HB VAL 93 OK 100 100 100 100 1.9-2.2 2793=100, 9953/2.1=92...(11) HA VAL 133 - HB3 ARG 135 far 2 35 5 - 4.2-7.2 HA SER 130 - HB3 ARG 135 far 0 58 0 - 8.4-10.6 HB2 SER 130 - HB3 ARG 135 far 0 33 0 - 9.5-12.5 HA SER 130 - HB VAL 93 far 0 96 0 - 9.6-10.7 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 2 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 100 100 2.2-2.5 4.0=100 H SER 74 - HB VAL 93 far 0 63 0 - 5.6-7.2 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 4 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 PHE 87 - HB3 ARG 135 far 0 45 0 - 9.1-11.5 HB3 PHE 87 - HB VAL 93 far 0 89 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2914 from cnoeabs.peaks (1.83, 1.83, 31.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HB VAL 93 OK 100 100 - 100 HB3 ARG 135 + HB3 ARG 135 OK 60 60 - 100 Peak 2915 from cnoeabs.peaks (0.29, 1.83, 31.34 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 93 + HB VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 80 - HB VAL 93 far 0 83 0 - 6.4-7.5 QD1 ILE 80 - HB3 ARG 135 far 0 47 0 - 6.9-9.0 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 90 100 90 100 3.7-4.9 11806/3.0=50, ~9974=43...(35) HG12 ILE 129 - HB VAL 93 far 5 100 5 - 4.7-6.9 QD1 LEU 96 - HB VAL 93 far 0 78 0 - 6.0-7.1 QD2 LEU 43 - HB3 ARG 135 far 0 63 0 - 7.3-9.2 QD2 LEU 43 - HB VAL 93 far 0 100 0 - 9.1-11.2 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 2.2-2.7 7281=100, 7283/2.1=93...(22) H ILE 129 - HB VAL 93 far 0 97 0 - 7.0-8.0 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 3 assignments used, quality = 1.00: * H VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.2-2.7 7270=100, 7269/2.1=63...(17) H SER 74 - QG2 VAL 93 poor 19 63 30 - 4.0-5.5 H ASP 47 - QG2 VAL 93 far 0 76 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2919 from cnoeabs.peaks (3.25, 0.29, 23.10 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.0-2.4 3.2=100 HB3 PHE 87 - QG2 VAL 93 far 0 89 0 - 8.9-9.5 HB2 PHE 87 - QG2 VAL 93 far 0 81 0 - 9.2-9.9 HD3 ARG 135 - QG2 VAL 93 far 0 89 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 2920 from cnoeabs.peaks (1.83, 0.29, 23.10 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG2 VAL 93 far 0 99 0 - 7.1-9.8 HB2 CYS 79 - QG2 VAL 93 far 0 97 0 - 9.7-10.8 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 7 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 96 + QG2 VAL 93 OK 99 100 100 99 1.9-3.1 11806/3.2=25, ~9974=23...(50) HG12 ILE 129 + QG2 VAL 93 OK 24 100 25 96 2.2-4.2 2.1/9967=53...(25) QD1 LEU 96 - QG2 VAL 93 far 0 78 0 - 4.0-5.3 QD2 LEU 43 - QG2 VAL 93 far 0 100 0 - 6.0-7.6 QD1 ILE 37 - QG2 VAL 93 far 0 60 0 - 8.3-9.4 QD2 LEU 103 - QG2 VAL 93 far 0 98 0 - 9.8-12.1 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 3.7-4.1 7282=100, 7283/2.1=87...(29) H ILE 129 + QG2 VAL 93 OK 81 97 85 98 4.5-5.2 7873/10487=60...(12) H SER 38 - QG2 VAL 93 far 0 97 0 - 9.9-11.7 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 2 assignments used, quality = 1.00: * H VAL 93 + QG1 VAL 93 OK 100 100 100 100 3.6-3.8 3.9=88, 2918/2.1=83...(13) H SER 74 + QG1 VAL 93 OK 52 63 85 97 3.2-4.9 2.9/9590=47...(14) 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 2 assignments used, quality = 1.00: * HA VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.4-2.7 3.2=100 HB3 PHE 87 - QG1 VAL 93 far 0 89 0 - 9.9-10.5 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 2 assignments used, quality = 1.00: * HB VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG1 VAL 93 far 0 99 0 - 6.5-8.4 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 2.0-2.1 2.1=100 QD1 ILE 80 - QG1 VAL 93 far 0 83 0 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (0.75, 0.75, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 93 + QG1 VAL 93 OK 100 100 - 100 Peak 2929 from cnoeabs.peaks (7.99, 0.75, 21.32 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + QG1 VAL 93 OK 100 100 100 100 2.5-3.0 7283=100, 7281/2.1=81...(23) H ILE 129 - QG1 VAL 93 far 0 97 0 - 6.8-7.5 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 - 6.6-7.4 H SER 51 - HA SER 124 far 0 93 0 - 9.7-10.9 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 4 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA LEU 70 - HA SER 94 far 0 81 0 - 5.6-8.2 HB3 SER 50 - HA SER 124 far 0 86 0 - 6.7-9.2 HA ALA 46 - HA SER 124 far 0 93 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2933 from cnoeabs.peaks (3.97, 4.23, 61.64 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 100 100 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 - 5.1-5.9 HA GLU 91 - HA SER 94 far 0 99 0 - 6.2-6.5 HA SER 50 - HA SER 124 far 0 66 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 2934 from cnoeabs.peaks (7.71, 4.23, 61.64 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 95 + HA SER 94 OK 100 100 100 100 3.4-3.5 3.6=100 H GLN 101 - HA SER 94 far 0 65 0 - 7.9-9.2 H LEU 53 - HA SER 124 far 0 92 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (8.50, 4.23, 61.64 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 97 + HA SER 94 OK 100 100 100 100 3.5-3.9 7334=100, 7345/3117=73...(17) H LEU 100 - HA SER 94 far 0 95 0 - 7.7-8.8 H SER 9 - HA SER 94 far 0 96 0 - 9.4-59.4 H VAL 132 - HA SER 124 far 0 56 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (2.14, 4.23, 61.64 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.95: * HB2 GLU 97 + HA SER 94 OK 95 100 95 100 2.9-5.1 3117=100, 2.9/11457=67...(11) HB3 LEU 69 - HA SER 94 far 0 65 0 - 7.9-13.0 HG3 GLU 91 - HA SER 94 far 0 60 0 - 8.4-8.8 Violated in 9 structures by 0.18 A. Peak 2937 from cnoeabs.peaks (2.21, 4.23, 61.64 ppm; 4.11 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 97 + HA SER 94 OK 95 100 95 100 3.4-5.1 1.8/3117=83...(11) HB3 GLN 127 + HA SER 124 OK 91 91 100 100 2.1-4.4 4049=92, 1.8/3966=77...(10) HB3 LEU 96 - HA SER 94 far 0 83 0 - 5.4-7.3 HB3 GLU 128 - HA SER 124 far 0 92 0 - 5.5-7.4 HB3 LEU 96 - HA SER 124 far 0 75 0 - 7.4-9.2 HB2 GLN 101 - HA SER 94 far 0 97 0 - 8.6-10.6 HG2 GLU 91 - HA SER 94 far 0 97 0 - 8.6-9.0 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 89 100 100 89 3.8-5.0 2858=82, 2857/3.6=33 HA SER 50 + HB3 SER 50 OK 60 60 100 100 2.3-3.0 3.0=100 HB3 SER 51 + HB3 SER 50 OK 33 73 75 60 3.9-6.3 3.8/6636=27, ~1611=15...(6) HA GLN 127 - HB3 SER 50 poor 17 67 45 58 4.7-7.2 4037/1.8=24, 2858=18...(6) HB2 SER 124 - HB3 SER 50 far 0 62 0 - 9.5-12.0 HB3 SER 99 - HB2 SER 94 far 0 71 0 - 9.6-12.9 HA THR 65 - HB3 SER 50 far 0 68 0 - 9.9-12.4 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 3 assignments used, quality = 1.00: * H SER 94 + HB2 SER 94 OK 100 100 100 100 2.2-2.9 3.6=100 H SER 51 + HB3 SER 50 OK 65 70 100 94 2.6-4.1 1601/1.8=54, 4.7=49...(18) H ILE 129 - HB3 SER 50 far 0 67 0 - 8.8-11.3 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 2.3-2.7 3.0=100 HA SER 51 - HB3 SER 50 far 9 60 15 - 4.2-5.5 HA SER 124 - HB3 SER 50 far 0 70 0 - 6.7-9.2 HA ALA 88 - HB2 SER 94 far 0 60 0 - 8.6-9.9 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 8 assignments used, quality = 1.00: * HB3 SER 94 + HB2 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 50 + HB3 SER 50 OK 35 46 100 75 2.3-3.0 3.0=69, 3.6/6636=10...(4) HA GLU 91 - HB2 SER 94 far 0 99 0 - 3.8-5.0 HB3 SER 51 - HB3 SER 50 far 0 69 0 - 3.9-6.3 HA GLN 127 - HB3 SER 50 far 0 73 0 - 4.7-7.2 HB2 SER 51 - HB3 SER 50 far 0 35 0 - 4.8-6.7 HB2 SER 124 - HB3 SER 50 far 0 48 0 - 9.5-12.0 HA THR 65 - HB3 SER 50 far 0 73 0 - 9.9-12.4 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 3.7-4.3 4.4=100 H LEU 53 + HB3 SER 50 OK 69 69 100 100 5.4-6.4 6658/4.7=84, 6657/3.0=78...(13) H CYS 45 - HB3 SER 50 far 0 57 0 - 8.2-10.8 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 2.2-3.6 3.6=100 H SER 51 + HB3 SER 51 OK 90 90 100 100 2.1-3.1 3.8=100 H THR 18 - HA VAL 20 far 0 30 0 - 6.2-7.5 H LYS 36 - HA VAL 20 far 0 40 0 - 9.4-25.8 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 9 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 2.4-3.0 2.9=100 HA ALA 29 - HA VAL 20 far 2 40 5 - 4.5-17.9 HA ALA 28 - HA VAL 20 far 2 40 5 - 4.1-16.2 HA ALA 34 - HA VAL 20 far 0 39 0 - 7.6-26.0 HA GLN 27 - HA VAL 20 far 0 37 0 - 8.1-15.6 HA ALA 88 - HB3 SER 94 far 0 60 0 - 8.1-10.3 HA GLU 30 - HA VAL 20 far 0 39 0 - 8.8-19.7 HA SER 99 - HB3 SER 94 far 0 92 0 - 9.9-11.8 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 6 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 - 3.9-6.3 HA3 GLY 75 - HA VAL 20 far 0 41 0 - 7.6-30.4 HA LEU 70 - HB3 SER 94 far 0 81 0 - 7.9-10.8 HB2 SER 33 - HA VAL 20 far 0 38 0 - 8.3-23.6 HA ALA 46 - HB3 SER 51 far 0 91 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (3.97, 3.97, 62.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 SER 94 + HB3 SER 94 OK 100 100 - 100 HB3 SER 51 + HB3 SER 51 OK 89 89 - 100 HA VAL 20 + HA VAL 20 OK 31 31 - 100 Peak 2949 from cnoeabs.peaks (7.71, 3.97, 62.72 ppm; 4.69 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 100 100 2.7-4.0 4.4=100 H LEU 53 + HB3 SER 51 OK 27 89 30 100 5.0-6.2 9219/1.8=87, 6658/3.8=55...(9) H GLN 101 - HB3 SER 94 far 0 65 0 - 9.7-11.2 H CYS 45 - HB3 SER 51 far 0 76 0 - 10.0-11.6 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 2.8-2.9 2.9=100 H GLN 101 - HA LYS 95 far 0 65 0 - 7.4-8.4 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 4 assignments used, quality = 1.00: * HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 93 0 - 8.5-10.4 HB2 ARG 90 - HA LYS 95 far 0 73 0 - 8.6-10.8 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 4 assignments used, quality = 1.00: * HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 97 0 - 8.5-10.4 HB2 ARG 90 - HA LYS 95 far 0 65 0 - 8.6-10.8 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 5 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-3.6 3.9=100 HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HB2 LEU 96 - HA LYS 95 far 0 99 0 - 5.5-6.5 HG LEU 96 - HA LYS 95 far 0 97 0 - 6.0-6.6 HB3 LEU 100 - HA LYS 95 far 0 99 0 - 7.6-10.1 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 5 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-3.6 3.9=100 HB2 LEU 96 - HA LYS 95 far 0 100 0 - 5.5-6.5 HG LEU 96 - HA LYS 95 far 0 96 0 - 6.0-6.6 HB3 LEU 100 - HA LYS 95 far 0 99 0 - 7.6-10.1 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 2.4-5.1 3158=100, 1.8/2963=86...(15) * HD2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-4.7 5.0=66, 7303/2.9=35...(29) HD3 LYS 95 + HA LYS 95 OK 99 100 100 100 2.3-4.7 5.0=66, 7304/2.9=35...(29) 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 100 100 100 100 2.3-4.7 5.0=65, 7304/2.9=35...(29) HD2 LYS 95 + HA LYS 95 OK 99 100 100 100 2.3-4.7 5.0=65, 7303/2.9=35...(29) HB2 LEU 98 + HA LYS 95 OK 99 99 100 100 2.4-5.1 3158=99, 1.8/2963=86...(15) 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 4.4-5.7 6.4=100 HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.9 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 4.4-5.7 6.4=100 * HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.9 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 83 89 95 98 4.1-5.3 4.6/3158=50, 4.6/2963=49...(17) H VAL 126 - HA LYS 95 far 0 90 0 - 8.4-9.6 H LEU 123 - HA LYS 95 far 0 92 0 - 9.7-11.5 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=86...(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 2.4-5.1 3158=100, 1.8/2963=86...(15) HD2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-4.7 5.0=65, 7303/2.9=35...(29) HD3 LYS 95 + HA LYS 95 OK 99 99 100 100 2.3-4.7 5.0=65, 7303/2.9=35...(29) Violated in 0 structures by 0.00 A. Peak 2963 from cnoeabs.peaks (1.78, 4.02, 59.62 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 98 + HA LYS 95 OK 100 100 100 100 2.9-4.4 1.8/3158=80...(21) HB3 LEU 122 - HA LYS 95 far 0 98 0 - 7.0-11.0 HG LEU 100 - HA LYS 95 far 0 99 0 - 8.0-10.6 Violated in 4 structures by 0.04 A. Peak 2964 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 5.42 A): 9 out of 14 assignments used, quality = 1.00: * HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.5-3.6 2894/4.0=71, 2.1/9948=62...(18) HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 3.8-4.8 ~9948=84, 2894/4.0=71...(16) HA LEU 96 + HB2 LYS 95 OK 98 99 100 99 4.0-4.8 2.9/7316=43...(28) HA LEU 96 + HB3 LYS 95 OK 97 99 100 98 4.0-4.9 2.9/7316=43, ~7316=33...(29) HD3 PRO 81 + HB3 PRO 81 OK 72 72 100 100 3.9-4.0 3.0=100 HA LYS 95 + HB2 LYS 95 OK 63 63 100 100 3.0-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 62 62 100 100 2.3-2.7 3.0=100 HA LEU 122 + HB3 LYS 95 OK 35 100 70 51 5.1-7.2 3994/11658=19...(8) HA LEU 122 + HB2 LYS 95 OK 21 100 40 53 5.9-7.9 3994/11658=19...(10) HD3 PRO 81 - HB3 LYS 86 far 0 31 0 - 6.6-9.4 HA ARG 135 - HB3 PRO 81 far 0 38 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 86 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 87 0 - 8.3-10.6 HB THR 65 - HB2 PRO 58 far 0 61 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (7.71, 1.94, 32.34 ppm; 5.14 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-2.9 4.0=100 H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.5-3.6 4.0=100 H GLN 101 - HB3 LYS 95 far 0 64 0 - 8.6-10.0 H GLN 101 - HB2 LYS 95 far 0 65 0 - 9.3-10.6 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 16 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HA LEU 96 + HB2 LYS 95 OK 75 78 100 96 4.0-4.8 2.9/7316=37...(27) HA LEU 96 + HB3 LYS 95 OK 74 77 100 95 4.0-4.9 2.9/7316=37, ~7316=26...(28) HA SER 60 + HB2 PRO 58 OK 71 72 100 98 4.8-5.1 ~10975=55, ~9330=46...(14) HA ALA 92 + HB2 LYS 95 OK 61 63 100 98 2.5-3.6 2.1/9948=59, 2894/4.0=29...(18) HD3 PRO 81 + HB3 PRO 81 OK 61 61 100 100 3.9-4.0 3.0=100 HA ALA 92 + HB3 LYS 95 OK 61 62 100 99 3.8-4.8 ~9948=71, ~9948=34...(16) HB3 SER 99 - HB3 LYS 95 far 9 92 10 - 4.8-8.2 HB3 SER 99 - HB2 LYS 95 far 0 93 0 - 6.1-9.5 HB2 SER 124 - HB3 LYS 95 far 0 72 0 - 6.3-8.2 HD3 PRO 81 - HB3 LYS 86 far 0 26 0 - 6.6-9.4 HB2 SER 124 - HB2 LYS 95 far 0 73 0 - 6.9-9.0 HA ARG 135 - HB3 PRO 81 far 0 77 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 97 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 97 0 - 8.3-10.6 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): 7 out of 15 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 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 93 99 100 94 4.7-5.8 3.2/11443=37...(26) HB2 LEU 96 + HB3 LYS 95 OK 82 98 90 93 5.1-6.4 3.8/7316=35, ~11443=28...(26) QB ALA 110 + HB2 PRO 58 OK 29 76 45 86 2.7-11.2 10930/1.8=74...(3) HG LEU 96 - HB2 LYS 95 poor 19 97 20 - 5.7-6.8 QB ALA 109 - HB2 PRO 58 far 4 77 5 - 5.7-10.5 QB ALA 108 - HB2 PRO 58 far 4 77 5 - 4.9-11.2 HG LEU 96 - HB3 LYS 95 far 0 97 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 74 0 - 7.7-44.7 HB3 LEU 100 - HB3 LYS 95 far 0 98 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 99 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 76 0 - 9.8-40.0 Violated in 0 structures by 0.00 A. Peak 2970 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.15 A): 7 out of 15 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 93 100 100 94 4.7-5.8 3.2/11443=37...(26) HB2 LEU 96 + HB3 LYS 95 OK 83 99 90 93 5.1-6.4 3.8/7316=35, ~11443=28...(26) QB ALA 110 + HB2 PRO 58 OK 30 77 45 86 2.7-11.2 10930/1.8=74...(3) HG LEU 96 - HB2 LYS 95 poor 19 96 20 - 5.7-6.8 QB ALA 108 - HB2 PRO 58 far 4 77 5 - 4.9-11.2 QB ALA 109 - HB2 PRO 58 far 4 77 5 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 95 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 75 0 - 7.7-44.7 HB3 LEU 100 - HB3 LYS 95 far 0 99 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 99 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 77 0 - 9.8-40.0 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 25 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HD2 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 2.2-3.9 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 99 99 100 100 3.1-4.1 3.7=100 HD2 LYS 86 + HB3 LYS 86 OK 33 33 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 33 33 100 100 2.6-3.8 3.5=100 HB2 LEU 98 + HB2 LYS 95 OK 30 100 30 100 5.1-7.8 3158/3.0=87, ~2963=61...(23) HB2 LEU 98 + HB3 LYS 95 OK 30 100 30 100 4.2-7.2 3158/3.0=87, ~2963=61...(23) QB ALA 88 - HB3 LYS 86 far 0 33 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 75 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 63 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 50 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 75 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 75 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 76 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 99 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 76 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 63 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 98 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 71 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 75 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 99 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 92 0 - 9.9-13.5 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 25 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HD2 LYS 86 + HB3 LYS 86 OK 34 34 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 34 34 100 100 2.6-3.8 3.5=100 HB2 LEU 98 + HB2 LYS 95 OK 30 99 30 100 5.1-7.8 3158/3.0=86, ~2963=61...(23) HB2 LEU 98 + HB3 LYS 95 OK 30 98 30 100 4.2-7.2 3158/3.0=86, ~2963=61...(23) QB ALA 88 - HB3 LYS 86 far 0 34 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 22 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 71 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 54 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 59 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 22 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 77 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 77 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 78 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 78 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 54 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 64 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 77 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 97 0 - 9.9-13.5 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: HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 * HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 75 76 100 99 4.3-5.9 6718/4.3=97, 4.5/9332=48...(5) HB2 ASN 116 - HB2 PRO 58 far 0 39 0 - 9.3-13.2 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: * HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 75 76 100 99 4.3-5.9 6718/4.3=97, 4.5/9332=48...(5) HB2 ASN 116 - HB2 PRO 58 far 0 39 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 6.04 A): 4 out of 11 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.6-3.1 4.6=100 H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.0 4.6=100 H SER 99 + HB3 LYS 95 OK 70 88 100 80 4.8-6.1 2960/3.0=44, ~11439=15...(12) H SER 99 + HB2 LYS 95 OK 60 89 85 80 6.1-7.1 2960/3.0=44, ~11439=15...(11) H VAL 126 - HB2 LYS 95 poor 18 90 25 80 6.4-8.0 4.7/11658=37...(6) H VAL 126 - HB3 LYS 95 far 9 89 10 - 6.9-7.9 H ALA 110 - HB2 PRO 58 far 7 45 15 - 6.0-12.6 H GLY 111 - HB2 PRO 58 lone 2 41 80 6 4.2-11.9 3.7/2982=4 H LEU 123 - HB3 LYS 95 far 0 91 0 - 8.3-9.8 H LEU 123 - HB2 LYS 95 far 0 92 0 - 8.7-10.7 H GLU 40 - HB3 PRO 81 far 0 76 0 - 9.6-15.9 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 5.51 A): 9 out of 14 assignments used, quality = 1.00: * HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 3.8-4.8 ~9948=85, 2894/4.0=73...(16) HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.5-3.6 2894/4.0=73, 2.1/9948=71...(18) HA LEU 96 + HB3 LYS 95 OK 98 99 100 99 4.0-4.9 2.9/7317=44, ~7316=33...(29) HA LEU 96 + HB2 LYS 95 OK 98 99 100 99 4.0-4.8 2.9/7317=44...(28) HD3 PRO 81 + HB3 PRO 81 OK 77 77 100 100 3.9-4.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 63 63 100 100 2.3-2.7 3.0=100 HA LYS 95 + HB2 LYS 95 OK 62 62 100 100 3.0-3.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 39 100 75 52 5.1-7.2 3994/11658=19...(8) HA LEU 122 + HB2 LYS 95 OK 22 100 40 55 5.9-7.9 3994/11658=19...(10) HD3 PRO 81 - HB3 LYS 86 far 0 38 0 - 6.6-9.4 HA ARG 135 - HB3 PRO 81 far 0 41 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 87 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 86 0 - 8.3-10.6 HB THR 65 - HB2 PRO 58 far 0 68 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (7.71, 1.94, 32.34 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.5-3.6 4.0=100 H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-2.9 4.0=100 H GLN 101 - HB3 LYS 95 far 0 65 0 - 8.6-10.0 H GLN 101 - HB2 LYS 95 far 0 64 0 - 9.3-10.6 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 16 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 60 + HB2 PRO 58 OK 78 79 100 99 4.8-5.1 ~10975=53, ~9330=45...(14) HA LEU 96 + HB3 LYS 95 OK 74 78 100 95 4.0-4.9 2.9/7317=36, ~7316=26...(28) HA LEU 96 + HB2 LYS 95 OK 74 77 100 96 4.0-4.8 2.9/7317=36...(27) HD3 PRO 81 + HB3 PRO 81 OK 65 65 100 100 3.9-4.0 3.0=100 HA ALA 92 + HB3 LYS 95 OK 62 63 100 99 3.8-4.8 ~9948=70, ~9948=34...(16) HA ALA 92 + HB2 LYS 95 OK 61 62 100 98 2.5-3.6 2.1/9948=67, 2894/4.0=28...(18) HB3 SER 99 - HB3 LYS 95 far 9 93 10 - 4.8-8.2 HB3 SER 99 - HB2 LYS 95 far 0 92 0 - 6.1-9.5 HB2 SER 124 - HB3 LYS 95 far 0 73 0 - 6.3-8.2 HD3 PRO 81 - HB3 LYS 86 far 0 31 0 - 6.6-9.4 HB2 SER 124 - HB2 LYS 95 far 0 72 0 - 6.9-9.0 HA ARG 135 - HB3 PRO 81 far 0 82 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 97 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 97 0 - 8.3-10.6 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 15 assignments used, quality = 1.00: * HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 93 98 100 95 4.7-5.8 3.2/11443=39...(26) HB2 LEU 96 + HB3 LYS 95 OK 84 99 90 94 5.1-6.4 3.8/7317=37, ~11443=29...(26) HG LEU 96 + HB2 LYS 95 OK 35 97 40 89 5.7-6.8 2.1/11443=46...(13) QB ALA 110 + HB2 PRO 58 OK 33 83 45 89 2.7-11.2 10930/1.8=78...(3) QB ALA 109 - HB2 PRO 58 far 4 85 5 - 5.7-10.5 QB ALA 108 - HB2 PRO 58 far 4 84 5 - 4.9-11.2 HG LEU 96 - HB3 LYS 95 far 0 97 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 81 0 - 7.7-44.7 HB3 LEU 100 - HB3 LYS 95 far 0 99 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 98 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 83 0 - 9.8-40.0 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 15 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 2.5-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 94 99 100 95 4.7-5.8 3.2/11443=39...(26) HB2 LEU 96 + HB3 LYS 95 OK 84 100 90 94 5.1-6.4 3.8/7317=37, ~11443=29...(26) QB ALA 110 + HB2 PRO 58 OK 34 84 45 89 2.7-11.2 10930/1.8=78...(3) HG LEU 96 + HB2 LYS 95 OK 34 95 40 89 5.7-6.8 2.1/11443=46...(13) QB ALA 108 - HB2 PRO 58 far 4 85 5 - 4.9-11.2 QB ALA 109 - HB2 PRO 58 far 4 84 5 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 96 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 83 0 - 7.7-44.7 HB3 LEU 100 - HB3 LYS 95 far 0 99 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 99 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 84 0 - 9.8-40.0 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 25 assignments used, quality = 1.00: * HD2 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 2.1-3.6 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.2-3.9 3.7=100 HD2 LYS 86 + HB3 LYS 86 OK 41 41 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 41 41 100 100 2.6-3.8 3.5=100 HB2 LEU 98 + HB3 LYS 95 OK 30 100 30 100 4.2-7.2 3158/3.0=81, ~2963=55...(23) HB2 LEU 98 + HB2 LYS 95 OK 25 100 25 100 5.1-7.8 3158/3.0=81, ~2963=55...(23) QB ALA 88 - HB3 LYS 86 far 0 40 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 32 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 83 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 67 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 53 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 32 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 83 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 82 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 81 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 98 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 81 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 67 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 99 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 76 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 80 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 100 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 91 0 - 9.9-13.5 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 25 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.1-3.6 3.7=100 HD2 LYS 86 + HB3 LYS 86 OK 42 42 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 42 42 100 100 2.6-3.8 3.5=100 HB2 LEU 98 + HB3 LYS 95 OK 30 99 30 100 4.2-7.2 3158/3.0=80, ~2963=55...(23) HB2 LEU 98 + HB2 LYS 95 OK 25 98 25 100 5.1-7.8 3158/3.0=80, ~2963=55...(23) QB ALA 88 - HB3 LYS 86 far 0 41 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 27 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 78 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 58 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 64 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 27 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 85 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 85 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 82 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 82 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 58 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 69 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 82 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 98 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 97 0 - 9.9-13.5 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: HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 * HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 83 83 100 99 4.3-5.9 6718/4.3=97, 4.5/9332=59...(5) HB2 ASN 116 - HB2 PRO 58 far 0 44 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 83 83 100 99 4.3-5.9 6718/4.3=97, 4.5/9332=59...(5) HB2 ASN 116 - HB2 PRO 58 far 0 44 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 6.73 A): 6 out of 11 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.0 4.6=100 H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.6-3.1 4.6=100 H SER 99 + HB3 LYS 95 OK 75 89 100 85 4.8-6.1 2960/3.0=46, ~11439=18...(12) H SER 99 + HB2 LYS 95 OK 74 88 100 84 6.1-7.1 2960/3.0=46, ~11439=18...(13) H VAL 126 + HB2 LYS 95 OK 69 89 90 86 6.4-8.0 4.7/11658=43...(7) H VAL 126 + HB3 LYS 95 OK 62 90 80 85 6.9-7.9 4.7/11652=45...(6) H ALA 110 - HB2 PRO 58 poor 18 51 35 - 6.0-12.6 H GLY 111 - HB2 PRO 58 lone 3 47 80 7 4.2-11.9 3.7/2982=5 H LEU 123 - HB3 LYS 95 far 0 92 0 - 8.3-9.8 H LEU 123 - HB2 LYS 95 far 0 91 0 - 8.7-10.7 H GLU 40 - HB3 PRO 81 far 0 80 0 - 9.6-15.9 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 1.9-4.4 4.6=98, 7299/3.0=40...(36) H LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.8-4.3 4.6=98, 7299/3.0=40...(35) H GLN 101 - HG3 LYS 95 far 0 65 0 - 9.3-11.6 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 2.9-3.6 3.9=100 HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HA ALA 92 + HG2 LYS 95 OK 57 63 100 91 2.2-5.0 ~9948=38, 3033/3.7=21...(19) HA ALA 92 - HG3 LYS 95 poor 12 62 20 - 2.7-5.6 HA LEU 96 - HG2 LYS 95 far 0 78 0 - 5.9-6.6 HB3 SER 99 - HG3 LYS 95 far 0 93 0 - 6.0-10.4 HA LEU 96 - HG3 LYS 95 far 0 78 0 - 6.1-6.5 HB3 SER 99 - HG2 LYS 95 far 0 93 0 - 6.9-10.5 HB2 SER 124 - HG2 LYS 95 far 0 73 0 - 7.4-9.6 HB2 SER 124 - HG3 LYS 95 far 0 73 0 - 7.8-10.3 HB3 SER 124 - HG2 LYS 95 far 0 97 0 - 9.1-11.3 HB3 SER 124 - HG3 LYS 95 far 0 97 0 - 9.4-11.8 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 8 assignments used, quality = 1.00: * HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 8.7-10.7 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 8 assignments used, quality = 1.00: * HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 97 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 96 0 - 8.7-10.7 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 2.4-3.0 2.9=100 HD2 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 2.3-3.0 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 20 100 20 - 4.1-8.3 HB2 LEU 98 - HG2 LYS 95 far 0 100 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 8.3-10.7 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 2.3-3.0 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 2.4-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 20 99 20 - 4.1-8.3 HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 2996 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 5.09 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 * HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 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: * HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 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 3.5-5.4 7316/3.0=49, 7317/3.0=49...(34) H LEU 96 + HG3 LYS 95 OK 100 100 100 100 4.6-5.2 7316/3.0=49, 7317/3.0=49...(33) H SER 99 + HG3 LYS 95 OK 66 88 90 83 5.6-8.3 2960/3.9=42...(11) H SER 99 + HG2 LYS 95 OK 35 89 50 78 6.9-8.3 2960/3.9=42, 2975/3.0=16...(9) H VAL 126 - HG2 LYS 95 far 0 90 0 - 8.0-9.8 H VAL 126 - HG3 LYS 95 far 0 90 0 - 8.3-10.3 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 2.8-4.3 4.6=98, 7299/3.0=40...(35) H LYS 95 + HG2 LYS 95 OK 100 100 100 100 1.9-4.4 4.6=98, 7299/3.0=40...(36) H GLN 101 - HG3 LYS 95 far 0 65 0 - 9.3-11.6 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 2.2-3.9 3.9=100 HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.9-3.6 3.9=100 HA ALA 92 + HG2 LYS 95 OK 57 62 100 91 2.2-5.0 ~9948=38, 3033/3.7=21...(19) HA ALA 92 - HG3 LYS 95 poor 13 63 20 - 2.7-5.6 HA LEU 96 - HG2 LYS 95 far 0 78 0 - 5.9-6.6 HB3 SER 99 - HG3 LYS 95 far 0 93 0 - 6.0-10.4 HA LEU 96 - HG3 LYS 95 far 0 78 0 - 6.1-6.5 HB3 SER 99 - HG2 LYS 95 far 0 93 0 - 6.9-10.5 HB2 SER 124 - HG2 LYS 95 far 0 73 0 - 7.4-9.6 HB2 SER 124 - HG3 LYS 95 far 0 73 0 - 7.8-10.3 HB3 SER 124 - HG2 LYS 95 far 0 97 0 - 9.1-11.3 HB3 SER 124 - HG3 LYS 95 far 0 97 0 - 9.4-11.8 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 8 assignments used, quality = 1.00: * HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 8.7-10.7 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 8 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 2.5-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 96 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 97 0 - 8.7-10.7 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 2.2-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 20 100 20 - 4.1-8.3 HB2 LEU 98 - HG2 LYS 95 far 0 100 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 8.3-10.7 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 2.3-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.4-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 20 99 20 - 4.1-8.3 HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 8.3-10.7 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: HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 * HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 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: * HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 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 4.6-5.2 7316/3.0=49, 7317/3.0=49...(33) H LEU 96 + HG2 LYS 95 OK 100 100 100 100 3.5-5.4 7316/3.0=49, 7317/3.0=49...(34) H SER 99 + HG3 LYS 95 OK 66 89 90 83 5.6-8.3 2960/3.9=42...(11) H SER 99 + HG2 LYS 95 OK 34 88 50 78 6.9-8.3 2960/3.9=42, 2975/3.0=16...(9) H VAL 126 - HG2 LYS 95 far 0 90 0 - 8.0-9.8 H VAL 126 - HG3 LYS 95 far 0 90 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (7.71, 1.65, 29.32 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.0-4.6 5.5=75, 7304/1.8=48...(49) H LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.1-4.5 5.5=75, 7303/1.8=48...(49) H GLN 101 - HD2 LYS 95 far 0 65 0 - 9.8-12.3 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 2.3-4.7 5.0=73, 2.9/7303=37...(29) HA LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-4.7 5.0=73, 2.9/7303=37...(29) HA ALA 92 + HD2 LYS 95 OK 49 63 80 97 2.1-5.7 ~9950=40, 3044/3.0=28...(23) HA ALA 92 + HD3 LYS 95 OK 41 60 70 97 2.0-5.6 ~9950=40, 3044/3.0=28...(23) HA LEU 96 - HD2 LYS 95 far 0 78 0 - 6.5-7.8 HA LEU 96 - HD3 LYS 95 far 0 75 0 - 6.5-7.6 HB2 SER 124 - HD2 LYS 95 far 0 73 0 - 7.3-11.9 HB3 SER 99 - HD2 LYS 95 far 0 93 0 - 7.5-11.3 HB3 SER 99 - HD3 LYS 95 far 0 91 0 - 7.6-10.9 HB2 SER 124 - HD3 LYS 95 far 0 70 0 - 8.0-12.0 HB3 SER 124 - HD2 LYS 95 far 0 97 0 - 9.0-13.6 HB3 SER 124 - HD3 LYS 95 far 0 95 0 - 9.7-13.5 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 8 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.9 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 3.1-4.1 3.7=100 HB2 ARG 90 - HD2 LYS 95 far 0 73 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 93 0 - 6.4-10.2 HB3 ARG 90 - HD3 LYS 95 far 0 91 0 - 6.7-9.9 HB2 ARG 90 - HD3 LYS 95 far 0 70 0 - 6.9-10.1 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 8 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 3.1-4.1 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.9 3.7=100 HB2 ARG 90 - HD2 LYS 95 far 0 65 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 97 0 - 6.4-10.2 HB3 ARG 90 - HD3 LYS 95 far 0 94 0 - 6.7-9.9 HB2 ARG 90 - HD3 LYS 95 far 0 63 0 - 6.9-10.1 Violated in 0 structures by 0.00 A. Peak 3014 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 6.72 A): 6 out of 8 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 95 + HD2 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 2.3-3.0 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 OK 27 97 40 70 7.2-8.7 3.8/7320=35, 4.4/9997=22...(9) HB2 LEU 96 + HD2 LYS 95 OK 21 99 30 70 6.2-9.0 3.8/7320=35, 4.4/9997=20...(9) HG LEU 96 - HD2 LYS 95 poor 17 97 30 57 7.3-9.0 5.0/7320=30, 7301/5.5=13...(7) HG LEU 96 - HD3 LYS 95 poor 14 95 25 58 7.1-9.4 5.0/7320=30, 7301/5.5=13...(7) Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 6.59 A): 5 out of 8 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 20 98 30 69 7.2-8.7 3.8/7320=34, 4.4/9997=21...(9) HB2 LEU 96 - HD2 LYS 95 poor 20 100 20 - 6.2-9.0 HG LEU 96 - HD2 LYS 95 poor 19 96 20 - 7.3-9.0 HG LEU 96 - HD3 LYS 95 far 14 93 15 - 7.1-9.4 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 2.3-3.0 3.0=100 * HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 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 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (8.27, 1.65, 29.32 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H LEU 96 + HD2 LYS 95 OK 100 100 100 100 4.2-5.8 3.1/7303=50, 7316/3.7=48...(31) H LEU 96 + HD3 LYS 95 OK 99 99 100 100 4.2-5.7 3.1/7303=50, 7316/3.7=48...(31) H SER 99 + HD2 LYS 95 OK 49 89 70 79 6.6-9.0 2960/5.0=39, 3009/2.9=18...(10) H SER 99 + HD3 LYS 95 OK 37 86 55 79 6.7-8.5 2960/5.0=39, 3009/2.9=18...(10) H VAL 126 - HD3 LYS 95 far 0 87 0 - 8.2-11.4 H VAL 126 - HD2 LYS 95 far 0 90 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (7.71, 1.66, 29.32 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.1-4.5 5.5=75, 7303/1.8=48...(50) H LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.0-4.6 5.5=75, 7304/1.8=48...(49) H GLN 101 - HD2 LYS 95 far 0 63 0 - 9.8-12.3 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 2.3-4.7 5.0=73, 2.9/7304=37...(29) HA LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-4.7 5.0=73, 2.9/7304=37...(29) HA ALA 92 + HD2 LYS 95 OK 46 60 80 96 2.1-5.7 ~9950=40, 3044/3.0=28...(22) HA ALA 92 + HD3 LYS 95 OK 42 63 70 96 2.0-5.6 ~9950=40, 3044/3.0=28...(23) HA LEU 96 - HD2 LYS 95 far 0 75 0 - 6.5-7.8 HA LEU 96 - HD3 LYS 95 far 0 78 0 - 6.5-7.6 HB2 SER 124 - HD2 LYS 95 far 0 70 0 - 7.3-11.9 HB3 SER 99 - HD2 LYS 95 far 0 91 0 - 7.5-11.3 HB3 SER 99 - HD3 LYS 95 far 0 93 0 - 7.6-10.9 HB2 SER 124 - HD3 LYS 95 far 0 73 0 - 8.0-12.0 HB3 SER 124 - HD2 LYS 95 far 0 95 0 - 9.0-13.6 HB3 SER 124 - HD3 LYS 95 far 0 97 0 - 9.7-13.5 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 8 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-3.6 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 ARG 90 - HD2 LYS 95 far 0 70 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 91 0 - 6.4-10.2 HB3 ARG 90 - HD3 LYS 95 far 0 93 0 - 6.7-9.9 HB2 ARG 90 - HD3 LYS 95 far 0 73 0 - 6.9-10.1 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 8 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-3.6 3.7=100 HB2 ARG 90 - HD2 LYS 95 far 0 63 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 94 0 - 6.4-10.2 HB3 ARG 90 - HD3 LYS 95 far 0 97 0 - 6.7-9.9 HB2 ARG 90 - HD3 LYS 95 far 0 65 0 - 6.9-10.1 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 6.80 A): 6 out of 8 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 32 99 45 71 7.2-8.7 3.8/7321=36, 4.4/9997=24...(9) HB2 LEU 96 + HD2 LYS 95 OK 31 97 45 71 6.2-9.0 3.8/7321=36, 4.4/9997=21...(9) HG LEU 96 - HD2 LYS 95 poor 19 95 35 57 7.3-9.0 5.0/7321=31, 7301/5.5=13...(7) HG LEU 96 - HD3 LYS 95 poor 17 97 30 58 7.1-9.4 5.0/7321=31, 7301/5.5=13...(7) Violated in 0 structures by 0.00 A. Peak 3026 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 6.76 A): 6 out of 8 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 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 28 100 40 71 7.2-8.7 3.8/7321=36, 4.4/9997=23...(9) HB2 LEU 96 + HD2 LYS 95 OK 28 98 40 70 6.2-9.0 3.8/7321=35, 4.4/9997=21...(9) HG LEU 96 - HD2 LYS 95 poor 18 93 35 56 7.3-9.0 5.0/7321=30, 7301/5.5=13...(7) HG LEU 96 - HD3 LYS 95 poor 14 96 25 57 7.1-9.4 5.0/7321=30, 7301/5.5=13...(7) 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: * HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 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: HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 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): 4 out of 6 assignments used, quality = 1.00: * H LEU 96 + HD3 LYS 95 OK 100 100 100 100 4.2-5.7 3.1/7304=50, 7316/3.7=48...(31) H LEU 96 + HD2 LYS 95 OK 99 99 100 100 4.2-5.8 3.1/7304=50, 7316/3.7=48...(31) H SER 99 + HD2 LYS 95 OK 48 86 70 79 6.6-9.0 2960/5.0=39, 3009/2.9=18...(10) H SER 99 + HD3 LYS 95 OK 39 89 55 79 6.7-8.5 2960/5.0=39, 3009/2.9=18...(10) H VAL 126 - HD3 LYS 95 far 0 90 0 - 8.2-11.4 H VAL 126 - HD2 LYS 95 far 0 87 0 - 8.6-11.2 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 4.2-5.3 7304/3.0=42, 7303/3.0=42...(37) H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.2-5.4 7304/3.0=42, 7303/3.0=42...(37) 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 11 assignments used, quality = 0.57: HA ALA 92 + HE3 LYS 95 OK 41 63 70 92 2.7-5.8 2.1/9950=52...(21) HA ALA 92 + HE2 LYS 95 OK 28 63 50 89 2.6-6.1 ~9950=39, ~11351=21...(20) ! HA LYS 95 - HE2 LYS 95 poor 19 100 20 95 4.4-5.7 6.4=23, 2.9/3032=20...(23) HA LYS 95 - HE3 LYS 95 poor 19 100 20 95 4.6-5.9 6.4=23, 2.9/3032=20...(22) HA LEU 96 - HE3 LYS 95 far 0 78 0 - 6.9-9.0 HB2 SER 124 - HE3 LYS 95 far 0 73 0 - 7.7-12.3 HA LEU 96 - HE2 LYS 95 far 0 78 0 - 8.1-9.0 HB3 SER 99 - HE3 LYS 95 far 0 93 0 - 9.0-12.8 HB2 SER 124 - HE2 LYS 95 far 0 73 0 - 9.3-12.3 HB3 SER 124 - HE3 LYS 95 far 0 97 0 - 9.4-14.0 HB3 SER 99 - HE2 LYS 95 far 0 93 0 - 9.6-13.0 Violated in 10 structures by 0.17 A. Peak 3034 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 4.40 A): 4 out of 8 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.6-4.8 5.3=57, 9948/9950=37...(23) HB3 LYS 95 + HE3 LYS 95 OK 93 100 95 98 3.4-5.5 5.3=57, 3.0/3044=28...(22) * HB2 LYS 95 + HE2 LYS 95 OK 88 100 90 98 3.5-5.5 5.3=57, 3.0/3033=30...(22) HB3 LYS 95 + HE2 LYS 95 OK 54 100 55 98 4.5-5.5 5.3=57, 3.0/3033=30...(21) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.6-4.8 5.3=57, 9948/9950=40...(23) HB3 LYS 95 + HE3 LYS 95 OK 93 100 95 98 3.4-5.5 5.3=57, 3.0/3044=28...(22) HB2 LYS 95 + HE2 LYS 95 OK 88 100 90 98 3.5-5.5 5.3=57, 3.0/3033=30...(22) * HB3 LYS 95 + HE2 LYS 95 OK 54 100 55 98 4.5-5.5 5.3=57, 3.0/3033=30...(21) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 * HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 97 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 97 0 - 9.0-10.6 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 8 assignments used, quality = 1.00: HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 * HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 9.0-10.6 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 2.3-3.0 3.0=100 * HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 100 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 100 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 99 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 99 0 - 7.3-9.7 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 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 99 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.3-9.7 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 6 assignments used, quality = 1.00: * H LEU 96 + HE2 LYS 95 OK 100 100 100 100 6.1-7.1 3.6/3033=48, 3.1/3032=47...(16) H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.3-7.1 3.1/3032=47, 3.6/3044=46...(16) H VAL 126 - HE3 LYS 95 far 0 90 0 - 8.4-12.2 H SER 99 - HE3 LYS 95 far 0 89 0 - 8.7-10.4 H SER 99 - HE2 LYS 95 far 0 89 0 - 9.0-10.4 H VAL 126 - HE2 LYS 95 far 0 90 0 - 9.8-12.1 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 4.2-5.3 7304/3.0=42, 7303/3.0=42...(37) * H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.2-5.4 7304/3.0=42, 7303/3.0=42...(37) 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 11 assignments used, quality = 0.57: HA ALA 92 + HE3 LYS 95 OK 41 63 70 92 2.7-5.8 2.1/9950=52...(21) HA ALA 92 + HE2 LYS 95 OK 28 63 50 89 2.6-6.1 ~9950=39, ~11351=21...(20) HA LYS 95 - HE2 LYS 95 poor 19 100 20 95 4.4-5.7 6.4=23, 2.9/3032=20...(23) ! HA LYS 95 - HE3 LYS 95 poor 19 100 20 95 4.6-5.9 6.4=23, 2.9/3032=20...(22) HA LEU 96 - HE3 LYS 95 far 0 78 0 - 6.9-9.0 HB2 SER 124 - HE3 LYS 95 far 0 73 0 - 7.7-12.3 HA LEU 96 - HE2 LYS 95 far 0 78 0 - 8.1-9.0 HB3 SER 99 - HE3 LYS 95 far 0 93 0 - 9.0-12.8 HB2 SER 124 - HE2 LYS 95 far 0 73 0 - 9.3-12.3 HB3 SER 124 - HE3 LYS 95 far 0 97 0 - 9.4-14.0 HB3 SER 99 - HE2 LYS 95 far 0 93 0 - 9.6-13.0 Violated in 10 structures by 0.17 A. Peak 3045 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 4.40 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.6-4.8 5.3=57, 9948/9950=37...(23) HB3 LYS 95 + HE3 LYS 95 OK 93 100 95 98 3.4-5.5 5.3=57, 3.0/3044=28...(22) HB2 LYS 95 + HE2 LYS 95 OK 88 100 90 98 3.5-5.5 5.3=57, 3.0/3033=30...(22) HB3 LYS 95 + HE2 LYS 95 OK 54 100 55 98 4.5-5.5 5.3=57, 3.0/3033=30...(21) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.6-4.8 5.3=57, 9948/9950=40...(23) * HB3 LYS 95 + HE3 LYS 95 OK 93 100 95 98 3.4-5.5 5.3=57, 3.0/3044=28...(22) HB2 LYS 95 + HE2 LYS 95 OK 88 100 90 98 3.5-5.5 5.3=57, 3.0/3033=30...(22) HB3 LYS 95 + HE2 LYS 95 OK 54 100 55 98 4.5-5.5 5.3=57, 3.0/3033=30...(21) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: * HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 97 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 97 0 - 9.0-10.6 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 8 assignments used, quality = 1.00: * HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 9.0-10.6 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 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 100 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 100 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 99 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 99 0 - 7.3-9.7 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 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 99 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.3-9.7 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 6 assignments used, quality = 1.00: H LEU 96 + HE2 LYS 95 OK 100 100 100 100 6.1-7.1 3.6/3033=48, 3.1/3032=47...(16) * H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.3-7.1 3.1/3032=47, 3.6/3044=46...(16) H VAL 126 - HE3 LYS 95 far 0 90 0 - 8.4-12.2 H SER 99 - HE3 LYS 95 far 0 89 0 - 8.7-10.4 H SER 99 - HE2 LYS 95 far 0 89 0 - 9.0-10.4 H VAL 126 - HE2 LYS 95 far 0 90 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.27, 4.04, 58.64 ppm; 5.56 A): 9 out of 19 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 4.2-5.4 4.0/11689=67...(23) H SER 99 + HA LEU 96 OK 88 89 100 100 3.5-4.2 3.4/7388=43, 3.7/3208=40...(27) H LEU 96 + HA LEU 122 OK 88 89 100 99 4.8-6.1 4.6/3100=25, 3.8/3067=24...(35) 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 3.2-4.2 4.0/11604=66...(22) H LEU 43 + HA GLU 44 OK 73 73 100 99 5.2-5.5 6535/3.6=76...(11) H SER 99 + HA LEU 122 OK 72 74 100 97 4.2-6.1 3.7/3214=48, 3.7/3208=46...(19) H LEU 123 + HA LEU 96 OK 44 92 65 73 5.6-7.0 4.3/3868=21, 3.3/3855=21...(10) H LEU 49 - HA GLU 44 far 4 45 10 - 6.2-7.6 H SER 99 - HA GLU 102 far 0 60 0 - 6.8-8.1 H GLU 40 - HA GLU 44 far 0 80 0 - 7.8-8.5 H LEU 49 - HA LEU 122 far 0 50 0 - 8.6-11.9 H LEU 69 - HA LEU 122 far 0 59 0 - 8.7-11.6 H LEU 69 - HA LEU 96 far 0 73 0 - 9.0-10.9 H GLY 111 - HA GLU 102 far 0 40 0 - 9.1-15.7 H ALA 110 - HA GLU 102 far 0 44 0 - 9.4-15.2 H LEU 69 - HA GLU 44 far 0 53 0 - 9.6-11.1 H ASP 131 - HA GLU 44 far 0 81 0 - 9.8-11.5 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): 8 out of 19 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 95 + HA LEU 96 OK 98 100 100 99 6.1-6.5 ~7316=28, ~7317=28...(31) HG2 LYS 95 + HA LEU 96 OK 98 99 100 99 5.9-6.6 ~7316=28, ~7317=28...(31) HB2 LEU 96 + HA LEU 122 OK 89 89 100 100 2.7-5.1 3067=33, 3.2/3100=31...(47) HG LEU 96 + HA LEU 96 OK 89 89 100 100 3.5-3.7 3.7=100 HB3 LEU 100 + HA LEU 96 OK 79 100 80 99 4.9-7.9 3.2/11488=81...(19) HG LEU 96 + HA LEU 122 OK 72 74 100 98 5.0-6.6 2.1/3092=33, 2.1/3100=32...(25) HB3 LEU 100 + HA LEU 122 OK 49 89 55 99 5.2-8.0 10337/3.9=42...(28) QB ALA 108 - HA GLU 102 far 7 74 10 - 4.3-9.4 QB ALA 110 - HA GLU 102 far 4 75 5 - 6.4-14.3 HB3 LEU 100 - HA GLU 102 far 0 75 0 - 7.2-7.9 HB2 LEU 42 - HA GLU 44 far 0 82 0 - 7.2-7.7 HG3 LYS 95 - HA LEU 122 far 0 88 0 - 7.3-9.4 HG2 LYS 95 - HA LEU 122 far 0 87 0 - 7.3-9.5 QB ALA 109 - HA GLU 102 far 0 71 0 - 7.4-11.3 QB ALA 108 - HA LEU 122 far 0 88 0 - 9.0-16.4 QB ALA 12 - HA GLU 102 far 0 53 0 - 9.4-43.5 HG2 LYS 36 - HA GLU 44 far 0 82 0 - 9.5-14.6 QB ALA 108 - HA LEU 96 far 0 100 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (2.23, 4.04, 58.64 ppm; 4.30 A): 5 out of 20 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 83 89 95 98 3.1-5.4 3.2/3100=24...(46) HB3 GLU 102 + HA GLU 102 OK 72 72 100 100 2.4-3.0 3.0=100 HB VAL 105 + HA GLU 102 OK 38 38 100 100 4.0-5.0 2.1/10086=95...(12) HB2 GLN 101 + HA GLU 102 OK 32 36 90 99 4.5-5.7 ~7449=49, ~3304=45...(24) HB3 GLN 104 - HA GLU 102 far 0 65 0 - 5.8-7.6 HB3 GLU 97 - HA LEU 96 far 0 83 0 - 5.8-6.6 HB3 GLN 127 - HA LEU 122 far 0 84 0 - 7.2-9.8 HB3 GLU 128 - HA LEU 122 far 0 83 0 - 7.8-10.3 HB3 GLU 128 - HA LEU 96 far 0 97 0 - 7.8-10.0 HB3 GLU 97 - HA LEU 122 far 0 68 0 - 7.9-9.4 HB3 GLU 102 - HA LEU 122 far 0 87 0 - 8.1-12.0 HB3 GLU 102 - HA LEU 96 far 0 99 0 - 8.3-11.5 HB3 GLN 127 - HA LEU 96 far 0 97 0 - 8.4-10.8 HB3 GLU 97 - HA GLU 102 far 0 55 0 - 8.6-11.2 HG2 GLN 68 - HA GLU 44 far 0 81 0 - 9.1-11.8 HB2 GLN 68 - HA GLU 44 far 0 67 0 - 9.2-11.7 HB2 GLN 101 - HA LEU 96 far 0 57 0 - 9.4-10.4 HG2 GLU 91 - HA LEU 96 far 0 98 0 - 9.5-10.8 HG2 GLN 68 - HA LEU 122 far 0 88 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.40, 4.04, 58.64 ppm; 6.80 A): 10 out of 18 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 100 100 3.5-3.7 3.7=100 HG2 LYS 95 + HA LEU 96 OK 97 97 100 100 5.9-6.6 ~7316=37, ~7317=37...(31) HG3 LYS 95 + HA LEU 96 OK 95 96 100 100 6.1-6.5 ~7316=37, ~7317=37...(31) HB2 LEU 96 + HA LEU 96 OK 89 89 100 100 2.2-2.9 3.0=100 HG LEU 96 + HA LEU 122 OK 89 89 100 99 5.0-6.6 11827/3994=45...(25) HB3 LEU 100 + HA LEU 96 OK 82 87 95 100 4.9-7.9 3.2/11488=90...(19) HB2 LEU 96 + HA LEU 122 OK 74 74 100 100 2.7-5.1 3.2/3092=33, 3.2/3100=32...(47) HB3 LEU 100 + HA LEU 122 OK 61 72 85 100 5.2-8.0 10337/3.9=46...(28) HB2 LEU 42 + HA GLU 44 OK 57 63 100 89 7.2-7.7 11903/11898=69, ~9077=60 HB3 LEU 100 + HA GLU 102 OK 45 59 80 97 7.2-7.9 10048/4.8=78, ~7445=74...(4) HG3 LYS 95 - HA LEU 122 poor 16 82 20 - 7.3-9.4 QB ALA 108 - HA GLU 102 far 10 66 15 - 4.3-9.4 HG2 LYS 95 - HA LEU 122 poor 10 84 25 46 7.3-9.5 11448/3994=36...(5) QB ALA 109 - HA GLU 102 far 4 71 5 - 7.4-11.3 QB ALA 110 - HA GLU 102 far 3 63 5 - 6.4-14.3 QB ALA 108 - HA LEU 122 far 0 80 0 - 9.0-16.4 HG2 LYS 36 - HA GLU 44 far 0 67 0 - 9.5-14.6 QB ALA 108 - HA LEU 96 far 0 95 0 - 9.6-17.1 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 4.0-4.1 4.0=100 QG1 VAL 93 + HA LEU 96 OK 100 100 100 100 5.7-6.2 9974/3.7=87...(29) QD2 LEU 96 + HA LEU 122 OK 87 89 100 98 4.9-6.0 9989/3994=36, 3092=33...(22) QD2 LEU 43 + HA GLU 44 OK 80 80 100 100 5.4-5.9 11900=98, 1390/2.8=88...(13) QD1 LEU 96 + HA LEU 96 OK 76 76 100 100 2.7-3.4 4.0=100 QD1 LEU 96 + HA LEU 122 OK 58 62 100 95 2.8-4.5 2.1/3092=32...(21) QD2 LEU 103 - HA GLU 102 poor 18 71 25 - 6.1-7.1 QD2 LEU 103 - HA LEU 122 poor 16 86 30 60 5.8-8.8 3386/3.0=19, ~11714=12...(14) HG12 ILE 129 - HA LEU 96 far 5 100 5 - 6.3-8.3 QD2 LEU 103 - HA LEU 96 far 5 99 5 - 6.3-9.5 HG12 ILE 129 - HA LEU 122 far 0 89 0 - 6.8-9.3 QG1 VAL 93 - HA LEU 122 far 0 89 0 - 7.6-8.5 QD1 LEU 96 - HA GLU 102 far 0 49 0 - 8.9-10.5 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 28 assignments used, quality = 1.00: * QD1 LEU 96 + HA LEU 96 OK 100 100 100 100 2.7-3.4 4.0=100 QD2 LEU 122 + HA LEU 96 OK 90 92 100 97 2.2-5.2 10337/3.0=26...(27) QD1 LEU 96 + HA LEU 122 OK 88 89 100 98 2.8-4.5 9987/3994=40...(25) QG1 VAL 93 + HA LEU 96 OK 78 78 100 100 5.7-6.2 ~11425=58, 9974/3.7=58...(29) QD2 LEU 122 + HA LEU 122 OK 77 77 100 100 1.8-4.1 3.9=100 QD2 LEU 96 + HA LEU 96 OK 76 76 100 100 4.0-4.1 4.0=100 QD2 LEU 43 + HA GLU 44 OK 67 67 100 100 5.4-5.9 11900=82, 2.1/11898=77...(13) QD2 LEU 96 + HA LEU 122 OK 59 62 100 96 4.9-6.0 2.1/3100=32, 3.2/3067=25...(22) QD1 LEU 103 + HA GLU 102 OK 52 70 75 99 4.6-6.7 3396/3.6=81...(11) QD1 LEU 53 + HA LEU 122 OK 33 64 65 79 4.1-8.5 3907/3.6=37, ~11749=27...(11) QD2 LEU 49 + HA LEU 122 OK 22 57 65 58 3.9-7.4 11676/11604=26...(9) QD2 LEU 49 - HA LEU 96 far 11 71 15 - 5.6-8.0 QD1 LEU 103 - HA LEU 122 far 8 84 10 - 6.0-8.9 HG12 ILE 129 - HA LEU 96 far 0 78 0 - 6.3-8.3 QD2 LEU 122 - HA GLU 102 far 0 63 0 - 6.5-10.6 QD1 LEU 53 - HA LEU 96 far 0 78 0 - 6.7-10.8 HG12 ILE 129 - HA LEU 122 far 0 64 0 - 6.8-9.3 QD2 LEU 119 - HA LEU 122 far 0 48 0 - 6.9-8.9 QG1 VAL 63 - HA GLU 102 far 0 69 0 - 7.0-7.9 QD1 LEU 103 - HA LEU 96 far 0 97 0 - 7.2-9.8 QD2 LEU 49 - HA GLU 44 far 0 51 0 - 7.3-9.6 QG1 VAL 93 - HA LEU 122 far 0 64 0 - 7.6-8.5 QD2 LEU 119 - HA GLU 102 far 0 38 0 - 8.0-12.1 QD2 LEU 119 - HA LEU 96 far 0 60 0 - 8.6-11.0 QG1 VAL 63 - HA LEU 96 far 0 97 0 - 8.8-10.8 QG1 VAL 63 - HA LEU 122 far 0 83 0 - 8.8-10.4 QD1 LEU 96 - HA GLU 102 far 0 75 0 - 8.9-10.5 QD1 LEU 53 - HA GLU 44 far 0 57 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (8.50, 4.04, 58.64 ppm; 5.22 A): 4 out of 8 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 99 3.7-5.1 7401/11488=56, 7388=51...(21) H LEU 100 + HA LEU 122 OK 79 80 100 99 4.3-6.1 10026/3.9=44, 7388=40...(28) H GLU 97 + HA LEU 122 OK 37 89 50 82 5.6-6.8 3098/3092=23, 7338=21...(14) H LEU 100 - HA GLU 102 far 0 66 0 - 6.5-7.2 H SER 9 - HA GLU 102 far 0 67 0 - 9.6-60.6 H GLU 97 - HA GLU 102 far 0 75 0 - 10.0-11.6 H HIS 5 - HA LEU 96 far 0 60 0 - 10.0-67.4 Violated in 0 structures by 0.00 A. Peak 3062 from cnoeabs.peaks (8.29, 4.04, 58.64 ppm; 4.65 A): 7 out of 17 assignments used, quality = 1.00: H VAL 126 + HA LEU 96 OK 99 100 100 99 4.2-5.4 4021/11689=60...(21) * H SER 99 + HA LEU 96 OK 98 100 100 98 3.5-4.2 7372=36, 7350/3.6=33...(26) H VAL 126 + HA LEU 122 OK 89 89 100 100 3.2-4.2 4021/10397=57...(22) H LEU 96 + HA LEU 96 OK 89 89 100 100 2.8-2.9 2.9=100 H LEU 43 + HA GLU 44 OK 79 81 100 97 5.2-5.5 6535/3.6=61...(11) H SER 99 + HA LEU 122 OK 58 89 70 93 4.2-6.1 3.7/3214=37, 3.7/3208=36...(19) H LEU 96 + HA LEU 122 OK 39 74 55 96 4.8-6.1 4.6/3100=19, 3.8/3067=18...(35) H LEU 49 - HA GLU 44 far 0 76 0 - 6.2-7.6 H SER 99 - HA GLU 102 far 0 75 0 - 6.8-8.1 H GLU 40 - HA GLU 44 far 0 76 0 - 7.8-8.5 H LEU 49 - HA LEU 122 far 0 83 0 - 8.6-11.9 H LEU 69 - HA LEU 122 far 0 87 0 - 8.7-11.6 H LEU 69 - HA LEU 96 far 0 99 0 - 9.0-10.9 H GLY 111 - HA GLU 102 far 0 69 0 - 9.1-15.7 H ALA 110 - HA GLU 102 far 0 71 0 - 9.4-15.2 H LEU 69 - HA GLU 44 far 0 80 0 - 9.6-11.1 H ASP 131 - HA GLU 44 far 0 60 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 3063 from cnoeabs.peaks (3.76, 4.04, 58.64 ppm; 5.87 A): 5 out of 9 assignments used, quality = 1.00: HA GLU 97 + HA LEU 96 OK 100 100 100 100 4.7-4.8 5.0=100 * HB2 SER 99 + HA LEU 96 OK 98 100 100 98 3.1-5.0 1.8/3214=49, 3208=48...(16) HB2 SER 99 + HA LEU 122 OK 89 89 100 100 2.1-5.0 1.8/3214=60...(28) HA LEU 43 + HA GLU 44 OK 57 57 100 100 4.8-4.9 4.9=100 HA GLU 97 + HA LEU 122 OK 49 89 75 74 5.9-7.2 11809/3092=26...(11) HB3 SER 130 - HA GLU 44 far 0 70 0 - 6.8-9.0 HB2 SER 99 - HA GLU 102 far 0 75 0 - 7.4-8.6 HA SER 130 - HA GLU 44 far 0 55 0 - 8.0-8.8 HA GLU 97 - HA GLU 102 far 0 74 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 3064 from cnoeabs.peaks (4.00, 4.04, 58.64 ppm; 4.35 A): 5 out of 20 assignments used, quality = 1.00: HA LYS 95 + HA LEU 96 OK 91 93 100 97 4.7-4.8 4.9=68, 11341/3.6=38...(22) HB3 SER 99 + HA LEU 122 OK 88 89 100 99 2.9-4.8 3214=60, 1.8/3208=47...(18) * HB3 SER 99 + HA LEU 96 OK 66 100 75 88 2.9-5.6 1.8/3208=40, 3214=40...(14) HA LEU 103 + HA GLU 102 OK 64 69 100 94 4.7-4.8 ~7469=33, ~7468=32...(12) HB3 SER 106 + HA GLU 102 OK 26 42 90 70 2.1-7.2 4.0/11781=29, ~11473=21...(11) HB2 SER 124 - HA LEU 122 far 0 84 0 - 5.3-7.1 HA LEU 119 - HA LEU 122 far 0 68 0 - 5.7-6.8 HB3 SER 124 - HA LEU 122 far 0 59 0 - 6.0-7.2 HA LYS 95 - HA LEU 122 far 0 79 0 - 6.4-8.4 HB2 SER 124 - HA LEU 96 far 0 97 0 - 6.6-8.5 HB3 SER 99 - HA GLU 102 far 0 75 0 - 6.8-8.4 HB3 SER 124 - HA LEU 96 far 0 73 0 - 7.8-9.1 HA SER 50 - HA LEU 122 far 0 85 0 - 7.9-10.2 HA LEU 119 - HA LEU 96 far 0 83 0 - 8.2-9.5 HB3 SER 51 - HA GLU 44 far 0 53 0 - 8.2-10.2 HA LEU 103 - HA LEU 122 far 0 83 0 - 8.7-11.0 HB2 SER 38 - HA GLU 44 far 0 78 0 - 9.3-11.2 HA GLU 91 - HA LEU 96 far 0 71 0 - 9.4-10.4 HA LEU 119 - HA GLU 102 far 0 55 0 - 9.7-12.2 HA LEU 103 - HA LEU 96 far 0 97 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3066 from cnoeabs.peaks (8.27, 1.38, 41.04 ppm; 4.83 A): 4 out of 12 assignments used, quality = 1.00: * H LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.0-3.5 3.8=100 H VAL 126 + HB2 LEU 96 OK 89 90 100 99 2.9-4.8 3099/3.2=39, ~11452=37...(18) H SER 99 + HB3 LEU 100 OK 60 71 85 100 4.2-6.2 3.4/7398=79...(27) H SER 99 + HB2 LEU 96 OK 26 89 30 98 5.4-6.4 7337/4.4=27, 3.4/3073=24...(26) H LEU 123 - HB2 LEU 96 far 5 92 5 - 5.7-7.9 H LEU 96 - HB3 LEU 100 far 0 87 0 - 6.5-9.0 H LEU 69 - HB3 LEU 100 far 0 57 0 - 7.2-8.7 H VAL 126 - HB3 LEU 100 far 0 73 0 - 7.4-10.5 H LEU 123 - HB3 LEU 100 far 0 75 0 - 7.5-10.5 H LEU 69 - HB2 LEU 96 far 0 73 0 - 7.5-9.1 H LEU 49 - HB2 LEU 96 far 0 63 0 - 9.2-12.1 H ASP 131 - HB2 LEU 96 far 0 100 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (4.04, 1.38, 41.04 ppm; 5.38 A): 5 out of 17 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HA LEU 122 + HB2 LEU 96 OK 98 99 100 100 2.7-5.1 3100/3.2=30, 3092/3.2=28...(48) HA LEU 96 + HB3 LEU 100 OK 59 87 70 98 4.9-7.9 11488/3.2=78...(19) HA LEU 122 + HB3 LEU 100 OK 41 83 50 98 5.2-8.0 3.9/10337=39...(28) HA ALA 92 + HB2 LEU 96 OK 39 99 40 98 4.8-7.2 11312/3.8=53...(15) HA LYS 95 - HB2 LEU 96 far 8 78 10 - 5.5-6.5 HA LEU 103 - HB3 LEU 100 far 0 55 0 - 6.7-8.9 HA GLU 102 - HB3 LEU 100 far 0 82 0 - 7.2-7.9 HA LYS 95 - HB3 LEU 100 far 0 61 0 - 7.6-10.1 HA LEU 119 - HB3 LEU 100 far 0 73 0 - 7.7-10.1 HB3 SER 124 - HB2 LEU 96 far 0 96 0 - 8.0-9.9 HB THR 65 - HB3 LEU 100 far 0 57 0 - 8.4-9.8 HA LEU 119 - HB2 LEU 96 far 0 90 0 - 8.6-11.1 HB2 SER 74 - HB3 LEU 100 far 0 53 0 - 9.2-12.7 HB2 SER 74 - HB2 LEU 96 far 0 68 0 - 9.2-13.5 HB THR 65 - HB2 LEU 96 far 0 73 0 - 9.6-11.6 HB3 SER 74 - HB3 LEU 100 far 0 50 0 - 9.9-13.9 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): 3 out of 14 assignments used, quality = 1.00: * HB3 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 97 + HB3 LEU 100 OK 65 65 100 100 4.0-5.6 ~3115=55, ~3115=52...(30) HB2 GLN 101 + HB3 LEU 100 OK 22 43 50 99 4.2-6.4 4.0/7412=62...(13) HB3 GLN 104 - HB3 LEU 100 poor 15 76 20 - 3.4-8.6 HB3 GLU 97 - HB2 LEU 96 far 8 83 10 - 5.2-7.4 HB3 LEU 96 - HB3 LEU 100 far 0 87 0 - 6.0-9.0 HB3 GLU 102 - HB3 LEU 100 far 0 84 0 - 6.5-8.8 HB3 GLU 128 - HB2 LEU 96 far 0 97 0 - 6.8-9.2 HB3 GLN 127 - HB2 LEU 96 far 0 97 0 - 7.3-10.2 HG2 GLU 91 - HB2 LEU 96 far 0 98 0 - 7.9-10.7 HG2 GLN 68 - HB3 LEU 100 far 0 85 0 - 8.7-11.3 HG2 GLN 68 - HB2 LEU 96 far 0 100 0 - 8.9-13.2 HB2 GLN 68 - HB3 LEU 100 far 0 71 0 - 9.3-11.6 HB VAL 105 - HB3 LEU 100 far 0 46 0 - 9.4-11.2 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): 6 out of 11 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.8 3.2=100 QD1 LEU 96 + HB2 LEU 96 OK 76 76 100 100 2.0-3.2 3.2=100 HG12 ILE 129 + HB2 LEU 96 OK 74 100 75 99 4.4-6.9 ~11454=39, ~10492=38...(21) QD1 LEU 96 + HB3 LEU 100 OK 55 59 100 93 2.3-4.9 ~11918=32, ~11826=19...(28) QD2 LEU 103 + HB3 LEU 100 OK 37 83 45 98 4.2-7.1 11832/9398=39, ~3370=20...(38) QG1 VAL 93 + HB2 LEU 96 OK 25 100 25 100 3.8-5.7 9974/3.0=71...(34) QD2 LEU 96 - HB3 LEU 100 far 9 87 10 - 4.9-7.2 QG1 VAL 93 - HB3 LEU 100 far 0 87 0 - 6.1-8.2 QD2 LEU 103 - HB2 LEU 96 far 0 99 0 - 7.2-11.0 HG12 ILE 129 - HB3 LEU 100 far 0 87 0 - 9.5-12.3 QD2 LEU 43 - HB2 LEU 96 far 0 99 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (0.77, 1.38, 41.04 ppm; 4.43 A): 8 out of 21 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 96 + HB3 LEU 100 OK 85 87 100 98 2.3-4.9 ~11918=35, 11388/3.2=28...(32) QD2 LEU 96 + HB2 LEU 96 OK 76 76 100 100 2.2-2.8 3.2=100 QD2 LEU 122 + HB3 LEU 100 OK 67 75 90 100 3.3-6.4 10337=42, 3903/3.0=27...(52) QD2 LEU 122 + HB2 LEU 96 OK 63 92 70 97 2.0-6.5 10337=27, 3.9/3067=23...(49) HG12 ILE 129 + HB2 LEU 96 OK 58 78 75 99 4.4-6.9 ~11454=42, ~10492=41...(21) QG1 VAL 63 + HB3 LEU 100 OK 44 80 55 100 3.2-6.8 10964=93, 10974/3.2=72...(23) QG1 VAL 93 + HB2 LEU 96 OK 27 78 35 100 3.8-5.7 9974/3.0=51, 3.2/3065=42...(34) QD2 LEU 96 - HB3 LEU 100 poor 15 59 25 - 4.9-7.2 QD1 LEU 103 - HB3 LEU 100 far 8 81 10 - 4.3-6.9 QD2 LEU 49 - HB2 LEU 96 lone 4 71 40 14 4.6-6.9 10407/11690=6...(3) QD2 LEU 49 - HB3 LEU 100 far 3 55 5 - 5.3-7.6 QD1 LEU 53 - HB2 LEU 96 far 0 78 0 - 6.0-10.3 QG1 VAL 93 - HB3 LEU 100 far 0 61 0 - 6.1-8.2 QD1 LEU 53 - HB3 LEU 100 far 0 61 0 - 7.5-12.3 QD2 LEU 119 - HB3 LEU 100 far 0 46 0 - 7.8-10.9 QD1 LEU 103 - HB2 LEU 96 far 0 97 0 - 8.1-10.3 QD2 LEU 119 - HB2 LEU 96 far 0 60 0 - 9.0-12.1 QG1 VAL 63 - HB2 LEU 96 far 0 97 0 - 9.1-10.8 HG12 ILE 129 - HB3 LEU 100 far 0 61 0 - 9.5-12.3 QD2 LEU 43 - HB2 LEU 96 far 0 89 0 - 9.6-10.8 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 3.1-4.3 4.4=100 H LEU 100 + HB2 LEU 96 OK 94 95 100 100 5.1-6.6 7388/3.0=50, 3106/3.2=47...(30) H GLU 97 + HB3 LEU 100 OK 87 87 100 100 4.5-6.8 ~3115=94, ~3115=91...(32) H LEU 100 + HB3 LEU 100 OK 78 78 100 100 2.1-3.5 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 2.2-3.9 11806/3.2=96...(39) 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 6 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-3.2 3.8=100 H VAL 126 + HB3 LEU 96 OK 90 90 100 100 3.1-4.9 4.7/11655=54...(21) H SER 99 - HB3 LEU 96 poor 18 89 20 - 5.8-6.4 H LEU 123 - HB3 LEU 96 far 5 92 5 - 5.8-8.3 H LEU 69 - HB3 LEU 96 far 0 73 0 - 7.7-10.0 H ASP 131 - HB3 LEU 96 far 0 100 0 - 9.5-10.2 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 8 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HA ALA 92 + HB3 LEU 96 OK 99 99 100 100 4.7-5.8 11312/3.8=79...(18) HA LEU 122 + HB3 LEU 96 OK 99 99 100 100 3.1-5.4 3994/11659=46...(47) HA LYS 95 + HB3 LEU 96 OK 78 78 100 100 5.5-6.3 2.9/9975=91...(30) HB3 SER 124 - HB3 LEU 96 far 0 96 0 - 7.8-9.9 HB2 SER 74 - HB3 LEU 96 far 0 68 0 - 8.7-12.5 HA LEU 119 - HB3 LEU 96 far 0 90 0 - 9.2-11.6 HB THR 65 - HB3 LEU 96 far 0 73 0 - 9.8-12.4 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 5 assignments used, quality = 1.00: * HB2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB3 LEU 96 OK 89 89 100 100 2.5-3.0 3.0=100 HG2 LYS 95 - HB3 LEU 96 far 5 99 5 - 5.1-7.6 HB3 LEU 100 - HB3 LEU 96 far 0 100 0 - 6.0-9.0 HG3 LYS 95 - HB3 LEU 96 far 0 100 0 - 6.1-7.7 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 5 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 96 + HB3 LEU 96 OK 89 89 100 100 1.8-1.8 1.8=100 HG2 LYS 95 - HB3 LEU 96 far 10 97 10 - 5.1-7.6 HB3 LEU 100 - HB3 LEU 96 far 9 87 10 - 6.0-9.0 HG3 LYS 95 - HB3 LEU 96 far 5 96 5 - 6.1-7.7 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 1.9-2.5 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 100 100 100 100 3.7-5.2 9974/3.0=77...(31) HG12 ILE 129 + HB3 LEU 96 OK 79 100 80 99 4.2-6.4 2.1/10492=59...(22) QD1 LEU 96 + HB3 LEU 96 OK 76 76 100 100 2.1-3.2 3.2=100 QD2 LEU 103 - HB3 LEU 96 far 0 99 0 - 8.2-11.2 QD2 LEU 43 - HB3 LEU 96 far 0 99 0 - 9.6-10.6 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 10 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 78 78 100 100 3.7-5.2 9974/3.0=61, 2.1/9971=58...(31) QD2 LEU 96 + HB3 LEU 96 OK 76 76 100 100 1.9-2.5 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 74 78 95 100 4.2-6.4 2.1/11454=73...(22) QD2 LEU 122 + HB3 LEU 96 OK 68 92 75 99 3.4-7.0 10337/1.8=27...(48) QD2 LEU 49 - HB3 LEU 96 poor 14 71 20 - 5.3-8.3 QD1 LEU 53 - HB3 LEU 96 far 0 78 0 - 6.3-11.4 QD1 LEU 103 - HB3 LEU 96 far 0 97 0 - 8.2-11.4 QD2 LEU 43 - HB3 LEU 96 far 0 89 0 - 9.6-10.6 QG1 VAL 63 - HB3 LEU 96 far 0 97 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (8.50, 2.23, 41.04 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 100 100 3.0-4.3 4.4=100 H LEU 100 + HB3 LEU 96 OK 94 95 100 99 5.9-7.0 7388/3.0=49, 3106/3.2=46...(28) H VAL 132 - HB3 LEU 96 far 0 63 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (8.27, 1.40, 27.00 ppm; 4.75 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 96 + HG LEU 96 OK 100 100 100 100 3.1-3.9 5.0=85, ~3092=55...(27) H SER 99 + HG LEU 96 OK 29 89 35 93 5.1-6.1 3.4/3090=24...(20) H VAL 126 - HG LEU 96 far 0 90 0 - 5.7-6.3 H LEU 69 - HG LEU 96 far 0 73 0 - 5.9-8.6 H LEU 123 - HG LEU 96 far 0 92 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (4.04, 1.40, 27.00 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 100 100 3.5-3.7 3.7=100 HA LEU 122 + HG LEU 96 OK 32 99 35 93 5.0-6.6 3100/2.1=29, 3092/2.1=25...(25) HA LYS 95 - HG LEU 96 far 0 78 0 - 6.0-6.6 HA ALA 92 - HG LEU 96 far 0 99 0 - 6.9-7.8 HB2 SER 74 - HG LEU 96 far 0 68 0 - 7.2-10.9 HB3 SER 74 - HG LEU 96 far 0 65 0 - 8.1-11.9 HB THR 65 - HG LEU 96 far 0 73 0 - 9.1-11.4 HA LEU 119 - HG LEU 96 far 0 90 0 - 9.9-11.8 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 9 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 97 + HG LEU 96 OK 83 83 100 100 3.3-4.9 1.8/11461=79, ~11809=50...(40) HG2 GLN 68 - HG LEU 96 far 0 100 0 - 7.9-12.0 HB2 GLN 101 - HG LEU 96 far 0 57 0 - 8.3-10.2 HB3 GLU 128 - HG LEU 96 far 0 97 0 - 8.8-11.1 HB2 GLN 68 - HG LEU 96 far 0 89 0 - 9.2-11.9 HB3 GLN 104 - HG LEU 96 far 0 93 0 - 9.8-14.3 HB3 GLU 102 - HG LEU 96 far 0 99 0 - 9.8-13.0 HG2 GLU 91 - HG LEU 96 far 0 98 0 - 9.9-10.9 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 2.8-3.9 9974=52, 11432/5.0=22...(38) 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 - 5.8-7.5 QD2 LEU 103 - HG LEU 96 far 0 99 0 - 7.0-10.4 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 2.8-3.9 9974=45, ~11806=30...(37) 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 43 92 55 86 3.7-6.7 10337=20, 10337/3.0=18...(27) QD2 LEU 49 - HG LEU 96 far 0 71 0 - 5.0-8.4 HG12 ILE 129 - HG LEU 96 far 0 78 0 - 5.8-7.5 QD1 LEU 103 - HG LEU 96 far 0 97 0 - 7.3-10.4 QD1 LEU 53 - HG LEU 96 far 0 78 0 - 7.4-12.6 QG1 VAL 63 - HG LEU 96 far 0 97 0 - 7.7-10.2 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 2.2-2.9 3098/2.1=98, 7330/5.0=73...(31) H LEU 100 + HG LEU 96 OK 94 95 100 99 4.9-5.7 7401/11918=61...(23) 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 3.3-4.0 2.9/3092=73...(27) H VAL 126 + QD2 LEU 96 OK 90 90 100 99 3.9-4.8 2.9/11807=54...(25) H LEU 69 + QD2 LEU 96 OK 35 73 50 96 4.3-6.4 3.7/11805=64, ~11710=32...(12) H SER 99 - QD2 LEU 96 far 0 89 0 - 6.2-6.9 H LEU 123 - QD2 LEU 96 far 0 92 0 - 6.7-8.1 H ASP 131 - QD2 LEU 96 far 0 100 0 - 7.3-8.1 H LEU 49 - QD2 LEU 96 far 0 63 0 - 7.4-8.9 H LEU 43 - QD2 LEU 96 far 0 95 0 - 8.8-9.5 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 10 assignments used, quality = 1.00: * HA LEU 96 + QD2 LEU 96 OK 100 100 100 100 4.0-4.1 4.0=100 HA LEU 122 + QD2 LEU 96 OK 50 99 55 91 4.9-6.0 3100/2.1=29...(22) HA ALA 92 - QD2 LEU 96 far 0 99 0 - 5.2-6.3 HB2 SER 74 - QD2 LEU 96 far 0 68 0 - 5.9-8.7 HA LYS 95 - QD2 LEU 96 far 0 78 0 - 6.2-6.8 HB3 SER 74 - QD2 LEU 96 far 0 65 0 - 6.6-9.3 HB THR 65 - QD2 LEU 96 far 0 73 0 - 6.9-9.0 HB3 SER 124 - QD2 LEU 96 far 0 96 0 - 8.7-9.7 HA LEU 119 - QD2 LEU 96 far 0 90 0 - 8.9-10.2 HA ILE 37 - QD2 LEU 96 far 0 81 0 - 9.7-12.1 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 7 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.2-2.8 3.2=100 HG LEU 96 + QD2 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 - QD2 LEU 96 far 0 100 0 - 4.9-7.2 HG2 LYS 95 - QD2 LEU 96 far 0 99 0 - 5.7-8.2 HG3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.8-8.3 HB2 LEU 42 - QD2 LEU 96 far 0 100 0 - 8.0-8.7 QB ALA 16 - QD2 LEU 96 far 0 73 0 - 9.6-29.4 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 1.9-2.5 3.2=100 HB3 GLU 97 - QD2 LEU 96 far 4 83 5 - 4.3-5.8 HG2 GLN 68 - QD2 LEU 96 far 0 100 0 - 5.8-9.7 HB3 GLU 128 - QD2 LEU 96 far 0 97 0 - 5.8-8.0 HB3 GLN 127 - QD2 LEU 96 far 0 97 0 - 7.2-8.7 HG2 GLU 91 - QD2 LEU 96 far 0 98 0 - 7.3-8.4 HB2 GLN 68 - QD2 LEU 96 far 0 89 0 - 7.3-9.1 HB2 GLN 101 - QD2 LEU 96 far 0 57 0 - 8.7-10.5 HB3 GLN 104 - QD2 LEU 96 far 0 93 0 - 9.7-13.4 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 7 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 2.2-2.8 3.2=100 HB3 LEU 100 - QD2 LEU 96 far 0 87 0 - 4.9-7.2 HG2 LYS 95 - QD2 LEU 96 far 0 97 0 - 5.7-8.2 HG3 LYS 95 - QD2 LEU 96 far 0 96 0 - 6.8-8.3 HB2 LEU 42 - QD2 LEU 96 far 0 85 0 - 8.0-8.7 QB ALA 16 - QD2 LEU 96 far 0 99 0 - 9.6-29.4 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 3.3-4.0 2.8/11809=72...(22) H LEU 100 - QD2 LEU 96 far 0 95 0 - 5.9-6.6 H VAL 132 - QD2 LEU 96 far 0 63 0 - 7.7-8.8 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 16 assignments used, quality = 1.00: * H LEU 96 + QD1 LEU 96 OK 99 100 100 99 4.2-4.4 4.6=57, 2.9/3100=43...(20) H VAL 126 + QD1 LEU 96 OK 89 90 100 98 3.3-4.3 2.9/11452=45...(24) H SER 99 - QD1 LEU 96 poor 18 89 20 - 4.6-5.9 H LEU 69 - QD1 LEU 96 poor 17 73 30 79 4.1-5.7 2.9/11812=23, 11056=19...(12) H LEU 123 - QD1 LEU 96 far 5 92 5 - 4.6-6.4 H GLY 111 - QD1 LEU 103 far 0 36 0 - 5.0-10.0 H LEU 123 - QD1 LEU 103 far 0 58 0 - 5.2-8.7 H ALA 110 - QD1 LEU 103 far 0 40 0 - 5.3-11.0 H SER 99 - QD1 LEU 103 far 0 55 0 - 6.0-8.4 H LEU 49 - QD1 LEU 96 far 0 63 0 - 6.4-8.2 H VAL 126 - QD1 LEU 103 far 0 57 0 - 8.4-11.0 H LEU 69 - QD1 LEU 103 far 0 43 0 - 8.7-11.2 H ASP 131 - QD1 LEU 96 far 0 100 0 - 8.8-9.8 H LEU 96 - QD1 LEU 103 far 0 69 0 - 9.2-11.7 H LEU 49 - QD1 LEU 103 far 0 36 0 - 9.7-12.4 H LEU 43 - QD1 LEU 96 far 0 95 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 3100 from cnoeabs.peaks (4.04, 0.77, 23.84 ppm; 3.37 A): 3 out of 19 assignments used, quality = 1.00: * HA LEU 96 + QD1 LEU 96 OK 98 100 100 98 2.7-3.4 4.0=61, 3092/2.1=60...(28) HA LEU 122 + QD1 LEU 96 OK 71 99 90 80 2.8-4.5 3994/9987=18, 3861=16...(22) HA LEU 103 + QD1 LEU 103 OK 40 41 100 97 2.1-3.6 4.1=57, 3.0/7476=32...(16) HA LEU 119 - QD1 LEU 103 poor 16 57 60 47 1.9-6.1 3405/2.1=11...(9) HA GLU 102 - QD1 LEU 103 far 0 65 0 - 4.6-6.7 HA LEU 122 - QD1 LEU 103 far 0 66 0 - 6.0-8.9 HB THR 65 - QD1 LEU 96 far 0 73 0 - 6.0-7.5 HA LYS 95 - QD1 LEU 96 far 0 78 0 - 6.4-6.8 HA LEU 119 - QD1 LEU 96 far 0 90 0 - 6.6-8.1 HA ALA 92 - QD1 LEU 96 far 0 99 0 - 6.8-7.8 HB2 SER 74 - QD1 LEU 96 far 0 68 0 - 6.9-10.1 HB THR 65 - QD1 LEU 103 far 0 43 0 - 7.0-8.8 HA LEU 96 - QD1 LEU 103 far 0 69 0 - 7.2-9.8 HB3 SER 124 - QD1 LEU 96 far 0 96 0 - 7.4-8.9 HB3 SER 74 - QD1 LEU 96 far 0 65 0 - 7.5-10.8 HA LEU 103 - QD1 LEU 96 far 0 71 0 - 8.5-10.2 HA GLU 102 - QD1 LEU 96 far 0 98 0 - 8.9-10.5 HB3 SER 124 - QD1 LEU 103 far 0 62 0 - 9.2-13.0 HA LYS 95 - QD1 LEU 103 far 0 47 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 3101 from cnoeabs.peaks (1.38, 0.77, 23.84 ppm; 3.38 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 + QD1 LEU 96 OK 63 100 75 84 2.3-4.9 3.2/11388=19, ~11918=19...(22) HB3 LEU 100 - QD1 LEU 103 far 3 69 5 - 4.3-6.9 QB ALA 109 - QD1 LEU 103 far 0 66 0 - 4.3-7.8 QB ALA 110 - QD1 LEU 103 far 0 69 0 - 4.4-10.6 QB ALA 108 - QD1 LEU 103 far 0 68 0 - 4.4-8.2 HG2 LYS 95 - QD1 LEU 96 far 0 99 0 - 7.2-8.4 HG LEU 96 - QD1 LEU 103 far 0 55 0 - 7.3-10.4 HG3 LYS 95 - QD1 LEU 96 far 0 100 0 - 7.8-8.3 HB2 LEU 96 - QD1 LEU 103 far 0 69 0 - 8.1-10.3 QB ALA 108 - QD1 LEU 96 far 0 100 0 - 8.6-14.0 HB2 LEU 42 - QD1 LEU 96 far 0 100 0 - 9.4-10.5 QB ALA 29 - QD1 LEU 96 far 0 100 0 - 9.7-20.2 QB ALA 109 - QD1 LEU 96 far 0 99 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (2.23, 0.77, 23.84 ppm; 3.87 A): 2 out of 18 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 GLU 97 + QD1 LEU 96 OK 29 83 35 100 4.1-5.7 ~11461=37, 3.0/11451=37...(34) HB3 GLN 104 - QD1 LEU 103 poor 15 59 25 - 2.0-7.1 HB3 GLU 102 - QD1 LEU 103 far 3 67 5 - 3.9-6.7 HG2 GLN 68 - QD1 LEU 96 far 0 100 0 - 5.3-8.8 HB2 GLN 101 - QD1 LEU 103 far 0 33 0 - 5.5-9.0 HB2 GLN 68 - QD1 LEU 96 far 0 89 0 - 6.6-8.6 HB VAL 105 - QD1 LEU 103 far 0 34 0 - 6.9-9.0 HB2 GLN 101 - QD1 LEU 96 far 0 57 0 - 7.2-9.1 HB3 GLU 128 - QD1 LEU 96 far 0 97 0 - 7.2-9.5 HB3 GLN 127 - QD1 LEU 96 far 0 97 0 - 7.3-8.6 HB3 GLN 104 - QD1 LEU 96 far 0 93 0 - 7.5-10.9 HB3 GLU 102 - QD1 LEU 96 far 0 99 0 - 7.8-10.6 HB3 LEU 96 - QD1 LEU 103 far 0 69 0 - 8.2-11.4 HB3 GLU 97 - QD1 LEU 103 far 0 50 0 - 8.2-10.6 HB2 GLN 68 - QD1 LEU 103 far 0 55 0 - 8.9-13.4 HG2 GLN 68 - QD1 LEU 103 far 0 68 0 - 9.4-11.9 HG2 GLU 91 - QD1 LEU 96 far 0 98 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (1.40, 0.77, 23.84 ppm; 3.40 A): 3 out of 15 assignments used, quality = 1.00: * HG LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.0-3.2 3.2=100 HB3 LEU 100 + QD1 LEU 96 OK 55 87 75 85 2.3-4.9 3.2/11388=19, ~11918=19...(25) QB ALA 109 - QD1 LEU 103 far 3 65 5 - 4.3-7.8 HB3 LEU 100 - QD1 LEU 103 far 3 53 5 - 4.3-6.9 QB ALA 110 - QD1 LEU 103 far 0 58 0 - 4.4-10.6 QB ALA 108 - QD1 LEU 103 far 0 61 0 - 4.4-8.2 HG2 LYS 95 - QD1 LEU 96 far 0 97 0 - 7.2-8.4 HG LEU 96 - QD1 LEU 103 far 0 69 0 - 7.3-10.4 HG3 LYS 95 - QD1 LEU 96 far 0 96 0 - 7.8-8.3 HB2 LEU 96 - QD1 LEU 103 far 0 55 0 - 8.1-10.3 QB ALA 108 - QD1 LEU 96 far 0 95 0 - 8.6-14.0 HB2 LEU 42 - QD1 LEU 96 far 0 85 0 - 9.4-10.5 QB ALA 29 - QD1 LEU 96 far 0 89 0 - 9.7-20.2 QB ALA 109 - QD1 LEU 96 far 0 98 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (0.75, 0.77, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 96 + QD1 LEU 96 OK 76 76 - 100 Reference assignment not found: QD2 LEU 96 - QD1 LEU 96 Peak 3105 from cnoeabs.peaks (0.77, 0.77, 23.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 96 + QD1 LEU 96 OK 100 100 - 100 QD1 LEU 103 + QD1 LEU 103 OK 64 64 - 100 Peak 3106 from cnoeabs.peaks (8.50, 0.77, 23.84 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 97 + QD1 LEU 96 OK 100 100 100 100 3.3-4.1 3098/2.1=83, 7330/4.6=56...(25) H LEU 100 + QD1 LEU 96 OK 90 95 100 95 3.5-5.0 3090/2.1=25, 7388/4.0=24...(24) H LEU 100 - QD1 LEU 103 far 9 61 15 - 4.1-6.4 H GLU 97 - QD1 LEU 103 far 0 69 0 - 8.0-10.4 H VAL 132 - QD1 LEU 96 far 0 63 0 - 9.9-10.8 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 3 assignments used, quality = 1.00: * H GLU 97 + HA GLU 97 OK 100 100 100 100 2.8-2.9 2.8=100 H LEU 100 + HA GLU 97 OK 94 95 100 100 3.1-3.8 3.9/3115=59...(22) H SER 9 - HA GLU 97 far 0 96 0 - 9.5-54.9 Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (3.76, 3.76, 59.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 97 + HA GLU 97 OK 100 100 - 100 Peak 3109 from cnoeabs.peaks (2.14, 3.76, 59.92 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 69 - HA GLU 97 far 0 65 0 - 6.3-9.9 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 8 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 96 - HA GLU 97 far 0 83 0 - 5.0-5.5 HB2 GLN 101 - HA GLU 97 far 0 97 0 - 5.3-7.2 HB3 GLN 104 - HA GLU 97 far 0 99 0 - 7.3-11.5 HB3 GLU 102 - HA GLU 97 far 0 95 0 - 8.2-10.4 HB2 GLN 104 - HA GLU 97 far 0 65 0 - 8.8-11.0 HG2 GLN 68 - HA GLU 97 far 0 92 0 - 9.0-12.0 HB2 GLN 68 - HA GLU 97 far 0 100 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 3111 from cnoeabs.peaks (2.27, 3.76, 59.92 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.1-3.9 3.8=100 HB3 GLN 101 + HA GLU 97 OK 20 60 50 67 3.6-7.2 3157/4.9=23, 4.0/7405=17...(14) Violated in 0 structures by 0.00 A. Peak 3112 from cnoeabs.peaks (2.42, 3.76, 59.92 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.5-4.1 3.8=100 HG2 GLN 101 + HA GLU 97 OK 31 100 45 68 4.2-6.6 3306/4.9=20...(13) Violated in 1 structures by 0.01 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 4 assignments used, quality = 1.00: * H LEU 100 + HA GLU 97 OK 100 100 100 100 3.1-3.8 3.9/3115=54...(22) H GLU 97 + HA GLU 97 OK 95 95 100 100 2.8-2.9 2.8=100 H LEU 70 - HA GLU 97 far 0 78 0 - 5.2-7.1 H SER 9 - HA GLU 97 far 0 100 0 - 9.5-54.9 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 2.1-4.2 3.2/10036=65, 3231=48...(24) HB3 LEU 122 - HA GLU 97 far 6 63 10 - 5.0-8.5 HB3 LEU 103 - HA GLU 97 far 0 60 0 - 7.2-10.9 HB VAL 93 - HA GLU 97 far 0 99 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 3116 from cnoeabs.peaks (1.38, 3.76, 59.92 ppm; 4.38 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 100 + HA GLU 97 OK 100 100 100 100 2.0-4.0 1.8/3115=88...(27) HG LEU 96 + HA GLU 97 OK 87 87 100 100 2.9-3.3 2.1/11809=75...(33) HB2 LEU 96 + HA GLU 97 OK 65 100 65 100 5.0-5.4 3.2/11809=62...(40) HG2 LYS 95 - HA GLU 97 far 0 99 0 - 8.3-9.8 HG3 LYS 95 - HA GLU 97 far 0 99 0 - 8.6-9.5 QB ALA 108 - HA GLU 97 far 0 100 0 - 9.4-15.7 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (4.23, 2.14, 28.66 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 94 + HB2 GLU 97 OK 100 100 100 100 2.9-5.1 2936=100, 11457/2.9=73...(11) HA HIS 67 - HB2 GLU 97 far 9 92 10 - 4.2-9.0 HA SER 99 - HB2 GLU 97 far 0 92 0 - 7.3-8.7 Violated in 6 structures by 0.10 A. Peak 3118 from cnoeabs.peaks (8.50, 2.14, 28.66 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.1-3.6 7345=100, 7348/2.9=58...(14) H LEU 100 - HB2 GLU 97 far 0 95 0 - 5.0-6.1 H SER 9 - HB2 GLU 97 far 0 96 0 - 9.1-57.0 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (3.76, 2.14, 28.66 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 99 - HB2 GLU 97 far 0 100 0 - 6.7-8.7 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 8 assignments used, quality = 1.00: * HB3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB2 GLU 97 far 0 97 0 - 5.0-8.2 HB3 LEU 96 - HB2 GLU 97 far 0 83 0 - 5.0-7.4 HB3 GLN 104 - HB2 GLU 97 far 0 99 0 - 8.7-13.7 HG2 GLN 68 - HB2 GLU 97 far 0 92 0 - 8.9-13.4 HB3 GLU 102 - HB2 GLU 97 far 0 95 0 - 9.2-12.2 HB2 GLN 68 - HB2 GLU 97 far 0 100 0 - 9.5-14.7 HB2 GLN 104 - HB2 GLU 97 far 0 65 0 - 9.9-12.8 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 6 60 10 - 3.6-8.1 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 2.2-3.0 2.9=100 HG2 GLN 101 - HB2 GLU 97 far 15 100 15 - 3.6-8.2 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 2.4-4.2 7358=100, 7359/1.8=88...(16) Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (4.23, 2.21, 28.66 ppm; 4.45 A): 3 out of 7 assignments used, quality = 1.00: * HA SER 94 + HB3 GLU 97 OK 100 100 100 100 3.4-5.1 3117/1.8=91...(12) HA SER 99 + HB3 GLU 102 OK 70 70 100 100 2.4-5.3 3332/1.8=82, 3207=80...(9) HA ARG 84 + HB2 GLN 82 OK 59 66 90 99 5.0-7.2 2.8/9778=65...(12) HA HIS 67 - HB3 GLU 97 far 9 92 10 - 4.9-8.0 HA SER 124 - HB3 GLU 128 far 0 72 0 - 5.5-7.4 HA ALA 88 - HB3 GLU 128 far 0 38 0 - 6.6-9.0 HA SER 99 - HB3 GLU 97 far 0 92 0 - 7.4-8.5 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 9 assignments used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.6-3.6 4.0=100 H LEU 100 - HB3 GLU 97 far 9 95 10 - 4.9-5.8 H VAL 132 - HB3 GLU 128 far 4 40 10 - 4.6-6.5 H LEU 100 - HB3 GLU 102 far 4 73 5 - 4.9-7.4 H SER 9 - HB3 GLU 97 far 0 96 0 - 7.7-55.3 H GLU 97 - HB3 GLU 102 far 0 82 0 - 9.1-12.0 H GLU 97 - HB3 GLU 128 far 0 75 0 - 9.5-11.8 H HIS 4 - HB3 GLU 102 far 0 57 0 - 9.7-70.7 H VAL 132 - HB2 GLN 82 far 0 41 0 - 9.9-12.5 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 9 assignments used, quality = 1.00: * HA GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 99 - HB3 GLU 102 far 4 81 5 - 4.7-7.9 HA THR 83 - HB2 GLN 82 far 3 64 5 - 4.9-6.0 HA VAL 133 - HB2 GLN 82 far 0 76 0 - 6.2-9.8 HB3 SER 130 - HB3 GLU 128 far 0 68 0 - 6.9-8.6 HB2 SER 99 - HB3 GLU 97 far 0 100 0 - 7.0-8.7 HA SER 130 - HB3 GLU 128 far 0 55 0 - 7.5-8.6 HA GLU 97 - HB3 GLU 102 far 0 82 0 - 8.2-10.4 HA VAL 133 - HB3 GLU 128 far 0 74 0 - 9.5-11.4 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 5 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 - 5.6-7.5 HB3 LEU 69 - HB3 GLU 97 far 0 65 0 - 6.5-11.6 HB3 LEU 69 - HB3 GLU 128 far 0 42 0 - 8.7-13.5 HB2 GLU 97 - HB3 GLU 102 far 0 82 0 - 9.2-12.2 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 9 assignments used, quality = 1.00: * HG2 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 101 - HB3 GLU 97 poor 17 60 55 50 3.1-7.8 3157/3156=12...(9) HB3 GLN 101 - HB3 GLU 102 far 2 42 5 - 4.9-7.2 HB VAL 105 - HB3 GLU 102 far 0 80 0 - 5.4-7.9 HB2 PRO 81 - HB2 GLN 82 far 0 64 0 - 5.6-7.1 HB VAL 132 - HB3 GLU 128 far 0 71 0 - 5.7-8.0 HB VAL 132 - HB2 GLN 82 far 0 73 0 - 8.2-10.6 HG2 GLU 97 - HB3 GLU 102 far 0 82 0 - 9.3-13.1 HB VAL 105 - HB3 GLU 97 far 0 99 0 - 9.5-14.7 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 2.3-3.0 2.9=100 HG3 GLU 128 + HB3 GLU 128 OK 75 75 100 100 2.6-3.0 3.0=100 HG2 GLN 82 + HB2 GLN 82 OK 57 57 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 39 39 100 100 2.4-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 97 poor 17 100 35 47 3.6-6.8 3112/3.0=12...(10) HG2 GLN 101 - HB3 GLU 102 far 12 81 15 - 4.5-8.1 HG3 GLU 97 - HB3 GLU 102 far 0 82 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 3132 from cnoeabs.peaks (7.74, 2.21, 28.66 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + HB3 GLU 97 OK 100 100 100 100 2.4-4.1 4.7=100 H VAL 118 - HB3 GLU 102 far 0 63 0 - 6.0-9.1 H LEU 98 - HB3 GLU 102 far 0 82 0 - 7.5-10.1 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 1.9-4.2 7348/1.8=79, 4.6=68...(22) H LEU 100 - HG2 GLU 97 far 0 95 0 - 5.0-6.7 H SER 9 - HG2 GLU 97 far 0 96 0 - 7.7-55.6 Violated in 1 structures by 0.01 A. Peak 3134 from cnoeabs.peaks (3.76, 2.27, 35.12 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.1-3.9 3.8=99, 2.8/3133=55...(24) HB2 SER 99 - HG2 GLU 97 far 0 100 0 - 6.5-8.9 Violated in 4 structures by 0.03 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 - 5.7-11.9 HG3 GLU 91 - HG2 GLU 97 far 0 60 0 - 9.6-13.6 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 6 assignments used, quality = 1.00: * HB3 GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 96 + HG2 GLU 97 OK 45 83 55 100 4.3-7.0 4.4/3133=50, ~11461=30...(31) HB2 GLN 101 - HG2 GLU 97 far 5 97 5 - 4.9-9.3 HB3 GLU 102 - HG2 GLU 97 far 0 95 0 - 9.3-13.1 HG2 GLN 68 - HG2 GLU 97 far 0 92 0 - 9.7-15.0 HG2 GLU 91 - HG2 GLU 97 far 0 97 0 - 9.9-13.6 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 - 5.0-8.8 HG3 GLU 128 - HG2 GLU 97 far 0 100 0 - 9.9-12.9 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 2 assignments used, quality = 1.00: * H LEU 98 + HG2 GLU 97 OK 100 100 100 100 1.9-4.6 7359/2.9=82, 7358/2.9=80...(20) HE22 GLN 68 - HG2 GLU 30 far 0 44 0 - 9.1-26.1 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 1.9-4.1 7348=100, 3133/1.8=72...(20) H LEU 100 - HG3 GLU 97 far 0 95 0 - 5.4-6.9 H SER 9 - HG3 GLU 97 far 0 96 0 - 8.1-57.3 Violated in 1 structures by 0.01 A. Peak 3141 from cnoeabs.peaks (3.76, 2.42, 35.12 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.5-4.1 3.8=100 HB2 SER 99 - HG3 GLU 97 far 0 100 0 - 6.8-9.7 Violated in 4 structures by 0.03 A. Peak 3142 from cnoeabs.peaks (2.14, 2.42, 35.12 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 69 - HG3 GLU 97 far 0 65 0 - 5.3-12.7 HG3 GLU 91 - HG3 GLU 97 far 0 60 0 - 9.5-12.7 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 8 assignments used, quality = 1.00: * HB3 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 96 - HG3 GLU 97 far 0 83 0 - 4.2-6.9 HB2 GLN 101 - HG3 GLU 97 far 0 97 0 - 6.2-8.7 HG2 GLN 68 - HG3 GLU 97 far 0 92 0 - 8.9-15.1 HB3 GLU 102 - HG3 GLU 97 far 0 95 0 - 9.4-12.9 HG2 GLU 91 - HG3 GLU 97 far 0 97 0 - 9.6-12.6 HB2 GLN 68 - HG3 GLU 97 far 0 100 0 - 9.7-14.4 HB3 GLN 104 - HG3 GLU 97 far 0 99 0 - 9.9-13.3 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 - 4.8-8.6 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 1.9-5.1 7359/2.9=91, 3139/1.8=90...(18) 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 95 84 3.2-5.0 3.7/1631=32, 3.3/6644=22...(13) HE22 GLN 68 - HA LEU 49 far 0 56 0 - 5.8-9.6 HE22 GLN 68 - HA LEU 48 far 0 69 0 - 5.9-9.5 H LEU 53 - HA LEU 48 far 0 74 0 - 6.4-7.2 H GLU 55 - HA LEU 49 far 0 72 0 - 7.4-8.5 H VAL 118 - HA GLN 104 far 0 43 0 - 9.4-12.0 H GLU 55 - HA LEU 48 far 0 86 0 - 9.5-10.4 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 11 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 62 - HA LEU 49 far 0 84 0 - 5.2-7.3 HB2 LEU 123 - HA LEU 49 far 0 85 0 - 6.7-9.5 HD3 LYS 95 - HA LEU 98 far 0 99 0 - 6.9-10.3 HB2 LEU 69 - HA LEU 49 far 0 70 0 - 6.9-10.2 HD2 LYS 95 - HA LEU 98 far 0 100 0 - 7.0-10.2 HG LEU 62 - HA GLN 104 far 0 57 0 - 8.2-10.2 HB2 LEU 69 - HA LEU 48 far 0 84 0 - 8.7-12.2 HD3 LYS 26 - HA LEU 48 far 0 97 0 - 9.0-39.9 HG LEU 62 - HA LEU 48 far 0 98 0 - 9.1-11.4 HD2 LYS 24 - HA GLN 104 far 0 54 0 - 9.7-43.5 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 12 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 48 + HA LEU 48 OK 98 98 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 46 55 85 98 3.7-5.0 7488/3.0=56, ~3378=23...(20) HB2 LEU 48 + HA LEU 49 OK 37 84 45 98 3.7-5.5 6598/2.9=51, 3.1/1521=23...(28) HB3 LEU 122 - HA LEU 49 far 0 81 0 - 5.5-10.5 HG LEU 100 - HA LEU 98 far 0 99 0 - 6.7-8.4 HB3 LEU 122 - HA LEU 98 far 0 98 0 - 7.1-10.8 HG LEU 100 - HA GLN 104 far 0 55 0 - 7.3-9.4 HB3 LEU 103 - HA LEU 98 far 0 99 0 - 7.6-11.0 HG LEU 100 - HA LEU 49 far 0 82 0 - 8.2-10.6 HB3 LEU 122 - HA GLN 104 far 0 54 0 - 9.4-11.6 HB3 LYS 24 - HA LEU 48 far 0 56 0 - 9.4-39.2 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 7 assignments used, quality = 1.00: * HG LEU 98 + HA LEU 98 OK 100 100 100 100 2.6-3.7 3.7=100 HG LEU 48 + HA LEU 48 OK 98 98 100 100 2.2-4.2 3.7=100 HG LEU 48 - HA LEU 49 far 0 84 0 - 5.1-6.3 HB3 LEU 70 - HA LEU 98 far 0 100 0 - 7.6-9.8 HB2 LEU 70 - HA LEU 98 far 0 100 0 - 8.3-10.4 HB2 LEU 43 - HA LEU 48 far 0 83 0 - 9.5-10.5 HB3 LEU 70 - HA GLN 104 far 0 56 0 - 9.6-14.6 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 15 assignments used, quality = 1.00: * QD1 LEU 98 + HA LEU 98 OK 100 100 100 100 1.9-3.7 3185=100, 2.1/3193=51...(25) QD2 LEU 98 + HA LEU 98 OK 93 93 100 100 1.9-4.1 4.0=81, 2.1/3185=78...(17) QD2 LEU 123 - HA LEU 49 poor 13 60 35 59 3.3-7.7 11636/4.8=23...(15) QD2 LEU 69 - HA LEU 49 far 4 83 5 - 4.6-6.7 QG2 VAL 57 - HA LEU 49 far 0 85 0 - 5.1-6.4 QD2 LEU 70 - HA LEU 98 far 0 99 0 - 5.4-6.8 QD2 LEU 123 - HA LEU 48 far 0 74 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 96 0 - 6.2-8.1 QG2 VAL 57 - HA LEU 48 far 0 98 0 - 7.5-8.9 QD2 LEU 70 - HA GLN 104 far 0 56 0 - 8.5-11.2 QD2 LEU 70 - HA LEU 49 far 0 83 0 - 8.6-10.7 QG2 VAL 57 - HA GLN 104 far 0 58 0 - 9.5-11.9 QD2 LEU 69 - HA LEU 98 far 0 99 0 - 9.5-12.6 QD2 LEU 69 - HA GLN 104 far 0 55 0 - 9.8-13.2 QD1 LEU 98 - HA GLN 104 far 0 58 0 - 10.0-13.0 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 18 assignments used, quality = 1.00: * QD2 LEU 98 + HA LEU 98 OK 99 100 100 99 1.9-4.1 2.1/3185=66, 3193=60...(17) QD1 LEU 98 + HA LEU 98 OK 93 93 100 100 1.9-3.7 3185=90, 2.1/3193=43...(24) QD2 LEU 123 - HA LEU 49 poor 15 82 30 60 3.3-7.7 11636/4.8=26...(18) QD2 LEU 69 - HA LEU 49 far 0 83 0 - 4.6-6.7 QG2 VAL 57 - HA LEU 49 far 0 75 0 - 5.1-6.4 QD2 LEU 70 - HA LEU 98 far 0 83 0 - 5.4-6.8 QG1 VAL 118 - HA GLN 104 far 0 37 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 96 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 96 0 - 6.2-8.1 QG1 VAL 118 - HA LEU 98 far 0 76 0 - 6.4-7.0 QG2 VAL 57 - HA LEU 48 far 0 89 0 - 7.5-8.9 QG1 VAL 118 - HA LEU 49 far 0 58 0 - 8.0-10.1 QD2 LEU 70 - HA GLN 104 far 0 41 0 - 8.5-11.2 QD2 LEU 70 - HA LEU 49 far 0 64 0 - 8.6-10.7 QG2 VAL 57 - HA GLN 104 far 0 49 0 - 9.5-11.9 QD2 LEU 69 - HA LEU 98 far 0 99 0 - 9.5-12.6 QD2 LEU 69 - HA GLN 104 far 0 55 0 - 9.8-13.2 QD1 LEU 98 - HA GLN 104 far 0 49 0 - 10.0-13.0 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 3.4-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 79 79 100 100 2.7-2.9 2.9=100 H LEU 96 - HA LEU 98 far 0 89 0 - 6.7-7.3 H GLY 111 - HA GLN 104 far 0 52 0 - 7.4-11.3 H LEU 69 - HA LEU 49 far 0 83 0 - 7.4-9.4 H ALA 110 - HA GLN 104 far 0 54 0 - 7.7-11.3 H VAL 126 - HA LEU 49 far 0 85 0 - 7.9-10.0 H LEU 69 - HA LEU 48 far 0 96 0 - 9.5-11.8 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 3.5-4.5 7418/3157=71...(21) H CYS 45 - HA LEU 48 far 0 95 0 - 7.0-7.9 H LYS 95 - HA LEU 98 far 0 65 0 - 7.0-7.8 H GLN 101 - HA GLN 104 far 0 58 0 - 7.2-8.3 H CYS 45 - HA LEU 49 far 0 81 0 - 8.1-9.8 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 17 assignments used, quality = 0.86: HB3 GLU 97 + HA LEU 98 OK 52 97 55 96 3.8-5.6 7359/2.9=51, ~7358=32...(17) HB3 GLN 104 + HA GLN 104 OK 47 47 100 100 2.2-2.7 3.0=100 HB2 GLN 104 + HA GLN 104 OK 45 45 100 100 2.3-3.0 3.0=100 ! HB2 GLN 101 - HA LEU 98 far 5 100 5 - 4.3-5.1 HB3 GLU 102 - HA LEU 98 far 0 76 0 - 5.9-8.3 HG2 GLN 68 - HA LEU 49 far 0 54 0 - 6.9-10.8 HB2 GLN 101 - HA GLN 104 far 0 58 0 - 7.0-8.8 HB3 GLN 68 - HA LEU 49 far 0 47 0 - 7.3-11.0 HB3 GLU 102 - HA GLN 104 far 0 37 0 - 7.5-8.4 HB3 LEU 96 - HA LEU 98 far 0 57 0 - 7.9-8.7 HG2 GLN 68 - HA LEU 48 far 0 67 0 - 8.1-11.4 HB2 GLN 68 - HA LEU 49 far 0 76 0 - 8.1-11.2 HB3 GLN 104 - HA LEU 98 far 0 90 0 - 8.2-11.4 HB3 GLN 127 - HA LEU 49 far 0 64 0 - 8.4-11.2 HB3 GLN 68 - HA LEU 48 far 0 59 0 - 9.1-11.9 HB2 GLN 104 - HA LEU 98 far 0 89 0 - 9.6-11.3 HB2 GLN 68 - HA LEU 48 far 0 91 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (2.30, 4.11, 57.89 ppm; 3.96 A): 1 out of 7 assignments used, quality = 0.94: * HB3 GLN 101 + HA LEU 98 OK 94 100 95 99 3.0-5.1 3295=49, 7418/3155=45...(18) HG2 GLU 97 - HA LEU 98 poor 18 60 30 - 3.2-6.5 HG2 GLN 61 - HA LEU 49 far 0 66 0 - 5.2-8.8 HG3 GLN 68 - HA LEU 49 far 0 58 0 - 6.5-9.4 HG2 GLN 61 - HA LEU 48 far 0 81 0 - 7.7-11.1 HB3 GLN 101 - HA GLN 104 far 0 58 0 - 7.8-9.1 HG3 GLN 68 - HA LEU 48 far 0 72 0 - 8.1-10.1 Violated in 5 structures by 0.08 A. Peak 3158 from cnoeabs.peaks (4.02, 1.65, 41.76 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.85: * HA LYS 95 + HB2 LEU 98 OK 85 100 85 100 2.4-5.1 2963/1.8=75...(15) HA LEU 96 - HB2 LEU 98 far 4 78 5 - 4.8-7.3 HB3 SER 99 - HB2 LEU 98 far 0 93 0 - 5.1-6.9 HA ALA 92 - HB2 LEU 98 far 0 63 0 - 7.7-10.6 HA LEU 103 - HB2 LEU 98 far 0 100 0 - 9.0-10.9 HB2 SER 124 - HB2 LEU 98 far 0 73 0 - 9.1-14.4 Violated in 14 structures by 0.57 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 2.2-3.6 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 2.3-3.0 3.0=100 HA GLN 101 - HB2 LEU 98 far 0 100 0 - 7.3-8.4 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 - 6.1-11.4 HG LEU 100 - HB2 LEU 98 far 0 99 0 - 6.9-10.3 HB3 LEU 103 - HB2 LEU 98 far 0 99 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 3163 from cnoeabs.peaks (1.71, 1.65, 41.76 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 70 - HB2 LEU 98 far 0 100 0 - 8.1-11.6 HB2 LEU 70 - HB2 LEU 98 far 0 100 0 - 9.4-12.3 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 2.1-3.2 3.1=100 QD2 LEU 98 + HB2 LEU 98 OK 93 93 100 100 2.0-2.7 3.1=100 QD2 LEU 70 - HB2 LEU 98 far 0 99 0 - 6.5-8.1 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 2.0-2.7 3.1=100 QD1 LEU 98 + HB2 LEU 98 OK 93 93 100 100 2.1-3.2 3.1=100 QG1 VAL 118 - HB2 LEU 98 far 0 76 0 - 6.1-7.5 QD2 LEU 70 - HB2 LEU 98 far 0 83 0 - 6.5-8.1 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 2.1-4.1 4.6=91, 7375/7363=65...(17) H LEU 96 + HB2 LEU 98 OK 21 89 25 94 4.8-7.4 3.6/3158=67...(18) H VAL 126 - HB2 LEU 98 far 0 100 0 - 8.8-12.5 Violated in 0 structures by 0.00 A. Peak 3167 from cnoeabs.peaks (4.02, 1.78, 41.76 ppm; 4.30 A): 6 out of 23 assignments used, quality = 1.00: * HA LYS 95 + HB3 LEU 98 OK 100 100 100 100 2.9-4.4 2963=100, 3158/1.8=88...(21) HA LEU 103 + HB3 LEU 103 OK 91 91 100 100 2.3-3.0 3.0=100 HB3 SER 99 + HB3 LEU 122 OK 64 75 85 100 1.9-6.4 11476/3.1=41, 11472=33...(25) HA LEU 119 + HB3 LEU 122 OK 63 84 75 100 3.0-5.7 3764=96, 3762/3.5=44...(22) HA LEU 96 + HB3 LEU 98 OK 33 78 45 93 4.6-6.8 4.9/2963=43, 3.6/9998=26...(23) HA LEU 96 + HB3 LEU 122 OK 32 60 55 98 3.1-6.4 3868/1.8=22...(49) HB3 SER 99 - HB3 LEU 98 far 14 93 15 - 3.7-6.8 HA GLU 44 - HB2 LEU 48 far 6 55 10 - 4.7-7.3 HB3 SER 99 - HB3 LEU 103 far 4 81 5 - 4.6-7.5 HA LEU 119 - HB3 LEU 103 far 0 90 0 - 5.3-8.2 HA SER 60 - HB3 LEU 103 far 0 87 0 - 5.9-9.2 HA SER 50 - HB3 LEU 122 far 0 58 0 - 6.5-10.9 HA LEU 103 - HB3 LEU 122 far 0 85 0 - 6.5-9.7 HA LYS 95 - HB3 LEU 122 far 0 86 0 - 7.0-11.0 HB3 SER 124 - HB3 LEU 122 far 0 80 0 - 7.1-8.4 HA SER 50 - HB2 LEU 48 far 0 70 0 - 7.2-8.5 HB2 SER 124 - HB3 LEU 122 far 0 56 0 - 7.4-8.5 HA LEU 96 - HB3 LEU 103 far 0 66 0 - 7.4-11.0 HA ALA 92 - HB3 LEU 98 far 0 63 0 - 8.3-10.0 HA ALA 92 - HB3 LEU 122 far 0 47 0 - 8.8-12.1 HA GLN 68 - HB2 LEU 48 far 0 63 0 - 9.1-11.8 HA LEU 103 - HB3 LEU 98 far 0 100 0 - 9.2-11.4 HB2 SER 124 - HB3 LEU 98 far 0 73 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 3168 from cnoeabs.peaks (7.74, 1.78, 41.76 ppm; 3.84 A): 1 out of 11 assignments used, quality = 1.00: * H LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-3.6 7364=100, 7363/1.8=77...(24) HE22 GLN 68 - HB2 LEU 48 poor 14 68 20 - 3.2-7.4 H VAL 118 - HB3 LEU 103 far 0 73 0 - 4.9-8.6 H LEU 98 - HB3 LEU 122 far 0 86 0 - 5.8-9.4 H LEU 53 - HB3 LEU 122 far 0 60 0 - 5.9-12.2 H VAL 118 - HB3 LEU 122 far 0 67 0 - 6.3-8.0 H LEU 53 - HB2 LEU 48 far 0 73 0 - 6.6-8.7 H LEU 98 - HB3 LEU 103 far 0 92 0 - 8.2-11.9 HE22 GLN 68 - HB3 LEU 122 far 0 56 0 - 9.3-14.8 H VAL 118 - HB3 LEU 98 far 0 85 0 - 9.5-12.1 H GLU 55 - HB3 LEU 122 far 0 72 0 - 9.5-14.9 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 15 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 48 + HB2 LEU 48 OK 97 97 100 100 2.4-3.0 3.0=100 HA CYS 45 + HB2 LEU 48 OK 84 85 100 99 2.5-4.3 1437=74, 1438/1.8=62...(13) HA GLN 104 + HB3 LEU 103 OK 76 76 100 100 3.7-5.0 3.0/7488=66, 11431=39...(24) HA LEU 49 + HB2 LEU 48 OK 43 97 45 99 3.7-5.5 2.9/6598=61...(29) HA GLN 101 - HB3 LEU 103 far 0 91 0 - 5.1-7.6 HA LEU 49 - HB3 LEU 122 far 0 86 0 - 5.5-10.5 HA ALA 52 - HB2 LEU 48 far 0 63 0 - 6.6-9.1 HA LEU 98 - HB3 LEU 122 far 0 86 0 - 7.1-10.8 HA LEU 98 - HB3 LEU 103 far 0 92 0 - 7.6-11.0 HA GLN 101 - HB3 LEU 122 far 0 85 0 - 7.6-11.4 HA GLN 101 - HB3 LEU 98 far 0 100 0 - 7.7-8.7 HA ALA 52 - HB3 LEU 122 far 0 52 0 - 8.7-13.9 HA3 GLY 114 - HB3 LEU 103 far 0 75 0 - 9.3-14.8 HA GLN 104 - HB3 LEU 122 far 0 70 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 3170 from cnoeabs.peaks (1.65, 1.78, 41.76 ppm; 2.97 A): 1 out of 16 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 - 4.6-6.9 HD3 LYS 95 - HB3 LEU 98 far 0 99 0 - 4.7-8.0 HD2 LYS 95 - HB3 LEU 98 far 0 100 0 - 5.2-8.5 HB2 LEU 98 - HB3 LEU 122 far 0 86 0 - 6.1-11.4 HG LEU 62 - HB3 LEU 103 far 0 91 0 - 6.4-9.2 HB2 LEU 69 - HB2 LEU 48 far 0 83 0 - 6.8-11.4 HG LEU 62 - HB3 LEU 122 far 0 85 0 - 6.9-10.5 HB2 LEU 69 - HB3 LEU 122 far 0 70 0 - 7.6-11.8 HG LEU 62 - HB2 LEU 48 far 0 97 0 - 7.7-12.4 HD3 LYS 26 - HB2 LEU 48 far 0 96 0 - 8.6-37.3 HB2 LEU 98 - HB3 LEU 103 far 0 92 0 - 8.9-11.7 HD2 LYS 95 - HB3 LEU 122 far 0 85 0 - 9.5-13.3 HD2 LYS 26 - HB2 LEU 48 far 0 95 0 - 9.5-38.2 HD3 LYS 95 - HB3 LEU 122 far 0 83 0 - 9.6-13.4 HB2 LEU 123 - HB3 LEU 103 far 0 91 0 - 9.9-13.5 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 10 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 48 + HB2 LEU 48 OK 97 97 100 100 2.3-3.0 3.0=100 HG LEU 98 - HB3 LEU 122 far 0 86 0 - 7.0-11.7 HG LEU 98 - HB3 LEU 103 far 0 92 0 - 7.9-12.9 HB3 LEU 70 - HB3 LEU 122 far 0 84 0 - 8.4-11.1 HB3 LEU 70 - HB3 LEU 103 far 0 90 0 - 8.4-14.9 HB2 LEU 43 - HB2 LEU 48 far 0 81 0 - 8.5-10.5 HB3 LEU 70 - HB3 LEU 98 far 0 100 0 - 9.1-11.6 HB2 LEU 70 - HB3 LEU 103 far 0 91 0 - 9.6-15.5 HB2 LEU 70 - HB3 LEU 122 far 0 85 0 - 9.9-12.4 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 19 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 93 93 100 100 2.0-3.2 3.1=100 QD2 LEU 69 - HB2 LEU 48 poor 13 95 25 54 4.3-6.9 11044/10991=33...(4) QD2 LEU 123 - HB3 LEU 122 far 3 60 5 - 4.5-7.6 QD2 LEU 70 - HB3 LEU 122 far 0 84 0 - 5.2-7.9 QD2 LEU 123 - HB2 LEU 48 far 0 73 0 - 5.9-11.3 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 6.3-8.6 QD2 LEU 70 - HB3 LEU 98 far 0 99 0 - 6.3-7.6 QD1 LEU 98 - HB3 LEU 103 far 0 92 0 - 6.5-11.5 QD2 LEU 70 - HB3 LEU 103 far 0 90 0 - 6.8-10.3 QG2 VAL 57 - HB2 LEU 48 far 0 97 0 - 7.1-10.1 QD2 LEU 98 - HB3 LEU 122 far 0 75 0 - 7.2-10.4 QD1 LEU 98 - HB3 LEU 122 far 0 86 0 - 7.3-10.9 QG2 VAL 57 - HB3 LEU 103 far 0 92 0 - 7.5-10.5 QG2 VAL 57 - HB3 LEU 122 far 0 86 0 - 7.8-11.2 QD2 LEU 69 - HB3 LEU 103 far 0 89 0 - 8.3-12.4 QD2 LEU 98 - HB3 LEU 103 far 0 81 0 - 8.5-11.7 QD2 LEU 70 - HB2 LEU 48 far 0 96 0 - 9.1-11.9 QD2 LEU 123 - HB3 LEU 103 far 0 66 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (0.88, 1.78, 41.76 ppm; 3.57 A): 4 out of 22 assignments used, quality = 1.00: * QD2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 98 + HB3 LEU 98 OK 93 93 100 100 2.1-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 103 OK 64 64 100 99 2.4-4.1 2.1/11916=51, ~10263=33...(25) QG1 VAL 118 + HB3 LEU 122 OK 52 58 100 88 2.5-4.1 11748/3.5=30, 390/1.8=15...(26) QD2 LEU 69 - HB2 LEU 48 far 10 95 10 - 4.3-6.9 QD2 LEU 123 - HB3 LEU 122 far 0 82 0 - 4.5-7.6 QD2 LEU 70 - HB3 LEU 122 far 0 65 0 - 5.2-7.9 QD2 LEU 123 - HB2 LEU 48 far 0 95 0 - 5.9-11.3 QG1 VAL 118 - HB3 LEU 98 far 0 76 0 - 6.0-7.8 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 6.3-8.6 QD2 LEU 70 - HB3 LEU 98 far 0 83 0 - 6.3-7.6 QD1 LEU 98 - HB3 LEU 103 far 0 81 0 - 6.5-11.5 QD2 LEU 70 - HB3 LEU 103 far 0 71 0 - 6.8-10.3 QG2 VAL 57 - HB2 LEU 48 far 0 88 0 - 7.1-10.1 QD2 LEU 98 - HB3 LEU 122 far 0 86 0 - 7.2-10.4 QD1 LEU 98 - HB3 LEU 122 far 0 75 0 - 7.3-10.9 QG2 VAL 57 - HB3 LEU 103 far 0 81 0 - 7.5-10.5 QG2 VAL 57 - HB3 LEU 122 far 0 75 0 - 7.8-11.2 QD2 LEU 69 - HB3 LEU 103 far 0 89 0 - 8.3-12.4 QD2 LEU 98 - HB3 LEU 103 far 0 92 0 - 8.5-11.7 QD2 LEU 70 - HB2 LEU 48 far 0 77 0 - 9.1-11.9 QD2 LEU 123 - HB3 LEU 103 far 0 88 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 3175 from cnoeabs.peaks (8.29, 1.78, 41.76 ppm; 4.42 A): 4 out of 16 assignments used, quality = 1.00: * H SER 99 + HB3 LEU 98 OK 100 100 100 100 2.1-3.7 4.6=88, 3166/1.8=66...(20) H LEU 49 + HB2 LEU 48 OK 92 92 100 100 2.1-3.9 6598=94, 6589/6584=68...(36) H SER 99 + HB3 LEU 122 OK 45 86 55 95 3.9-7.7 11382/3.1=29...(25) H VAL 126 + HB3 LEU 122 OK 20 86 25 96 5.0-5.9 10405/1.8=52...(16) H LEU 96 - HB3 LEU 98 far 4 89 5 - 5.2-7.0 H LEU 96 - HB3 LEU 122 far 0 70 0 - 5.8-8.9 H SER 99 - HB3 LEU 103 far 0 92 0 - 6.2-9.5 H LEU 69 - HB2 LEU 48 far 0 95 0 - 6.9-10.6 H LEU 49 - HB3 LEU 122 far 0 79 0 - 7.0-11.8 H GLY 111 - HB3 LEU 103 far 0 85 0 - 7.2-12.8 H ALA 110 - HB3 LEU 103 far 0 88 0 - 7.7-13.3 H LEU 69 - HB3 LEU 122 far 0 83 0 - 8.8-11.2 H LEU 43 - HB2 LEU 48 far 0 97 0 - 8.8-10.6 H VAL 126 - HB3 LEU 98 far 0 100 0 - 8.9-11.3 H LEU 69 - HB3 LEU 103 far 0 89 0 - 9.8-14.2 H LEU 96 - HB3 LEU 103 far 0 76 0 - 9.9-13.6 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 1.8-3.1 7365=93, 3192/2.1=67...(22) HE22 GLN 68 - HG LEU 48 far 0 71 0 - 4.7-8.1 H LEU 53 - HG LEU 48 far 0 76 0 - 7.9-9.0 H VAL 118 - HG LEU 98 far 0 85 0 - 9.1-14.0 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 2.6-3.7 3.7=100 HA LEU 48 + HG LEU 48 OK 99 99 100 100 2.2-4.2 3.7=100 HA CYS 45 + HG LEU 48 OK 38 88 45 97 3.7-5.5 1438/3.0=41, 10886=40...(11) HA LEU 49 - HG LEU 48 far 0 99 0 - 5.1-6.3 HA ALA 52 - HG LEU 48 far 0 66 0 - 7.2-8.6 HA GLN 101 - HG LEU 98 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 3178 from cnoeabs.peaks (1.65, 1.71, 26.74 ppm; 4.35 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 95 + HG LEU 98 OK 45 100 60 75 3.8-7.2 5.0/11468=44...(12) HD3 LYS 95 + HG LEU 98 OK 33 99 45 75 3.6-7.4 5.0/11468=44...(11) HD3 LYS 26 - HG LEU 48 far 0 98 0 - 6.8-38.7 HD2 LYS 26 - HG LEU 48 far 0 97 0 - 8.4-39.7 HB2 LEU 69 - HG LEU 48 far 0 86 0 - 8.9-11.9 HG LEU 62 - HG LEU 48 far 0 99 0 - 9.7-11.5 HD3 LYS 24 - HG LEU 48 far 0 97 0 - 10.0-36.0 Violated in 0 structures by 0.00 A. Peak 3179 from cnoeabs.peaks (1.78, 1.71, 26.74 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 98 + HG LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 48 + HG LEU 48 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 LEU 122 - HG LEU 98 far 0 98 0 - 7.0-11.7 HB3 LYS 24 - HG LEU 48 far 0 58 0 - 7.0-36.5 HG LEU 100 - HG LEU 98 far 0 99 0 - 7.7-9.8 HB3 LEU 103 - HG LEU 98 far 0 99 0 - 7.9-12.9 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 7 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 70 - HG LEU 98 far 0 99 0 - 5.8-7.0 QD2 LEU 69 - HG LEU 48 far 0 98 0 - 5.9-8.6 QD2 LEU 123 - HG LEU 48 far 0 76 0 - 7.7-11.7 QG2 VAL 57 - HG LEU 48 far 0 99 0 - 8.2-9.4 QD2 LEU 69 - HG LEU 98 far 0 99 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3182 from cnoeabs.peaks (0.88, 1.71, 26.74 ppm; 3.07 A): 2 out of 9 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 QG1 VAL 118 - HG LEU 98 far 0 76 0 - 5.7-8.7 QD2 LEU 70 - HG LEU 98 far 0 83 0 - 5.8-7.0 QD2 LEU 69 - HG LEU 48 far 0 98 0 - 5.9-8.6 QD2 LEU 123 - HG LEU 48 far 0 97 0 - 7.7-11.7 QG2 VAL 57 - HG LEU 48 far 0 91 0 - 8.2-9.4 QD1 LEU 22 - HG LEU 48 far 0 84 0 - 8.3-34.4 QD2 LEU 69 - HG LEU 98 far 0 99 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3183 from cnoeabs.peaks (8.29, 1.71, 26.74 ppm; 4.38 A): 3 out of 5 assignments used, quality = 1.00: * H SER 99 + HG LEU 98 OK 100 100 100 100 1.9-4.7 7375/3176=62...(16) H LEU 49 + HG LEU 48 OK 95 95 100 100 4.3-5.0 6600=73, 6589/6586=65...(38) H LEU 96 + HG LEU 98 OK 68 89 80 96 4.3-5.9 3.6/11468=63...(17) H VAL 126 - HG LEU 98 far 0 100 0 - 8.6-11.5 H LEU 69 - HG LEU 48 far 0 98 0 - 9.0-10.8 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 2.1-4.1 3176/2.1=78, 2.9/3185=75...(26) H LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.6-3.7 3176/2.1=78, 7364/3.1=66...(17) H VAL 118 - QD1 LEU 98 far 0 85 0 - 6.9-11.8 H VAL 118 - QD2 LEU 98 far 0 32 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (4.11, 0.86, 23.66 ppm; 3.01 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 98 + QD1 LEU 98 OK 98 100 100 98 1.9-3.7 4.0=44, 3153/2.1=26...(23) HA LEU 98 + QD2 LEU 98 OK 29 44 70 94 1.9-4.1 4.0=44, 3153/2.1=25...(17) HA GLN 101 - QD2 LEU 98 far 0 44 0 - 6.3-8.9 HA GLN 101 - QD1 LEU 98 far 0 100 0 - 6.4-8.2 HA GLN 104 - QD1 LEU 98 far 0 89 0 - 10.0-13.0 Violated in 3 structures by 0.02 A. Peak 3186 from cnoeabs.peaks (1.65, 0.86, 23.66 ppm; 3.12 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.0-2.7 3.1=100 HD3 LYS 95 - QD2 LEU 98 poor 14 42 65 49 2.3-5.8 3.7/11442=13...(8) HD2 LYS 95 - QD2 LEU 98 poor 12 44 55 49 2.3-5.6 3.7/11442=13...(8) HD2 LYS 95 - QD1 LEU 98 far 5 100 5 - 4.0-7.7 HD3 LYS 95 - QD1 LEU 98 far 5 99 5 - 3.1-7.8 HB2 LEU 69 - QD1 LEU 98 far 0 89 0 - 9.7-13.6 QB ALA 88 - QD2 LEU 98 far 0 41 0 - 9.9-11.2 HB2 LEU 69 - QD2 LEU 98 far 0 34 0 - 10.0-13.4 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 8 assignments used, quality = 1.00: * HB3 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.0-3.2 3.1=100 HB3 LEU 103 - QD1 LEU 98 far 0 99 0 - 6.5-11.5 HG LEU 100 - QD1 LEU 98 far 0 99 0 - 7.1-9.3 HB3 LEU 122 - QD2 LEU 98 far 0 41 0 - 7.2-10.4 HB3 LEU 122 - QD1 LEU 98 far 0 98 0 - 7.3-10.9 HG LEU 100 - QD2 LEU 98 far 0 42 0 - 7.7-9.6 HB3 LEU 103 - QD2 LEU 98 far 0 42 0 - 8.5-11.7 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 HB3 LEU 70 - QD1 LEU 98 far 0 100 0 - 6.1-10.2 HB2 LEU 70 - QD1 LEU 98 far 0 100 0 - 6.7-11.1 HB3 LEU 70 - QD2 LEU 98 far 0 43 0 - 7.4-10.8 HB2 LEU 70 - QD2 LEU 98 far 0 44 0 - 8.4-11.3 HG3 ARG 90 - QD1 LEU 98 far 0 76 0 - 9.1-12.9 HG3 ARG 90 - QD2 LEU 98 far 0 28 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 3189 from cnoeabs.peaks (0.86, 0.86, 23.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 98 + QD1 LEU 98 OK 100 100 - 100 QD2 LEU 98 + QD2 LEU 98 OK 37 37 - 100 Peak 3190 from cnoeabs.peaks (0.88, 0.86, 23.66 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 98 + QD1 LEU 98 OK 93 93 - 100 QD2 LEU 98 + QD2 LEU 98 OK 44 44 - 100 Reference assignment not found: QD2 LEU 98 - QD1 LEU 98 Peak 3191 from cnoeabs.peaks (8.29, 0.86, 23.66 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: * H SER 99 + QD1 LEU 98 OK 99 100 100 99 3.0-4.7 3.6/3185=67, 3166/3.1=47...(18) H SER 99 + QD2 LEU 98 OK 44 44 100 99 3.7-4.7 3166/3.1=47, 7375/4.8=44...(19) H LEU 96 - QD2 LEU 98 poor 17 34 50 - 4.5-5.4 H LEU 96 - QD1 LEU 98 far 0 89 0 - 5.1-6.8 H VAL 126 - QD2 LEU 98 far 0 44 0 - 8.0-9.9 H VAL 126 - QD1 LEU 98 far 0 100 0 - 8.9-11.2 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 2.6-3.7 3176/2.1=85, 4.8=74...(17) H LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.1-4.1 3176/2.1=85, 4.8=74...(25) H VAL 118 - QD1 LEU 98 far 0 32 0 - 6.9-11.8 H VAL 118 - QD2 LEU 98 far 0 85 0 - 8.9-11.7 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 5 assignments used, quality = 1.00: * HA LEU 98 + QD2 LEU 98 OK 99 100 100 99 1.9-4.1 4.0=67, 2.9/3192=49...(17) HA LEU 98 + QD1 LEU 98 OK 44 44 100 100 1.9-3.7 4.0=67, 3153/2.1=34...(24) HA GLN 101 - QD2 LEU 98 far 0 100 0 - 6.3-8.9 HA GLN 101 - QD1 LEU 98 far 0 44 0 - 6.4-8.2 HA GLN 104 - QD1 LEU 98 far 0 34 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3194 from cnoeabs.peaks (1.65, 0.88, 24.02 ppm; 3.48 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 HD3 LYS 95 + QD2 LEU 98 OK 49 99 75 66 2.3-5.8 5.0/11470=29...(8) HD2 LYS 95 + QD2 LEU 98 OK 46 100 70 66 2.3-5.6 5.0/11470=29...(8) HB2 LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.1-3.2 3.1=100 HD3 LYS 95 - QD1 LEU 98 far 6 42 15 - 3.1-7.8 HD2 LYS 95 - QD1 LEU 98 far 4 44 10 - 4.0-7.7 HB2 LEU 69 - QD1 LEU 98 far 0 34 0 - 9.7-13.6 QB ALA 88 - QD2 LEU 98 far 0 98 0 - 9.9-11.2 HB2 LEU 69 - QD2 LEU 98 far 0 89 0 - 10.0-13.4 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 8 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.1-3.2 3.1=100 HB3 LEU 103 - QD1 LEU 98 far 0 42 0 - 6.5-11.5 HG LEU 100 - QD1 LEU 98 far 0 42 0 - 7.1-9.3 HB3 LEU 122 - QD2 LEU 98 far 0 98 0 - 7.2-10.4 HB3 LEU 122 - QD1 LEU 98 far 0 41 0 - 7.3-10.9 HG LEU 100 - QD2 LEU 98 far 0 99 0 - 7.7-9.6 HB3 LEU 103 - QD2 LEU 98 far 0 99 0 - 8.5-11.7 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 HB3 LEU 70 - QD1 LEU 98 far 0 43 0 - 6.1-10.2 HB2 LEU 70 - QD1 LEU 98 far 0 44 0 - 6.7-11.1 HB3 LEU 70 - QD2 LEU 98 far 0 100 0 - 7.4-10.8 HB2 LEU 70 - QD2 LEU 98 far 0 100 0 - 8.4-11.3 HG3 ARG 90 - QD1 LEU 98 far 0 28 0 - 9.1-12.9 HG3 ARG 90 - QD2 LEU 98 far 0 76 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 3197 from cnoeabs.peaks (0.86, 0.88, 24.02 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 98 + QD2 LEU 98 OK 93 93 - 100 QD1 LEU 98 + QD1 LEU 98 OK 44 44 - 100 Reference assignment not found: QD1 LEU 98 - QD2 LEU 98 Peak 3198 from cnoeabs.peaks (0.88, 0.88, 24.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 98 + QD2 LEU 98 OK 100 100 - 100 QD1 LEU 98 + QD1 LEU 98 OK 37 37 - 100 Peak 3199 from cnoeabs.peaks (8.29, 0.88, 24.02 ppm; 5.66 A): 4 out of 6 assignments used, quality = 1.00: * H SER 99 + QD2 LEU 98 OK 100 100 100 100 3.7-4.7 7375/3192=88...(21) H LEU 96 + QD2 LEU 98 OK 89 89 100 100 4.5-5.4 3.6/11470=96...(20) H SER 99 + QD1 LEU 98 OK 44 44 100 100 3.0-4.7 7375/4.8=76, 3166/3.1=74...(19) H LEU 96 + QD1 LEU 98 OK 27 34 80 96 5.1-6.8 3.6/11440=46...(17) H VAL 126 - QD2 LEU 98 far 0 100 0 - 8.0-9.9 H VAL 126 - QD1 LEU 98 far 0 44 0 - 8.9-11.2 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 4 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 96 - HA SER 99 far 0 89 0 - 7.4-8.4 H VAL 126 - HA SER 99 far 0 100 0 - 9.0-10.4 H GLY 111 - HA SER 99 far 0 97 0 - 9.5-17.8 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (4.22, 4.22, 62.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + HA SER 99 OK 100 100 - 100 Peak 3202 from cnoeabs.peaks (3.76, 4.22, 62.42 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 97 - HA SER 99 far 0 100 0 - 6.2-6.8 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 6 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 - HA SER 99 far 0 97 0 - 5.5-6.9 HA LYS 95 - HA SER 99 far 0 93 0 - 6.3-7.8 HB3 SER 106 - HA SER 99 far 0 65 0 - 6.3-10.7 HA LEU 119 - HA SER 99 far 0 83 0 - 7.3-8.7 HB2 SER 124 - HA SER 99 far 0 97 0 - 9.7-12.1 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 - 6.8-7.4 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 3.2-3.8 7443=100, 7455/3332=74...(15) 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 5 assignments used, quality = 1.00: * HB2 GLU 102 + HA SER 99 OK 100 100 100 100 2.3-4.4 3332=100, 1.8/3207=95...(11) HB VAL 118 + HA SER 99 OK 60 71 85 100 5.4-6.2 2.1/11482=90...(11) HG2 PRO 117 - HA SER 99 far 0 63 0 - 6.0-8.3 HB2 LEU 62 - HA SER 99 far 0 71 0 - 9.1-11.4 HB VAL 126 - HA SER 99 far 0 76 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3207 from cnoeabs.peaks (2.23, 4.22, 62.42 ppm; 4.32 A): 1 out of 5 assignments used, quality = 0.95: * HB3 GLU 102 + HA SER 99 OK 95 100 95 100 2.4-5.3 1.8/3332=86, 3.8/7443=54...(10) HB2 GLN 101 - HA SER 99 far 0 76 0 - 6.4-7.6 HB3 GLU 97 - HA SER 99 far 0 95 0 - 7.4-8.5 HB3 GLN 104 - HA SER 99 far 0 99 0 - 7.5-10.5 HB3 LEU 96 - HA SER 99 far 0 99 0 - 8.2-9.0 Violated in 13 structures by 0.32 A. Peak 3208 from cnoeabs.peaks (4.04, 3.76, 63.21 ppm; 3.93 A): 2 out of 8 assignments used, quality = 0.98: HA LEU 122 + HB2 SER 99 OK 90 99 95 96 2.1-5.0 3214/1.8=39...(28) * HA LEU 96 + HB2 SER 99 OK 77 100 95 81 3.1-5.0 3214/1.8=27, 7388/4.5=18...(16) HA LEU 119 - HB2 SER 99 far 0 90 0 - 5.1-7.3 HA LYS 95 - HB2 SER 99 far 0 78 0 - 5.4-8.2 HA LEU 103 - HB2 SER 99 far 0 71 0 - 6.1-8.3 HA GLU 102 - HB2 SER 99 far 0 98 0 - 7.4-8.6 HB3 SER 124 - HB2 SER 99 far 0 96 0 - 7.9-10.2 HA ALA 92 - HB2 SER 99 far 0 99 0 - 8.9-11.1 Violated in 2 structures by 0.02 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 2.1-3.5 3.7=100 H LEU 96 - HB2 SER 99 far 0 89 0 - 5.7-7.5 H VAL 126 - HB2 SER 99 far 0 100 0 - 6.1-8.1 Violated in 0 structures by 0.00 A. Peak 3210 from cnoeabs.peaks (4.22, 3.76, 63.21 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + HB2 SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 94 - HB2 SER 99 far 0 92 0 - 8.7-10.4 HA SER 124 - HB2 SER 99 far 0 76 0 - 8.7-10.6 HA HIS 67 - HB2 SER 99 far 0 100 0 - 8.9-11.2 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 LEU 119 - HB2 SER 99 far 0 83 0 - 5.1-7.3 HA LYS 95 - HB2 SER 99 far 0 93 0 - 5.4-8.2 HA LEU 103 - HB2 SER 99 far 0 97 0 - 6.1-8.3 HB2 SER 124 - HB2 SER 99 far 0 97 0 - 7.2-9.9 HB3 SER 124 - HB2 SER 99 far 0 73 0 - 7.9-10.2 HB3 SER 106 - HB2 SER 99 far 0 65 0 - 8.0-12.7 Violated in 0 structures by 0.00 A. Peak 3213 from cnoeabs.peaks (8.49, 3.76, 63.21 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB2 SER 99 OK 100 100 100 100 2.2-4.3 4.5=100 H GLU 97 + HB2 SER 99 OK 36 95 45 86 5.2-6.9 3.6/3208=36, 7385/3.7=35...(14) H LEU 70 - HB2 SER 99 far 0 78 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (4.04, 4.00, 63.21 ppm; 4.35 A): 2 out of 8 assignments used, quality = 0.99: HA LEU 122 + HB3 SER 99 OK 97 99 100 98 2.9-4.8 3208/1.8=47...(18) * HA LEU 96 + HB3 SER 99 OK 64 100 75 85 2.9-5.6 3208/1.8=40...(14) HA LYS 95 - HB3 SER 99 far 4 78 5 - 4.7-8.2 HA LEU 119 - HB3 SER 99 far 0 90 0 - 5.3-8.0 HA LEU 103 - HB3 SER 99 far 0 71 0 - 6.2-8.0 HA GLU 102 - HB3 SER 99 far 0 98 0 - 6.8-8.4 HB3 SER 124 - HB3 SER 99 far 0 96 0 - 7.9-10.5 HA ALA 92 - HB3 SER 99 far 0 99 0 - 8.5-11.7 Violated in 2 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 2.1-3.6 3.7=100 H LEU 96 - HB3 SER 99 far 0 89 0 - 5.0-8.2 H VAL 126 - HB3 SER 99 far 0 100 0 - 6.8-8.5 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 2.3-3.0 3.0=100 HA SER 94 - HB3 SER 99 far 0 92 0 - 7.8-10.9 HA HIS 67 - HB3 SER 99 far 0 100 0 - 9.0-11.9 HA SER 124 - HB3 SER 99 far 0 76 0 - 9.1-10.9 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 - 5.4-7.2 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 2.5-4.0 4.5=100 H GLU 97 - HB3 SER 99 far 9 95 10 - 5.0-7.6 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 2.7-2.9 2.9=100 H GLU 97 - HA LEU 100 far 0 95 0 - 7.0-7.7 H LEU 70 - HA LEU 100 far 0 78 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 3221 from cnoeabs.peaks (3.96, 3.96, 57.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 100 + HA LEU 100 OK 100 100 - 100 Peak 3222 from cnoeabs.peaks (1.82, 3.96, 57.71 ppm; 4.48 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + HA LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HA LEU 100 OK 55 60 95 97 2.1-5.7 1.8/3370=56, 3.9/3228=42...(16) HB3 LEU 122 + HA LEU 100 OK 45 63 75 96 3.3-6.7 3.1/11489=34...(29) HB3 LEU 123 - HA LEU 100 far 0 81 0 - 8.4-11.4 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 2.6-3.0 3.0=100 QB ALA 108 - HA LEU 100 far 0 100 0 - 6.3-12.0 HB2 LEU 96 - HA LEU 100 far 0 100 0 - 6.4-8.6 HG LEU 96 - HA LEU 100 far 0 87 0 - 6.4-7.8 QB ALA 109 - HA LEU 100 far 0 98 0 - 7.8-12.2 QB ALA 110 - HA LEU 100 far 0 100 0 - 9.2-15.2 Violated in 0 structures by 0.00 A. Peak 3224 from cnoeabs.peaks (1.78, 3.96, 57.71 ppm; 4.55 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 100 100 2.6-3.7 3.7=100 HB3 LEU 103 + HA LEU 100 OK 84 90 95 98 2.1-5.7 1.8/3370=57...(20) HB3 LEU 122 + HA LEU 100 OK 65 89 75 98 3.3-6.7 3.1/11489=35...(32) HB3 LEU 98 - HA LEU 100 far 0 99 0 - 7.2-8.4 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 1.8-2.5 3258=100, 3260/3.0=63...(28) QD2 LEU 62 - HA LEU 100 far 0 100 0 - 6.2-8.0 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 3.3-3.8 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 3.5-3.6 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 3.0-4.2 3.0/7445=84, 7463=74...(18) H ALA 108 - HA LEU 100 far 0 100 0 - 7.9-12.0 H ASN 120 - HA LEU 100 far 0 100 0 - 8.3-9.5 H ALA 109 - HA LEU 100 far 0 100 0 - 8.6-13.8 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 2.2-4.5 3370=60, 10066/7445=42...(18) HG LEU 122 + HA LEU 100 OK 57 65 90 97 2.6-5.4 2.1/11489=39, ~10026=26...(26) HG LEU 103 + HA LEU 100 OK 54 81 75 89 2.4-5.8 3.0/3370=42, 5.0/3228=31...(14) HG LEU 49 - HA LEU 100 far 0 100 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.79, 3.96, 57.71 ppm; 4.66 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 100 OK 94 100 95 99 2.1-5.7 1.8/3370=60...(21) HG LEU 100 + HA LEU 100 OK 90 90 100 100 2.6-3.7 3.7=100 HB3 LEU 122 + HA LEU 100 OK 79 100 80 98 3.3-6.7 3.1/11489=36...(33) HB2 LEU 100 + HA LEU 100 OK 60 60 100 100 2.4-3.0 3.0=100 HB3 LEU 98 - HA LEU 100 far 0 99 0 - 7.2-8.4 HB3 LEU 123 - HA LEU 100 far 0 38 0 - 8.4-11.4 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 2.1-4.2 3115=100, 10036/3.2=79...(26) HB2 SER 99 + HB2 LEU 100 OK 72 100 75 95 4.0-7.4 4.5/7397=49...(14) HB2 SER 99 - HB3 LEU 123 far 0 77 0 - 7.0-9.7 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 2.1-3.5 3.9=100 H GLU 97 - HB2 LEU 100 far 9 95 10 - 4.7-6.8 H LEU 70 - HB2 LEU 100 far 0 78 0 - 6.0-7.6 H LEU 100 - HB3 LEU 123 far 0 78 0 - 9.0-11.6 H ASP 47 - HB3 LEU 123 far 0 38 0 - 9.5-11.7 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 2.4-3.0 3.0=100 HA GLN 127 - HB3 LEU 123 far 0 74 0 - 7.1-8.6 HB3 SER 51 - HB3 LEU 123 far 0 57 0 - 7.8-10.8 HB2 SER 51 - HB3 LEU 123 far 0 59 0 - 8.1-10.8 HA LEU 100 - HB3 LEU 123 far 0 78 0 - 8.4-11.4 HA THR 65 - HB2 LEU 100 far 0 98 0 - 8.6-10.5 HB3 SER 107 - HB2 LEU 100 far 0 100 0 - 8.7-14.2 HB3 SER 106 - HB2 LEU 100 far 0 89 0 - 9.0-12.1 HB2 SER 106 - HB2 LEU 100 far 0 100 0 - 9.1-12.6 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 10 assignments used, quality = 1.00: * HB3 LEU 100 + HB2 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 - HB2 LEU 100 far 13 87 15 - 4.2-6.5 HB2 LEU 96 - HB2 LEU 100 far 5 100 5 - 4.2-7.9 HB2 LEU 96 - HB3 LEU 123 far 0 78 0 - 7.5-9.7 QB ALA 108 - HB2 LEU 100 far 0 100 0 - 8.2-13.7 HB3 LEU 100 - HB3 LEU 123 far 0 78 0 - 9.5-12.8 HG LEU 96 - HB3 LEU 123 far 0 61 0 - 9.6-11.1 HG3 LYS 95 - HB2 LEU 100 far 0 99 0 - 9.7-12.9 QB ALA 109 - HB2 LEU 100 far 0 98 0 - 9.8-14.3 HG2 LYS 95 - HB2 LEU 100 far 0 99 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (1.78, 1.82, 41.28 ppm; 4.35 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 122 + HB2 LEU 100 OK 44 89 50 99 2.7-7.7 7399/3.9=24, ~10337=23...(44) HB3 LEU 103 + HB2 LEU 100 OK 43 90 50 95 4.2-7.9 ~3370=30, 3261/3.2=25...(27) HB3 LEU 122 - HB3 LEU 123 poor 16 63 40 64 4.3-6.7 7744/3.9=37, ~11571=10...(11) HB3 LEU 98 - HB2 LEU 100 far 0 99 0 - 6.1-8.6 HG LEU 100 - HB3 LEU 123 far 0 78 0 - 7.3-10.6 HB2 LEU 48 - HB3 LEU 123 far 0 77 0 - 8.4-12.6 HB3 LEU 103 - HB3 LEU 123 far 0 64 0 - 9.5-12.5 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 2.1-3.2 3.2=100 QD2 LEU 62 - HB3 LEU 123 poor 19 77 40 61 4.1-6.2 10348/3.2=54, 11008/3.9=16 QD2 LEU 62 - HB2 LEU 100 far 0 100 0 - 6.3-8.9 QD2 LEU 100 - HB3 LEU 123 far 0 78 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 3238 from cnoeabs.peaks (0.60, 1.82, 41.28 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.2-3.1 3.2=100 QD1 LEU 100 - HB3 LEU 123 far 0 78 0 - 6.7-10.8 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 2.7-4.1 4.6=100 H LYS 95 - HB2 LEU 100 far 0 65 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (3.76, 1.38, 41.28 ppm; 5.05 A): 4 out of 5 assignments used, quality = 1.00: * HA GLU 97 + HB3 LEU 100 OK 100 100 100 100 2.0-4.0 3115/1.8=98...(27) HA GLU 97 + HB2 LEU 96 OK 87 87 100 100 5.0-5.4 11809/3.2=78...(41) HB2 SER 99 + HB3 LEU 100 OK 84 100 85 99 4.3-6.7 4.5/7398=67, 11477=47...(21) HB2 SER 99 + HB2 LEU 96 OK 54 86 65 96 4.6-6.7 3208/3.0=40, 11477=37...(17) HB3 SER 130 - HB2 LEU 96 far 0 79 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 3241 from cnoeabs.peaks (8.49, 1.38, 41.28 ppm; 4.37 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.1-3.5 3.9=100 H GLU 97 + HB2 LEU 96 OK 77 78 100 99 3.1-4.3 4.4=99 H GLU 97 + HB3 LEU 100 OK 61 95 65 100 4.5-6.8 ~3115=49, ~3115=46...(30) H LEU 100 - HB2 LEU 96 far 13 87 15 - 5.1-6.6 H LEU 70 - HB3 LEU 100 far 0 78 0 - 5.9-7.5 H LEU 70 - HB2 LEU 96 far 0 61 0 - 6.2-7.9 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 2.6-3.0 3.0=100 HA LEU 100 - HB2 LEU 96 far 0 87 0 - 6.4-8.6 HB3 SER 94 - HB2 LEU 96 far 0 80 0 - 6.7-9.1 HA GLN 127 - HB2 LEU 96 far 0 83 0 - 7.6-9.1 HA GLU 91 - HB2 LEU 96 far 0 67 0 - 8.0-10.7 HB3 SER 107 - HB3 LEU 100 far 0 100 0 - 8.9-14.1 HB3 SER 106 - HB3 LEU 100 far 0 89 0 - 9.2-12.9 HA THR 65 - HB3 LEU 100 far 0 98 0 - 9.3-10.4 HB2 SER 106 - HB3 LEU 100 far 0 100 0 - 9.7-13.2 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 10 assignments used, quality = 1.00: * HB2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 122 - HB3 LEU 100 poor 19 63 30 - 3.7-8.1 HB2 LEU 100 - HB2 LEU 96 far 4 87 5 - 4.2-7.9 HB3 LEU 103 - HB3 LEU 100 far 3 60 5 - 4.0-8.6 HB3 LEU 122 - HB2 LEU 96 far 2 48 5 - 4.0-6.2 HB VAL 93 - HB2 LEU 96 far 0 85 0 - 5.1-7.4 HB3 LEU 123 - HB2 LEU 96 far 0 64 0 - 7.5-9.7 HB3 LEU 103 - HB2 LEU 96 far 0 46 0 - 8.6-13.4 HB VAL 93 - HB3 LEU 100 far 0 99 0 - 9.5-11.9 HB3 LEU 123 - HB3 LEU 100 far 0 81 0 - 9.5-12.8 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 2.4-3.0 3.0=100 HB3 LEU 122 + HB3 LEU 100 OK 26 89 30 96 3.7-8.1 3.1/10337=26...(42) HB3 LEU 122 - HB2 LEU 96 poor 14 71 20 - 4.0-6.2 HB3 LEU 103 - HB3 LEU 100 far 9 90 10 - 4.0-8.6 HG LEU 100 - HB2 LEU 96 far 4 87 5 - 4.5-7.7 HB3 LEU 98 - HB3 LEU 100 far 0 99 0 - 6.2-7.9 HB3 LEU 98 - HB2 LEU 96 far 0 83 0 - 6.7-8.8 HB3 LEU 103 - HB2 LEU 96 far 0 73 0 - 8.6-13.4 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 2.3-3.2 3.2=100 QD2 LEU 100 - HB2 LEU 96 far 0 87 0 - 5.7-8.2 QD2 LEU 62 - HB3 LEU 100 far 0 100 0 - 7.5-9.3 QD2 LEU 62 - HB2 LEU 96 far 0 86 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (0.60, 1.38, 41.28 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.0-2.5 3.2=100 QD1 LEU 100 + HB2 LEU 96 OK 21 87 25 97 3.7-6.8 11488/3.0=48...(35) 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 4 assignments used, quality = 1.00: * H GLN 101 + HB3 LEU 100 OK 100 100 100 100 2.3-3.6 4.6=100 H LYS 95 - HB2 LEU 96 poor 18 50 35 - 4.1-6.0 H GLN 101 - HB2 LEU 96 far 0 87 0 - 7.2-8.6 H LYS 95 - HB3 LEU 100 far 0 65 0 - 8.4-10.7 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 2.7-4.6 3257/2.1=85, 7401/2.1=75...(36) H LEU 70 - HG LEU 100 far 12 78 15 - 4.2-7.9 H GLU 97 - HG LEU 100 far 0 95 0 - 5.3-7.3 Violated in 7 structures by 0.10 A. Peak 3250 from cnoeabs.peaks (3.96, 1.78, 26.11 ppm; 5.12 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 100 100 2.6-3.7 3.7=100 HA THR 65 - HG LEU 100 far 0 98 0 - 6.9-9.3 HB3 SER 107 - HG LEU 100 far 0 100 0 - 7.9-14.0 HB3 SER 106 - HG LEU 100 far 0 89 0 - 9.7-13.1 HB2 SER 106 - HG LEU 100 far 0 100 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (1.82, 1.78, 26.11 ppm; 4.35 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 122 + HG LEU 100 OK 46 63 75 98 2.3-6.3 1.8/3870=29, 3.1/3895=25...(33) HB3 LEU 103 + HG LEU 100 OK 23 60 50 75 4.2-8.2 ~11793=22, 3259/2.1=22...(13) HB3 LEU 123 - HG LEU 100 far 0 81 0 - 7.3-10.6 Violated in 0 structures by 0.00 A. Peak 3252 from cnoeabs.peaks (1.38, 1.78, 26.11 ppm; 4.56 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 96 + HG LEU 100 OK 50 87 60 96 4.0-6.5 11918/2.1=55...(23) HB2 LEU 96 + HG LEU 100 OK 30 100 30 98 4.5-7.7 ~11488=42, ~11918=39...(34) QB ALA 108 - HG LEU 100 far 0 100 0 - 9.3-14.2 QB ALA 29 - HG LEU 100 far 0 100 0 - 9.8-24.8 HG3 LYS 95 - HG LEU 100 far 0 99 0 - 10.0-12.7 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 - 5.7-7.6 Violated in 0 structures by 0.00 A. Peak 3255 from cnoeabs.peaks (0.60, 1.78, 26.11 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HG LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3257 from cnoeabs.peaks (8.49, 0.68, 23.54 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 100 + QD2 LEU 100 OK 100 100 100 100 3.7-4.1 7400=79, 2.9/3258=73...(26) H LEU 70 - QD2 LEU 100 far 0 78 0 - 5.0-7.1 H GLU 97 - QD2 LEU 100 far 0 95 0 - 6.3-7.3 H LEU 100 - QD2 LEU 62 far 0 66 0 - 7.6-9.7 H ASP 47 - QD2 LEU 62 far 0 31 0 - 8.4-10.4 H LEU 70 - QD2 LEU 62 far 0 45 0 - 9.0-10.6 Violated in 18 structures by 0.14 A. Peak 3258 from cnoeabs.peaks (3.96, 0.68, 23.54 ppm; 3.08 A): 1 out of 21 assignments used, quality = 0.99: * HA LEU 100 + QD2 LEU 100 OK 99 100 100 99 1.8-2.5 3225=72, 3.0/3260=47...(23) HB3 SER 107 - QD2 LEU 100 far 0 100 0 - 5.3-9.9 HA2 GLY 111 - QD2 LEU 62 far 0 31 0 - 5.8-12.5 HA THR 65 - QD2 LEU 100 far 0 98 0 - 5.9-6.9 HA THR 65 - QD2 LEU 62 far 0 62 0 - 5.9-7.5 HB2 SER 51 - QD2 LEU 62 far 0 50 0 - 6.2-7.7 HA LEU 100 - QD2 LEU 62 far 0 66 0 - 6.2-8.0 HB3 SER 51 - QD2 LEU 62 far 0 48 0 - 6.4-8.5 HA3 GLY 111 - QD2 LEU 62 far 0 54 0 - 6.4-12.8 HB2 SER 106 - QD2 LEU 100 far 0 100 0 - 7.0-10.8 HB3 SER 106 - QD2 LEU 100 far 0 89 0 - 7.2-10.6 HD3 PRO 113 - QD2 LEU 62 far 0 41 0 - 7.2-12.0 HB3 SER 107 - QD2 LEU 62 far 0 66 0 - 7.5-12.9 HA2 GLY 111 - QD2 LEU 100 far 0 57 0 - 8.0-14.2 HA3 GLY 111 - QD2 LEU 100 far 0 90 0 - 8.6-13.6 HD3 PRO 117 - QD2 LEU 62 far 0 62 0 - 8.7-11.5 HA GLN 127 - QD2 LEU 62 far 0 63 0 - 8.7-10.5 HD3 PRO 117 - QD2 LEU 100 far 0 98 0 - 8.9-10.6 HA GLN 127 - QD2 LEU 100 far 0 99 0 - 9.7-12.0 HB2 SER 106 - QD2 LEU 62 far 0 65 0 - 9.8-14.2 HB3 SER 106 - QD2 LEU 62 far 0 53 0 - 9.9-13.6 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 2.1-3.2 3.2=100 HB3 LEU 103 + QD2 LEU 100 OK 31 60 80 64 1.9-5.7 1.8/11881=13...(14) HB3 LEU 122 - QD2 LEU 100 poor 19 63 30 - 3.8-5.4 HB3 LEU 123 - QD2 LEU 62 far 2 47 5 - 4.1-6.2 HB3 LEU 122 - QD2 LEU 62 far 0 35 0 - 4.3-8.0 HB3 LEU 103 - QD2 LEU 62 far 0 33 0 - 5.5-8.3 HB2 LEU 100 - QD2 LEU 62 far 0 66 0 - 6.3-8.9 HB3 LEU 123 - QD2 LEU 100 far 0 81 0 - 6.6-8.9 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 17 assignments used, quality = 1.00: * HB3 LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.3-3.2 3.2=100 HG LEU 96 - QD2 LEU 100 far 0 87 0 - 5.0-7.1 HB2 LEU 96 - QD2 LEU 100 far 0 100 0 - 5.7-8.2 QB ALA 108 - QD2 LEU 100 far 0 100 0 - 6.5-10.9 QB ALA 109 - QD2 LEU 100 far 0 98 0 - 7.1-10.5 QB ALA 109 - QD2 LEU 62 far 0 62 0 - 7.2-11.0 HB3 LEU 100 - QD2 LEU 62 far 0 66 0 - 7.5-9.3 QB ALA 108 - QD2 LEU 62 far 0 65 0 - 7.7-12.0 QB ALA 110 - QD2 LEU 62 far 0 66 0 - 7.8-12.3 QB ALA 29 - QD2 LEU 100 far 0 100 0 - 7.9-21.0 QB ALA 110 - QD2 LEU 100 far 0 100 0 - 8.4-12.6 HB2 LEU 96 - QD2 LEU 62 far 0 66 0 - 8.5-11.0 HG LEU 96 - QD2 LEU 62 far 0 51 0 - 8.8-10.8 QB ALA 29 - QD2 LEU 62 far 0 66 0 - 8.8-23.3 QB ALA 28 - QD2 LEU 100 far 0 100 0 - 9.5-22.3 QB ALA 12 - QD2 LEU 100 far 0 83 0 - 9.7-33.4 QB ALA 15 - QD2 LEU 100 far 0 100 0 - 9.8-30.4 Violated in 5 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 42 90 80 58 1.9-5.7 10963/10974=12...(16) HB3 LEU 122 - QD2 LEU 100 far 4 89 5 - 3.8-5.4 HB3 LEU 122 - QD2 LEU 62 far 0 53 0 - 4.3-8.0 HB2 LEU 48 - QD2 LEU 62 far 0 66 0 - 4.9-9.9 HB3 LEU 103 - QD2 LEU 62 far 0 54 0 - 5.5-8.3 HG LEU 100 - QD2 LEU 62 far 0 66 0 - 5.7-7.6 HB3 LEU 98 - QD2 LEU 100 far 0 99 0 - 7.5-8.9 HB2 LEU 48 - QD2 LEU 100 far 0 100 0 - 7.7-11.9 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 - 5.1-7.5 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 3 assignments used, quality = 1.00: * H GLN 101 + QD2 LEU 100 OK 100 100 100 100 3.6-4.7 7413/2.1=82, 3.6/3258=82...(27) H GLN 101 - QD2 LEU 62 far 0 66 0 - 9.0-10.8 H LYS 95 - QD2 LEU 100 far 0 65 0 - 9.2-10.5 Violated in 5 structures by 0.02 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 3.3-4.3 7401=89, 3257/2.1=79...(30) H LEU 70 + QD1 LEU 100 OK 77 78 100 98 3.5-4.6 11094=54, 4.4/11493=41...(15) H GLU 97 + QD1 LEU 100 OK 33 95 35 99 4.1-6.3 2.8/10036=64...(26) H ASP 47 - QD1 LEU 100 far 0 57 0 - 9.2-11.8 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 7 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.3-3.8 4.0=100 HA THR 65 - QD1 LEU 100 far 0 98 0 - 5.7-7.0 HB3 SER 107 - QD1 LEU 100 far 0 100 0 - 7.4-11.7 HB3 SER 106 - QD1 LEU 100 far 0 89 0 - 8.4-12.5 HA GLN 127 - QD1 LEU 100 far 0 99 0 - 8.5-12.1 HB2 SER 106 - QD1 LEU 100 far 0 100 0 - 8.7-12.8 HB3 SER 94 - QD1 LEU 100 far 0 97 0 - 9.0-10.8 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 2.2-3.1 3.2=100 HB3 LEU 122 - QD1 LEU 100 far 9 63 15 - 2.9-7.0 HB3 LEU 103 - QD1 LEU 100 far 9 60 15 - 4.0-8.2 HB3 LEU 123 - QD1 LEU 100 far 0 81 0 - 6.7-10.8 HB VAL 93 - QD1 LEU 100 far 0 99 0 - 7.8-9.9 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 12 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-2.5 3.2=100 HG LEU 96 + QD1 LEU 100 OK 45 87 55 95 2.5-5.4 3.7/11488=30, 11918=27...(33) HB2 LEU 96 - QD1 LEU 100 far 10 100 10 - 3.7-6.8 QB ALA 29 - QD1 LEU 100 far 0 100 0 - 6.9-19.5 QB ALA 108 - QD1 LEU 100 far 0 100 0 - 7.4-12.7 QB ALA 109 - QD1 LEU 100 far 0 98 0 - 8.7-12.3 QB ALA 12 - QD1 LEU 100 far 0 83 0 - 8.9-31.6 HG3 LYS 95 - QD1 LEU 100 far 0 99 0 - 9.1-11.3 QB ALA 28 - QD1 LEU 100 far 0 100 0 - 9.2-21.4 HG2 LYS 95 - QD1 LEU 100 far 0 99 0 - 9.3-11.8 QB ALA 110 - QD1 LEU 100 far 0 100 0 - 9.6-14.7 QB ALA 15 - QD1 LEU 100 far 0 100 0 - 9.6-28.4 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 9 89 10 - 2.9-7.0 HB3 LEU 103 - QD1 LEU 100 far 5 90 5 - 4.0-8.2 HB3 LEU 98 - QD1 LEU 100 far 0 99 0 - 6.8-8.6 HB2 LEU 48 - QD1 LEU 100 far 0 100 0 - 7.7-11.7 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 - 5.1-7.5 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 3 assignments used, quality = 1.00: * H GLN 101 + QD1 LEU 100 OK 100 100 100 100 3.1-4.9 7415=100, 7413/2.1=98...(30) H LYS 95 - QD1 LEU 100 far 0 65 0 - 7.3-9.5 H CYS 45 - QD1 LEU 100 far 0 98 0 - 9.4-11.5 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 2.7-2.9 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): 2 out of 7 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 OK 29 90 35 91 2.9-5.7 7494/3282=37...(13) HB2 GLN 104 - HA GLN 101 poor 18 89 20 - 4.1-5.6 HB3 GLU 97 - HA GLN 101 far 0 97 0 - 4.9-7.9 HB3 GLU 102 - HA GLN 101 far 0 76 0 - 5.5-6.6 HB VAL 133 - HA CYS 79 far 0 71 0 - 8.6-12.0 HB3 LEU 96 - HA GLN 101 far 0 57 0 - 10.0-11.7 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 2.4-3.0 3.0=100 HG2 GLU 97 - HA GLN 101 far 0 60 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 3277 from cnoeabs.peaks (2.42, 4.10, 58.80 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HA GLN 101 OK 100 100 100 100 2.5-3.7 3.8=82, 1.8/3278=67...(15) HG3 GLU 97 - HA GLN 101 far 0 100 0 - 7.1-9.2 HG3 GLN 82 - HA CYS 79 far 0 51 0 - 9.5-12.5 Violated in 14 structures by 0.07 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 2.5-3.8 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 2 assignments used, quality = 1.00: * H GLU 102 + HA GLN 101 OK 100 100 100 100 3.4-3.6 3.5=100 H GLN 68 - HA GLN 101 far 0 95 0 - 8.9-11.3 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 = 0.99: * H GLN 104 + HA GLN 101 OK 99 100 100 99 3.1-4.5 7482=51, 7483/3.5=45...(13) H SER 106 - HA GLN 101 far 5 100 5 - 5.1-6.9 HD22 ASN 116 - HA GLN 101 far 0 83 0 - 8.9-12.7 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 5 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 15 100 15 - 4.1-5.6 HB3 GLU 97 - HA GLN 101 far 0 65 0 - 4.9-7.9 HB VAL 133 - HA CYS 79 far 0 84 0 - 8.6-12.0 HB3 LEU 69 - HA GLN 101 far 0 73 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (2.22, 4.10, 58.80 ppm; 3.92 A): 2 out of 5 assignments used, quality = 0.93: HB2 GLN 101 + HA GLN 101 OK 90 90 100 100 2.3-2.5 3.0=100 * HB3 GLN 104 + HA GLN 101 OK 32 100 35 93 2.9-5.7 7494/3282=43...(12) HB3 GLU 97 - HA GLN 101 far 0 99 0 - 4.9-7.9 HB3 GLU 102 - HA GLN 101 far 0 99 0 - 5.5-6.6 HB3 LEU 96 - HA GLN 101 far 0 93 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3285 from cnoeabs.peaks (4.11, 2.21, 27.91 ppm; 3.85 A): 2 out of 7 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 OK 45 100 45 99 4.3-5.1 3157/1.8=72...(17) HA CYS 45 - HB2 GLN 68 far 0 41 0 - 5.1-7.5 HA GLN 104 - HB2 GLN 101 far 0 89 0 - 7.0-8.8 HA ILE 32 - HB2 GLN 68 far 0 51 0 - 7.6-16.9 HA LEU 49 - HB2 GLN 68 far 0 51 0 - 8.1-11.2 HA LEU 48 - HB2 GLN 68 far 0 51 0 - 9.6-11.9 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 2.8-3.7 7417=100, 7418/1.8=83...(29) H CYS 45 - HB2 GLN 68 far 0 48 0 - 5.8-8.6 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (4.10, 2.21, 27.91 ppm; 3.86 A): 2 out of 7 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 OK 45 100 45 99 4.3-5.1 3157/1.8=72...(17) HA CYS 45 - HB2 GLN 68 far 0 37 0 - 5.1-7.5 HA GLN 104 - HB2 GLN 101 far 0 93 0 - 7.0-8.8 HA ILE 32 - HB2 GLN 68 far 0 49 0 - 7.6-16.9 HA LEU 49 - HB2 GLN 68 far 0 50 0 - 8.1-11.2 HA LEU 48 - HB2 GLN 68 far 0 49 0 - 9.6-11.9 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, 2123/3.0=25...(17) HG2 GLU 97 - HB2 GLN 101 far 0 60 0 - 4.9-9.3 HG2 GLN 61 - HB2 GLN 68 far 0 37 0 - 8.1-13.1 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 4 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 - 6.2-8.7 HG3 GLN 61 - HB2 GLN 68 far 0 47 0 - 8.9-14.0 HG3 GLU 97 - HB2 GLN 68 far 0 51 0 - 9.7-14.4 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 2.3-3.0 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 4.0-4.7 4.5=100 QE TYR 72 + HB2 GLN 68 OK 43 43 100 100 1.9-5.8 9550/1.8=90, 9549/3.0=86...(17) 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 2 assignments used, quality = 1.00: * HE22 GLN 101 + HB2 GLN 101 OK 100 100 100 100 3.3-4.5 4.5=100 QE PHE 89 - HB2 GLN 68 far 0 35 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (7.85, 2.21, 27.91 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 102 + HB2 GLN 101 OK 100 100 100 100 3.8-4.4 7449/1.8=90, 3.1/7417=75...(18) H GLN 68 + HB2 GLN 68 OK 44 44 100 100 2.1-3.6 3.7=100 H GLN 68 - HB2 GLN 101 far 0 95 0 - 9.9-13.5 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 2.4-3.0 3.0=100 * HA LEU 98 + HB3 GLN 101 OK 95 100 95 100 3.0-5.1 3157=95, 3155/7418=44...(18) HA GLN 104 - HB3 GLN 101 far 0 89 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (7.68, 2.30, 27.91 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.3-3.5 7418=100, 7417/1.8=84...(29) H LYS 95 - HB3 GLN 101 far 0 65 0 - 9.2-12.0 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 2.4-3.0 3.0=100 HA LEU 98 + HB3 GLN 101 OK 95 100 95 100 3.0-5.1 3157=95, 3155/7418=44...(18) HA GLN 104 - HB3 GLN 101 far 0 93 0 - 7.8-9.1 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 lone 5 97 35 15 3.1-7.8 3156/3157=9, 7428/7429=2...(4) HB3 GLU 102 - HB3 GLN 101 far 0 76 0 - 4.9-7.2 HB3 GLN 104 - HB3 GLN 101 far 0 90 0 - 5.7-8.4 HB2 GLN 104 - HB3 GLN 101 far 0 89 0 - 6.2-8.4 HB3 LEU 96 - HB3 GLN 101 far 0 57 0 - 8.5-12.2 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 - 4.8-8.6 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 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3304 from cnoeabs.peaks (7.85, 2.30, 27.91 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + HB3 GLN 101 OK 100 100 100 100 2.6-4.0 7449=100, 3.1/7418=71...(18) H GLN 68 - HB3 GLN 101 far 0 95 0 - 9.0-13.6 Violated in 0 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (7.68, 2.42, 33.80 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.0-3.8 7419=95, 3314/1.8=78...(27) H LYS 95 - HG2 GLN 101 far 0 65 0 - 8.8-11.1 Violated in 7 structures by 0.04 A. Peak 3306 from cnoeabs.peaks (4.10, 2.42, 33.80 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.5-3.7 3277=84, 3278/1.8=56...(14) HA LEU 98 + HG2 GLN 101 OK 92 100 95 97 1.9-4.2 3157/2.9=40, 3315/1.8=35...(15) HA ALA 52 - HG3 GLN 61 far 0 46 0 - 4.6-6.6 HA LEU 49 - HG3 GLN 61 far 0 86 0 - 4.8-8.6 HA ILE 80 - HG2 GLN 82 far 0 40 0 - 6.7-9.2 HA LEU 48 - HG3 GLN 61 far 0 85 0 - 7.5-11.1 HA GLN 104 - HG2 GLN 101 far 0 93 0 - 7.6-10.1 HA3 GLY 114 - HG3 GLN 61 far 0 64 0 - 9.4-19.1 HA CYS 45 - HG3 GLN 61 far 0 68 0 - 9.7-13.2 HA PHE 89 - HG2 GLN 82 far 0 48 0 - 9.8-13.1 Violated in 5 structures by 0.02 A. Peak 3307 from cnoeabs.peaks (2.21, 2.42, 33.80 ppm; 3.04 A): 2 out of 10 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 2.2-3.0 2.9=100 HB3 GLU 97 - HG2 GLN 101 poor 8 97 25 33 3.6-6.8 3.0/3112=8, 3156/3306=6...(9) HB3 GLU 102 - HG2 GLN 101 far 0 76 0 - 4.5-8.1 HB3 GLN 104 - HG2 GLN 101 far 0 90 0 - 5.2-9.2 HB2 GLN 104 - HG2 GLN 101 far 0 89 0 - 6.4-8.9 HG2 GLN 68 - HG3 GLN 61 far 0 55 0 - 8.7-12.4 HB VAL 133 - HG2 GLN 82 far 0 49 0 - 8.8-12.4 HB3 LEU 96 - HG2 GLN 101 far 0 57 0 - 8.9-11.0 HB2 GLN 68 - HG3 GLN 61 far 0 78 0 - 8.9-14.0 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 7 assignments used, quality = 1.00: * HB3 GLN 101 + HG2 GLN 101 OK 99 100 100 99 2.2-3.0 2.9=91, 3.0/3277=35...(11) 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 - 5.0-8.8 HB VAL 132 - HG2 GLN 82 far 0 44 0 - 9.0-11.9 HG3 GLN 68 - HG3 GLN 61 far 0 60 0 - 9.2-13.5 HB3 PRO 113 - HG3 GLN 61 far 0 53 0 - 9.3-16.8 HB3 GLN 134 - HG2 GLN 82 far 0 29 0 - 9.7-13.3 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 3.4-4.0 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 2.1-3.4 3.5=100 QE PHE 89 - HG2 GLN 82 far 0 42 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 3313 from cnoeabs.peaks (7.85, 2.42, 33.80 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 102 + HG2 GLN 101 OK 100 100 100 100 2.1-4.6 7450=100, 7451/1.8=90...(21) H ALA 88 - HG2 GLN 82 far 0 58 0 - 8.1-10.8 H GLN 68 - HG2 GLN 101 far 0 95 0 - 9.3-13.9 H GLN 68 - HG3 GLN 61 far 0 78 0 - 9.3-12.1 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 2.0-2.7 7420=94, 3305/1.8=67...(25) H LYS 95 - HG3 GLN 101 far 0 65 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 3315 from cnoeabs.peaks (4.10, 2.56, 33.80 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.5-3.8 3278=69, 3277/1.8=67...(17) HA LEU 98 + HG3 GLN 101 OK 98 100 100 98 1.9-3.6 3157/2.9=42, 3306/1.8=35...(17) HA GLN 104 - HG3 GLN 101 far 0 93 0 - 8.4-9.8 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 2.3-3.0 2.9=100 HB3 GLU 97 - HG3 GLN 101 poor 19 97 20 - 3.5-5.6 HB3 GLU 102 - HG3 GLN 101 far 0 76 0 - 5.0-8.0 HB3 GLN 104 - HG3 GLN 101 far 0 90 0 - 6.3-9.3 HB2 GLN 104 - HG3 GLN 101 far 0 89 0 - 7.6-9.1 HB3 LEU 96 - HG3 GLN 101 far 0 57 0 - 8.8-10.1 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 2.3-3.0 2.9=100 HG2 GLU 97 - HG3 GLN 101 far 3 60 5 - 3.5-7.7 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 - 4.7-7.2 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 3.5-4.0 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 2.2-3.3 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 1.9-4.5 7451=100, 7450/1.8=78...(20) Violated in 1 structures by 0.00 A. Peak 3323 from cnoeabs.peaks (7.85, 4.05, 58.39 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 102 + HA GLU 102 OK 100 100 100 100 2.7-2.9 2.9=100 H GLU 102 - HA LEU 122 far 0 99 0 - 7.4-9.8 H GLU 102 - HA LEU 96 far 0 75 0 - 7.5-9.0 H GLN 68 - HA LEU 122 far 0 92 0 - 9.7-12.4 H GLN 68 - HA LEU 96 far 0 66 0 - 10.0-12.2 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 17 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 126 + HA LEU 122 OK 20 73 30 93 4.4-5.8 2.1/11604=48...(17) HB VAL 126 - HA LEU 96 far 0 49 0 - 5.8-7.1 HB VAL 118 - HA GLU 102 far 0 71 0 - 6.4-8.8 HB VAL 118 - HA LEU 122 far 0 68 0 - 7.1-8.4 HB2 GLN 127 - HA LEU 122 far 0 68 0 - 7.3-9.5 HB2 GLU 128 - HA LEU 96 far 0 75 0 - 7.4-8.5 HB2 GLU 128 - HA LEU 122 far 0 99 0 - 7.6-8.7 HB2 GLU 102 - HA LEU 122 far 0 99 0 - 7.7-11.0 HB2 GLU 102 - HA LEU 96 far 0 75 0 - 8.0-9.9 HB VAL 118 - HA LEU 96 far 0 46 0 - 8.1-10.0 HG2 PRO 117 - HA GLU 102 far 0 63 0 - 8.5-10.8 HB2 LEU 62 - HA LEU 122 far 0 68 0 - 8.6-10.5 HB2 GLN 127 - HA LEU 96 far 0 46 0 - 8.8-11.1 HG3 GLU 91 - HA LEU 96 far 0 42 0 - 9.1-10.4 HG2 PRO 117 - HA LEU 122 far 0 60 0 - 9.7-11.1 HB2 LEU 62 - HA GLU 102 far 0 71 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 3326 from cnoeabs.peaks (2.23, 4.05, 58.39 ppm; 3.82 A): 3 out of 17 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 96 + HA LEU 96 OK 72 72 100 100 2.2-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 51 97 55 95 3.1-5.4 3.2/3100=22, 1.8/3067=22...(45) HB2 GLN 101 - HA GLU 102 far 11 76 15 - 4.5-5.7 HB3 GLN 104 - HA GLU 102 far 0 99 0 - 5.8-7.6 HB3 GLU 97 - HA LEU 96 far 0 66 0 - 5.8-6.6 HB3 GLN 127 - HA LEU 122 far 0 99 0 - 7.2-9.8 HB3 GLU 128 - HA LEU 122 far 0 98 0 - 7.8-10.3 HB3 GLU 128 - HA LEU 96 far 0 74 0 - 7.8-10.0 HB3 GLU 97 - HA LEU 122 far 0 92 0 - 7.9-9.4 HB3 GLU 102 - HA LEU 122 far 0 99 0 - 8.1-12.0 HB3 GLU 102 - HA LEU 96 far 0 75 0 - 8.3-11.5 HB3 GLN 127 - HA LEU 96 far 0 74 0 - 8.4-10.8 HB3 GLU 97 - HA GLU 102 far 0 95 0 - 8.6-11.2 HB2 GLN 101 - HA LEU 96 far 0 49 0 - 9.4-10.4 HG2 GLU 91 - HA LEU 96 far 0 75 0 - 9.5-10.8 HG2 GLN 68 - HA LEU 122 far 0 99 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3327 from cnoeabs.peaks (2.36, 4.05, 58.39 ppm; 3.94 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.2-3.8 3.7=100 HG2 GLN 104 + HA GLU 102 OK 39 76 70 73 4.1-5.4 5.0/7518=33...(6) HG2 GLU 128 - HA LEU 122 far 0 87 0 - 6.6-11.3 HG2 GLU 128 - HA LEU 96 far 0 62 0 - 6.8-10.6 HG2 GLU 102 - HA LEU 122 far 0 99 0 - 7.4-12.1 HG2 GLU 102 - HA LEU 96 far 0 75 0 - 7.7-11.2 HG2 GLN 127 - HA LEU 122 far 0 98 0 - 7.7-9.7 HG2 GLN 127 - HA LEU 96 far 0 74 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3328 from cnoeabs.peaks (2.52, 4.05, 58.39 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 GLU 102 - HA LEU 122 far 0 99 0 - 6.5-11.3 HG3 GLU 102 - HA LEU 96 far 0 75 0 - 7.4-10.2 HG3 MET 11 - HA GLU 102 far 0 100 0 - 9.9-56.5 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 3.4-3.6 3.6=100 H ALA 108 - HA GLU 102 far 5 100 5 - 4.4-9.5 H ASN 120 - HA LEU 122 far 0 98 0 - 6.8-7.3 H ALA 109 - HA GLU 102 far 0 100 0 - 7.1-12.3 H LEU 103 - HA LEU 122 far 0 99 0 - 7.5-9.5 H LEU 103 - HA LEU 96 far 0 75 0 - 7.9-9.6 H ASN 120 - HA LEU 96 far 0 74 0 - 9.0-10.3 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 3 assignments used, quality = 1.00: * H VAL 105 + HA GLU 102 OK 100 100 100 100 3.4-4.2 7518=100, 3478/10086=96...(9) HD21 ASN 120 - HA LEU 122 far 0 87 0 - 7.1-10.7 HD21 ASN 120 - HA LEU 96 far 0 62 0 - 8.9-14.0 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 6 assignments used, quality = 0.98: * HB VAL 105 + HA GLU 102 OK 95 100 95 100 4.0-5.0 3465=97, 2.1/10086=89...(12) HB3 LEU 96 + HA LEU 122 OK 41 57 75 95 3.1-5.4 1.8/3067=24, 3.2/3100=24...(45) HB3 LEU 96 + HA LEU 96 OK 38 38 100 100 2.2-2.9 3.0=100 HG2 GLU 97 - HA LEU 96 far 0 73 0 - 5.2-6.8 HG2 GLU 97 - HA LEU 122 far 0 98 0 - 7.0-8.8 HG2 GLU 97 - HA GLU 102 far 0 99 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 3332 from cnoeabs.peaks (4.22, 2.08, 28.58 ppm; 4.27 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 99 + HB2 GLU 102 OK 99 100 100 99 2.3-4.4 3207/1.8=77, 3206=66...(10) HA GLU 128 + HB2 GLU 128 OK 72 72 100 100 2.7-3.0 3.0=100 HA SER 124 - HB2 GLU 128 poor 18 68 35 76 4.7-7.3 4.9/3986=44, 7838/3.6=28...(6) HB THR 25 - HB2 GLN 61 far 0 60 0 - 6.0-39.8 HA ALA 88 - HB2 GLU 128 far 0 85 0 - 6.6-9.2 HB THR 25 - HB3 GLN 61 far 0 50 0 - 7.3-40.4 HB3 SER 38 - HB3 GLU 44 far 0 79 0 - 7.8-10.9 HA VAL 105 - HB2 GLU 102 far 0 65 0 - 7.9-8.5 HB THR 25 - HB3 GLU 44 far 0 67 0 - 8.4-31.7 HA SER 51 - HB3 GLN 61 far 0 61 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 3333 from cnoeabs.peaks (7.85, 2.08, 28.58 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.4 3.8=100 H ALA 88 - HB3 GLN 82 far 0 79 0 - 7.5-9.9 H ALA 88 - HB2 GLU 128 far 0 93 0 - 8.6-11.4 H GLN 68 - HB3 GLN 61 far 0 54 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (4.05, 2.08, 28.58 ppm; 4.97 A): 4 out of 14 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 44 + HB3 GLU 44 OK 81 81 100 100 2.5-3.0 3.0=100 HA ALA 92 + HB2 GLU 128 OK 71 95 75 100 4.3-6.2 2.1/10444=87, ~10447=58...(25) HD3 PRO 81 + HB3 GLN 82 OK 27 72 40 93 4.5-6.8 11189/4.0=43, ~11264=40...(10) HB THR 65 - HB3 GLN 61 poor 10 51 20 - 4.5-7.4 HB THR 65 - HB2 GLN 61 far 3 62 5 - 5.4-8.1 HB3 SER 124 - HB2 GLU 128 far 0 72 0 - 6.5-8.7 HA LEU 96 - HB2 GLU 128 far 0 91 0 - 7.4-8.5 HA LEU 122 - HB2 GLU 128 far 0 95 0 - 7.6-8.7 HA LEU 122 - HB2 GLU 102 far 0 100 0 - 7.7-11.0 HA LEU 119 - HB2 GLU 102 far 0 71 0 - 7.9-11.3 HA LEU 96 - HB2 GLU 102 far 0 98 0 - 8.0-9.9 HA LEU 119 - HB2 GLN 61 far 0 45 0 - 8.2-11.5 HA LEU 119 - HB3 GLN 61 far 0 36 0 - 8.4-9.9 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 HG2 GLU 91 - HB2 GLU 128 far 0 95 0 - 4.4-7.9 HB3 GLN 127 - HB2 GLU 128 far 0 95 0 - 4.5-6.4 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-7.2 HB2 PRO 81 - HB3 GLN 82 far 0 48 0 - 5.2-6.9 HB3 LEU 96 - HB2 GLU 128 far 0 93 0 - 5.8-7.3 HB3 GLN 104 - HB2 GLU 102 far 0 99 0 - 6.9-9.3 HB2 GLN 68 - HB3 GLU 44 far 0 75 0 - 7.6-10.6 HB3 GLU 97 - HB2 GLU 102 far 0 95 0 - 8.0-11.0 HG2 GLN 68 - HB3 GLU 44 far 0 81 0 - 8.3-10.8 HB3 GLN 104 - HB3 GLN 61 far 0 59 0 - 9.5-11.4 HG2 GLN 68 - HB3 GLN 61 far 0 61 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 3337 from cnoeabs.peaks (2.36, 2.08, 28.58 ppm; 4.25 A): 3 out of 9 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 82 82 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 58 58 100 100 2.2-3.0 3.0=100 HG2 GLN 104 - HB2 GLU 102 far 0 76 0 - 5.9-6.9 HG2 GLN 127 - HB2 GLU 128 far 0 94 0 - 6.7-8.0 HB3 GLN 134 - HB3 GLN 82 far 0 42 0 - 8.2-13.8 HB2 PRO 117 - HB2 GLU 102 far 0 100 0 - 8.9-12.1 HB3 GLN 134 - HB2 GLU 128 far 0 53 0 - 9.7-13.1 HB VAL 77 - HB2 GLU 128 far 0 65 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 3338 from cnoeabs.peaks (2.52, 2.08, 28.58 ppm; 5.54 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 70 70 100 100 2.2-2.9 3.0=100 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 10 assignments used, quality = 1.00: * H LEU 103 + HB2 GLU 102 OK 100 100 100 100 2.9-4.2 4.6=100 HD22 ASN 85 + HB3 GLN 82 OK 81 81 100 100 2.0-4.7 9805=100, 1.7/9798=68...(19) H ALA 108 - HB2 GLU 102 far 0 100 0 - 5.6-10.9 H THR 25 - HB2 GLN 61 far 0 52 0 - 6.2-38.4 H THR 25 - HB3 GLN 61 far 0 43 0 - 7.9-39.5 H ALA 109 - HB2 GLU 102 far 0 100 0 - 7.9-13.1 H ASN 120 - HB2 GLU 102 far 0 100 0 - 8.6-11.8 H THR 25 - HB3 GLU 44 far 0 58 0 - 9.1-29.8 H ALA 109 - HB3 GLN 61 far 0 61 0 - 9.2-15.6 H ALA 109 - HB2 GLN 61 far 0 73 0 - 9.9-13.9 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 14 assignments used, quality = 1.00: * HA SER 99 + HB3 GLU 102 OK 100 100 100 100 2.4-5.3 3207=100, 3332/1.8=91...(10) HA GLU 128 + HB3 GLU 128 OK 70 70 100 100 2.2-2.9 3.0=100 HA SER 94 + HB3 GLU 97 OK 70 70 100 100 3.4-5.1 3117/1.8=85...(11) HA HIS 67 - HB3 GLU 97 far 8 82 10 - 4.9-8.0 HA HIS 67 - HB2 GLN 68 far 0 61 0 - 5.5-6.6 HA SER 124 - HB3 GLU 128 far 0 66 0 - 5.5-7.4 HA ALA 29 - HB2 GLN 68 far 0 55 0 - 6.5-21.1 HA ALA 88 - HB3 GLU 128 far 0 83 0 - 6.6-9.0 HA VAL 105 - HB3 GLU 102 far 0 65 0 - 6.9-8.4 HA SER 99 - HB3 GLU 97 far 0 82 0 - 7.4-8.5 HA ALA 28 - HB2 GLN 68 far 0 44 0 - 8.0-23.8 HA GLU 30 - HB2 GLN 68 far 0 58 0 - 9.1-22.8 HA ALA 34 - HB2 GLN 68 far 0 58 0 - 9.4-14.1 HB THR 25 - HB2 GLN 68 far 0 49 0 - 9.5-29.8 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 2.2-3.6 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 - 6.3-8.6 H GLN 68 - HB3 GLU 97 far 0 73 0 - 8.1-11.5 H ALA 88 - HB3 GLU 128 far 0 91 0 - 8.5-11.1 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 17 assignments used, quality = 1.00: * HA GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 92 - HB3 GLU 128 far 5 93 5 - 4.3-6.7 HB THR 65 - HB2 GLN 68 far 0 51 0 - 4.9-8.2 HB2 SER 74 - HB3 GLU 97 far 0 66 0 - 5.4-10.4 HA LEU 96 - HB3 GLU 97 far 0 77 0 - 5.8-6.6 HB3 SER 74 - HB3 GLU 97 far 0 65 0 - 6.8-11.9 HB3 SER 124 - HB3 GLU 128 far 0 70 0 - 6.9-8.8 HA LEU 122 - HB3 GLU 128 far 0 93 0 - 7.8-10.3 HA LEU 119 - HB3 GLU 102 far 0 71 0 - 7.8-11.1 HA LEU 96 - HB3 GLU 128 far 0 89 0 - 7.8-10.0 HA LEU 122 - HB3 GLU 97 far 0 82 0 - 7.9-9.4 HA LEU 122 - HB3 GLU 102 far 0 100 0 - 8.1-12.0 HA LEU 96 - HB3 GLU 102 far 0 98 0 - 8.3-11.5 HA GLU 102 - HB3 GLU 97 far 0 82 0 - 8.6-11.2 HA ALA 92 - HB3 GLU 97 far 0 81 0 - 8.7-10.3 HA GLU 44 - HB2 GLN 68 far 0 61 0 - 9.2-11.7 HB3 SER 74 - HB2 GLN 68 far 0 47 0 - 9.5-11.9 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 13 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 HB VAL 118 - HB3 GLU 102 far 0 71 0 - 4.5-7.8 HB2 GLN 127 - HB3 GLU 128 far 0 61 0 - 4.6-6.1 HG3 GLU 91 - HB3 GLU 128 far 0 56 0 - 5.6-7.5 HG2 PRO 117 - HB3 GLU 102 far 0 63 0 - 6.0-8.9 HB VAL 126 - HB3 GLU 128 far 0 66 0 - 6.7-8.6 HB3 GLU 44 - HB2 GLN 68 far 0 60 0 - 7.6-10.6 HB2 GLU 102 - HB3 GLU 97 far 0 82 0 - 8.0-11.0 HB2 LEU 62 - HB3 GLU 102 far 0 71 0 - 8.8-12.5 HG3 GLN 134 - HB3 GLU 128 far 0 93 0 - 9.2-12.4 HB2 LEU 62 - HB2 GLN 68 far 0 36 0 - 9.9-12.6 HB VAL 126 - HB3 GLU 97 far 0 55 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 3344 from cnoeabs.peaks (2.23, 2.23, 28.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 102 + HB3 GLU 102 OK 100 100 - 100 HB3 GLU 128 + HB3 GLU 128 OK 93 93 - 100 HB3 GLU 97 + HB3 GLU 97 OK 73 73 - 100 HB2 GLN 68 + HB2 GLN 68 OK 56 56 - 100 Peak 3345 from cnoeabs.peaks (2.36, 2.23, 28.58 ppm; 3.83 A): 2 out of 11 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLN 104 - HB3 GLU 102 far 0 76 0 - 6.2-7.2 HG2 GLN 127 - HB3 GLU 128 far 0 93 0 - 6.9-8.2 HG2 GLN 104 - HB3 GLU 97 far 0 55 0 - 7.5-10.7 HG2 GLU 102 - HB3 GLU 97 far 0 82 0 - 7.8-11.4 HB3 GLN 134 - HB3 GLU 128 far 0 51 0 - 8.8-12.6 HB2 PRO 117 - HB3 GLU 102 far 0 100 0 - 9.0-11.7 HG2 GLN 27 - HB2 GLN 68 far 0 59 0 - 9.1-26.0 HG3 GLN 27 - HB2 GLN 68 far 0 61 0 - 9.4-26.6 HG2 GLU 44 - HB2 GLN 68 far 0 42 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3346 from cnoeabs.peaks (2.52, 2.23, 28.58 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 102 - HB3 GLU 97 far 0 82 0 - 6.9-10.4 HG3 MET 11 - HB2 GLN 68 far 0 61 0 - 9.7-41.0 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 2.7-4.2 7469=100, 7468/1.8=87...(20) H ALA 108 - HB3 GLU 102 far 5 100 5 - 4.3-10.7 H ALA 109 - HB3 GLU 102 far 0 100 0 - 6.7-12.4 H LEU 103 - HB3 GLU 97 far 0 82 0 - 7.9-10.2 H ASN 120 - HB3 GLU 102 far 0 100 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (7.85, 2.36, 34.65 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.0-3.9 7458/1.8=86, 7457=74...(17) Violated in 0 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (4.05, 2.36, 34.65 ppm; 3.64 A): 1 out of 4 assignments used, quality = 0.99: * HA GLU 102 + HG2 GLU 102 OK 99 100 100 99 2.2-3.8 3.7=92, 2.9/3348=48...(9) HA LEU 122 - HG2 GLU 102 far 0 100 0 - 7.4-12.1 HA LEU 96 - HG2 GLU 102 far 0 98 0 - 7.7-11.2 HA LEU 119 - HG2 GLU 102 far 0 71 0 - 7.8-13.3 Violated in 12 structures by 0.04 A. Peak 3350 from cnoeabs.peaks (2.08, 2.36, 34.65 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 118 - HG2 GLU 102 far 4 71 5 - 4.4-9.3 HG2 PRO 117 - HG2 GLU 102 far 0 63 0 - 6.1-10.5 HB2 LEU 62 - HG2 GLU 102 far 0 71 0 - 9.2-13.9 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 4 assignments used, quality = 1.00: * HB3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLU 102 far 0 76 0 - 4.6-7.2 HB3 GLN 104 - HG2 GLU 102 far 0 99 0 - 7.8-10.7 HB3 GLU 97 - HG2 GLU 102 far 0 95 0 - 7.8-11.4 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 2.6-5.4 7471/1.8=92, 7469/3.0=90...(16) H ALA 108 - HG2 GLU 102 far 5 100 5 - 5.1-12.3 H ALA 109 - HG2 GLU 102 far 0 100 0 - 6.7-14.9 H ASN 120 - HG2 GLU 102 far 0 100 0 - 8.7-13.9 Violated in 1 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 2.2-3.7 7458=100, 3348/1.8=69...(19) 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 2.1-3.9 3.7=100 HA GLU 44 + HG3 GLU 44 OK 80 80 100 100 2.1-3.3 3.7=100 HA LEU 122 - HG3 GLU 102 far 0 100 0 - 6.5-11.3 HA LEU 96 - HG3 GLU 102 far 0 98 0 - 7.4-10.2 HA LEU 119 - HG3 GLU 102 far 0 71 0 - 7.9-12.5 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 2.2-3.0 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 far 4 71 5 - 4.3-8.8 HG2 PRO 117 - HG3 GLU 102 far 0 63 0 - 6.6-10.4 HB3 LYS 39 - HG3 GLU 44 far 0 80 0 - 8.6-10.6 HG3 GLN 134 - HG3 GLU 44 far 0 81 0 - 8.8-13.2 HB2 LEU 62 - HG3 GLU 102 far 0 71 0 - 9.0-13.8 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 11 76 15 - 4.4-7.3 HB3 GLU 97 - HG3 GLU 102 far 0 95 0 - 6.9-10.4 HB3 GLN 104 - HG3 GLU 102 far 0 99 0 - 7.5-10.0 HB3 LEU 96 - HG3 GLU 102 far 0 99 0 - 9.9-12.4 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 - 6.1-7.6 HB2 PRO 117 - HG3 GLU 102 far 0 100 0 - 9.3-13.1 HB3 GLN 134 - HG3 GLU 44 far 0 41 0 - 9.4-12.6 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 2.8-4.8 7471=100, 3.0/7458=94...(17) H ALA 108 - HG3 GLU 102 far 5 100 5 - 3.6-12.2 H ALA 109 - HG3 GLU 102 far 5 100 5 - 5.2-14.9 H ASN 120 - HG3 GLU 102 far 0 100 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (8.08, 4.02, 57.03 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + HA LEU 103 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 108 - HA LEU 103 poor 16 100 25 62 1.9-7.3 11486/3367=47...(4) H ALA 109 - HA LEU 103 far 5 100 5 - 2.9-9.1 H ASN 120 - HA LEU 103 far 0 100 0 - 7.8-10.8 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 2.3-2.7 3.0=100 HG LEU 103 + HA LEU 103 OK 81 81 100 100 2.3-4.3 4.3=90, 2.1/3367=87...(19) HG LEU 122 - HA LEU 103 far 0 65 0 - 6.7-9.3 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 2.3-3.0 3.0=100 HB3 LEU 122 - HA LEU 103 far 0 100 0 - 6.5-9.7 HB2 LEU 100 - HA LEU 103 far 0 60 0 - 6.8-8.6 HG LEU 100 - HA LEU 103 far 0 90 0 - 6.9-9.5 HB3 LEU 98 - HA LEU 103 far 0 99 0 - 9.2-11.4 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 2.3-4.3 4.3=100 HB2 LEU 103 + HA LEU 103 OK 81 81 100 100 2.3-2.7 3.0=100 HB2 LEU 119 - HA LEU 103 far 0 97 0 - 7.1-10.6 Violated in 0 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (0.78, 4.02, 57.03 ppm; 3.49 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HA LEU 103 OK 100 100 100 100 2.1-3.6 3397=79, 2.1/3405=48...(18) QD2 LEU 119 - HA LEU 103 far 4 85 5 - 4.3-8.2 QD2 LEU 122 - HA LEU 103 far 0 100 0 - 4.7-8.6 QD1 LEU 122 - HA LEU 103 far 0 71 0 - 5.1-8.5 QG1 VAL 63 - HA LEU 103 far 0 100 0 - 5.4-7.1 QD2 LEU 49 - HA LEU 103 far 0 92 0 - 8.2-12.0 QD1 LEU 53 - HA LEU 103 far 0 96 0 - 8.4-13.8 QD1 LEU 96 - HA LEU 103 far 0 97 0 - 8.5-10.2 Violated in 2 structures by 0.01 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 2.2-4.1 4.1=89, 2.1/3397=71...(17) Violated in 3 structures by 0.02 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 3.4-3.6 3.6=100 H SER 106 + HA LEU 103 OK 89 100 100 89 3.2-4.9 7535/7520=44...(10) HD22 ASN 116 + HA LEU 103 OK 39 83 65 72 2.8-6.9 3403/3367=25...(7) H THR 115 - HA LEU 103 far 0 99 0 - 8.6-13.0 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 7 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 103 OK 100 100 100 100 2.2-4.5 7445/10066=59...(20) HB3 SER 106 + HB2 LEU 103 OK 42 89 50 94 4.6-7.8 10096/3.2=36, 11536=30...(18) HB2 SER 106 + HB2 LEU 103 OK 31 100 35 90 5.3-7.8 1.8/11536=34, ~10096=31...(15) HB3 SER 107 - HB2 LEU 103 poor 20 100 20 - 3.8-9.7 HD3 PRO 117 - HB2 LEU 103 far 5 98 5 - 6.0-8.8 HA3 GLY 111 - HB2 LEU 103 far 0 90 0 - 8.0-14.7 HA2 GLY 111 - HB2 LEU 103 far 0 57 0 - 8.0-15.1 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 2.2-3.0 3.9=100 H ALA 108 - HB2 LEU 103 far 5 100 5 - 4.2-9.4 H ALA 109 - HB2 LEU 103 far 5 100 5 - 4.3-10.8 H ASN 120 - HB2 LEU 103 far 0 100 0 - 6.7-9.3 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 2.3-2.7 3.0=100 HB3 SER 99 + HB2 LEU 103 OK 29 97 45 68 4.1-6.1 10270/10263=28...(12) HA LEU 119 - HB2 LEU 103 far 10 98 10 - 4.5-7.2 HA SER 60 - HB2 LEU 103 far 0 99 0 - 7.3-10.0 HA LEU 96 - HB2 LEU 103 far 0 71 0 - 7.9-9.5 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 HB3 LEU 122 - HB2 LEU 103 far 5 100 5 - 4.3-7.4 HG LEU 100 - HB2 LEU 103 far 0 90 0 - 4.5-7.7 HB2 LEU 100 - HB2 LEU 103 far 0 60 0 - 4.6-6.9 HB3 LEU 98 - HB2 LEU 103 far 0 99 0 - 8.3-10.2 HB3 LEU 123 - HB2 LEU 103 far 0 38 0 - 8.5-11.6 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 1.9-3.2 3.2=100 QD2 LEU 122 + HB2 LEU 103 OK 41 100 60 69 2.6-6.6 11489/3370=11...(28) QD1 LEU 122 - HB2 LEU 103 poor 13 71 35 54 3.0-6.5 11489/3370=7...(25) QD2 LEU 119 - HB2 LEU 103 poor 11 85 30 45 4.2-7.7 3409/3.1=10, 3791/3.0=10...(15) QG1 VAL 63 - HB2 LEU 103 far 0 100 0 - 4.8-6.8 QD1 LEU 96 - HB2 LEU 103 far 0 97 0 - 6.3-8.3 QD2 LEU 49 - HB2 LEU 103 far 0 92 0 - 6.5-10.2 QD1 LEU 53 - HB2 LEU 103 far 0 96 0 - 7.2-12.1 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 2.2-3.2 3.1=100 QD2 LEU 96 - HB2 LEU 103 far 0 99 0 - 8.9-10.6 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 3.2-4.0 7488/1.8=92, 4.6=89...(24) HD22 ASN 116 + HB2 LEU 103 OK 34 83 45 90 2.7-7.2 10278/10263=47...(11) H SER 106 - HB2 LEU 103 far 0 100 0 - 5.4-6.5 H THR 115 - HB2 LEU 103 far 0 99 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (3.96, 1.79, 41.89 ppm; 5.19 A): 7 out of 24 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 103 OK 100 100 100 100 2.1-5.7 3370/1.8=69...(21) HA LEU 100 + HB3 LEU 122 OK 84 100 85 99 3.3-6.7 11489/3.1=40...(34) HB3 SER 106 + HB3 LEU 103 OK 42 89 50 95 5.2-8.2 10096/3.2=36...(17) HA THR 65 + HB2 LEU 48 OK 40 66 60 100 4.4-8.0 3.2/10991=65, ~9441=46...(33) HB2 SER 51 + HB2 LEU 48 OK 34 53 65 99 5.1-7.3 1615/3.0=66, ~1621=65...(10) HB2 SER 106 + HB3 LEU 103 OK 23 100 25 94 5.2-8.4 ~11536=35, ~10096=32...(15) HB3 SER 107 + HB3 LEU 103 OK 23 100 35 66 4.0-8.5 10106/3.2=18...(13) HB3 SER 51 - HB2 LEU 48 poor 15 51 30 - 5.4-6.6 HB3 SER 94 - HB3 LEU 98 far 13 85 15 - 5.2-8.4 HD3 PRO 117 - HB3 LEU 103 far 0 98 0 - 6.4-10.4 HA2 GLY 111 - HB3 LEU 103 far 0 57 0 - 6.5-14.8 HA LEU 100 - HB3 LEU 98 far 0 92 0 - 7.2-8.4 HB3 SER 106 - HB3 LEU 98 far 0 76 0 - 7.8-13.6 HA3 GLY 111 - HB3 LEU 103 far 0 90 0 - 8.0-14.4 HB2 SER 106 - HB3 LEU 98 far 0 90 0 - 8.6-14.0 HB3 SER 107 - HB3 LEU 122 far 0 100 0 - 8.7-15.6 HA GLN 127 - HB2 LEU 48 far 0 67 0 - 8.9-11.3 HA GLU 91 - HB3 LEU 98 far 0 73 0 - 9.0-11.6 HA GLN 127 - HB3 LEU 122 far 0 98 0 - 9.0-10.8 HD3 PRO 117 - HB3 LEU 122 far 0 98 0 - 9.0-10.9 HB3 SER 106 - HB3 LEU 122 far 0 88 0 - 9.2-13.9 HA THR 65 - HB3 LEU 122 far 0 98 0 - 9.2-11.5 HB2 SER 106 - HB3 LEU 122 far 0 99 0 - 9.3-14.5 HA THR 65 - HB3 LEU 103 far 0 98 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (8.08, 1.79, 41.89 ppm; 4.00 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-3.6 3.9=100 H ALA 109 - HB3 LEU 103 far 5 100 5 - 3.8-11.0 H ALA 108 - HB3 LEU 103 far 5 100 5 - 4.3-8.8 H ASN 120 - HB3 LEU 122 far 0 99 0 - 4.9-7.1 H LEU 103 - HB3 LEU 122 far 0 100 0 - 5.4-9.2 H LEU 103 - HB3 LEU 98 far 0 92 0 - 7.2-9.0 H ASN 120 - HB3 LEU 103 far 0 100 0 - 7.4-10.7 H ALA 108 - HB3 LEU 98 far 0 92 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (4.02, 1.79, 41.89 ppm; 4.43 A): 6 out of 20 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 95 + HB3 LEU 98 OK 91 91 100 100 2.9-4.4 2963=98, 3158/1.8=91...(21) HB3 SER 99 + HB3 LEU 122 OK 86 96 90 100 1.9-6.4 11476/3.1=45...(26) HA LEU 119 + HB3 LEU 122 OK 78 98 80 100 3.0-5.7 3764=97, 3762/3.5=46...(21) HA LEU 96 + HB3 LEU 122 OK 38 70 55 98 3.1-6.4 3868/1.8=23, 3901/3.1=19...(48) HA LEU 96 + HB3 LEU 98 OK 28 59 50 94 4.6-6.8 4.9/2963=44, 3.6/9998=25...(23) HB3 SER 99 - HB3 LEU 98 poor 17 85 20 - 3.7-6.8 HA LEU 119 - HB3 LEU 103 far 5 98 5 - 5.3-8.2 HB3 SER 99 - HB3 LEU 103 far 5 97 5 - 4.6-7.5 HA SER 60 - HB3 LEU 103 far 0 99 0 - 5.9-9.2 HA SER 50 - HB3 LEU 122 far 0 82 0 - 6.5-10.9 HA LEU 103 - HB3 LEU 122 far 0 100 0 - 6.5-9.7 HA LYS 95 - HB3 LEU 122 far 0 100 0 - 7.0-11.0 HB3 SER 124 - HB3 LEU 122 far 0 94 0 - 7.1-8.4 HA SER 50 - HB2 LEU 48 far 0 51 0 - 7.2-8.5 HB2 SER 124 - HB3 LEU 122 far 0 80 0 - 7.4-8.5 HA LEU 96 - HB3 LEU 103 far 0 71 0 - 7.4-11.0 HA GLN 68 - HB2 LEU 48 far 0 46 0 - 9.1-11.8 HA LEU 103 - HB3 LEU 98 far 0 92 0 - 9.2-11.4 HB2 SER 124 - HB3 LEU 98 far 0 68 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 3382 from cnoeabs.peaks (1.58, 1.79, 41.89 ppm; 3.20 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 103 + HB3 LEU 103 OK 81 81 100 100 2.5-3.0 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 OK 24 69 40 85 3.0-8.1 6606/6598=23...(20) HB2 LEU 103 - HB3 LEU 122 far 0 100 0 - 4.3-7.4 HG LEU 122 - HB3 LEU 103 far 0 65 0 - 4.5-7.9 HG LEU 49 - HB3 LEU 122 far 0 99 0 - 5.0-10.0 HG LEU 103 - HB3 LEU 122 far 0 80 0 - 5.1-8.7 HG LEU 123 - HB3 LEU 122 far 0 97 0 - 6.5-8.5 HG LEU 122 - HB3 LEU 98 far 0 55 0 - 6.5-10.1 HG LEU 123 - HB2 LEU 48 far 0 65 0 - 8.3-14.1 HB2 LEU 103 - HB3 LEU 98 far 0 92 0 - 8.3-10.2 HG LEU 103 - HB3 LEU 98 far 0 68 0 - 8.5-13.1 HG LEU 49 - HB3 LEU 103 far 0 100 0 - 9.5-14.4 HG LEU 122 - HB2 LEU 48 far 0 39 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 3383 from cnoeabs.peaks (1.79, 1.79, 41.89 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 HB3 LEU 122 + HB3 LEU 122 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 88 88 - 100 HB2 LEU 48 + HB2 LEU 48 OK 63 63 - 100 Peak 3384 from cnoeabs.peaks (1.56, 1.79, 41.89 ppm; 4.06 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.5-3.0 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 33 58 60 96 3.0-8.1 11025/10991=37...(23) HB2 LEU 103 - HB3 LEU 122 far 8 80 10 - 4.3-7.4 HG LEU 49 - HB3 LEU 122 far 0 90 0 - 5.0-10.0 HG LEU 103 - HB3 LEU 122 far 0 100 0 - 5.1-8.7 HB2 LEU 119 - HB3 LEU 122 far 0 96 0 - 5.1-7.9 HB2 LEU 119 - HB3 LEU 103 far 0 97 0 - 6.2-10.3 HG LEU 123 - HB3 LEU 122 far 0 96 0 - 6.5-8.5 HG LEU 123 - HB2 LEU 48 far 0 64 0 - 8.3-14.1 HB2 LEU 103 - HB3 LEU 98 far 0 68 0 - 8.3-10.2 HG LEU 103 - HB3 LEU 98 far 0 92 0 - 8.5-13.1 HG LEU 49 - HB3 LEU 103 far 0 90 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (0.78, 1.79, 41.89 ppm; 3.92 A): 8 out of 32 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-3.2 3.2=100 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 84 97 90 97 2.8-5.5 9986/11653=30...(45) QG1 VAL 63 + HB3 LEU 103 OK 75 100 75 100 3.3-6.9 10972/1.8=55...(34) QD1 LEU 122 + HB3 LEU 122 OK 70 70 100 100 1.9-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 103 OK 30 100 40 74 3.4-7.1 3376/1.8=20...(26) QD1 LEU 53 + HB3 LEU 122 OK 26 95 40 67 2.9-9.2 3907/4.3=21, ~11749=12...(17) QD1 LEU 103 + HB3 LEU 122 OK 22 100 35 62 3.9-7.0 10265/11609=11...(22) QD1 LEU 122 - HB3 LEU 103 poor 16 71 35 63 3.4-7.1 ~3376=13, ~3376=12...(22) QD2 LEU 49 - HB3 LEU 122 poor 12 91 45 29 2.6-6.8 11681/11678=8...(10) QD2 LEU 49 - HB2 LEU 48 poor 12 59 20 - 3.9-7.1 QD2 LEU 119 - HB3 LEU 122 far 8 84 10 - 4.4-7.9 QD2 LEU 119 - HB3 LEU 103 far 4 85 5 - 4.0-8.3 QD2 LEU 122 - HB3 LEU 98 far 0 90 0 - 5.0-7.8 QD1 LEU 122 - HB3 LEU 98 far 0 59 0 - 5.7-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 87 0 - 6.1-8.1 QD1 LEU 53 - HB2 LEU 48 far 0 63 0 - 6.2-10.2 QD2 LEU 49 - HB3 LEU 103 far 0 92 0 - 6.4-10.6 QD1 LEU 96 - HB3 LEU 103 far 0 97 0 - 6.6-9.3 QD1 LEU 122 - HB2 LEU 48 far 0 43 0 - 6.9-11.7 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 7.1-8.8 QD2 LEU 122 - HB2 LEU 48 far 0 69 0 - 7.3-13.0 QD1 LEU 53 - HB3 LEU 103 far 0 96 0 - 7.4-12.6 QD1 LEU 103 - HB3 LEU 98 far 0 92 0 - 7.4-10.1 QD1 LEU 96 - HB2 LEU 48 far 0 65 0 - 7.7-10.9 QD2 LEU 43 - HB2 LEU 48 far 0 39 0 - 8.6-9.9 QD1 ILE 32 - HB2 LEU 48 far 0 69 0 - 9.3-21.8 QG1 VAL 63 - HB3 LEU 98 far 0 92 0 - 9.3-12.1 QD2 LEU 49 - HB3 LEU 98 far 0 80 0 - 9.3-12.1 QD2 LEU 119 - HB2 LEU 48 far 0 53 0 - 9.4-13.7 QG1 VAL 63 - HB2 LEU 48 far 0 71 0 - 9.6-12.9 QD1 LEU 53 - HB3 LEU 98 far 0 84 0 - 9.7-14.5 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 2.0-3.2 3.1=100 QD2 LEU 103 + HB3 LEU 122 OK 27 100 45 59 4.2-7.0 3405/3764=12, 3407=10...(21) QD2 LEU 96 - HB3 LEU 122 far 0 98 0 - 5.3-7.4 QG1 VAL 93 - HB3 LEU 98 far 0 88 0 - 6.2-8.6 QD2 LEU 96 - HB3 LEU 98 far 0 88 0 - 7.3-8.7 QD2 LEU 103 - HB3 LEU 98 far 0 92 0 - 7.5-10.8 QG1 VAL 93 - HB3 LEU 122 far 0 98 0 - 7.8-10.2 QD2 LEU 103 - HB2 LEU 48 far 0 71 0 - 8.4-14.2 QD2 LEU 43 - HB2 LEU 48 far 0 61 0 - 8.6-9.9 HG12 ILE 129 - HB3 LEU 122 far 0 98 0 - 8.6-11.9 QD2 LEU 96 - HB2 LEU 48 far 0 67 0 - 8.9-11.3 QD2 LEU 96 - HB3 LEU 103 far 0 99 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (7.90, 1.79, 41.89 ppm; 4.60 A): 2 out of 11 assignments used, quality = 1.00: * H GLN 104 + HB3 LEU 103 OK 99 100 100 99 1.9-4.3 4.6=99 H SER 106 + HB3 LEU 103 OK 60 100 70 86 5.2-6.8 11469/3.2=44...(11) HD22 ASN 116 - HB3 LEU 103 poor 19 83 25 93 1.9-7.8 10278/11916=53...(10) HD22 ASN 116 - HB3 LEU 122 far 0 82 0 - 6.2-11.1 H GLN 104 - HB3 LEU 122 far 0 100 0 - 7.2-9.8 H THR 115 - HB3 LEU 103 far 0 99 0 - 7.6-14.3 H SER 106 - HB3 LEU 98 far 0 91 0 - 8.6-12.4 H GLU 128 - HB3 LEU 122 far 0 96 0 - 9.0-9.9 H GLN 104 - HB3 LEU 98 far 0 92 0 - 9.2-11.3 H SER 106 - HB3 LEU 122 far 0 100 0 - 9.6-13.0 H THR 115 - HB3 LEU 122 far 0 98 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (8.08, 1.56, 26.63 ppm; 4.27 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 103 + HG LEU 103 OK 100 100 100 100 2.0-4.6 3396/2.1=81, 7474/3.0=74...(26) H ALA 108 - HG LEU 103 far 15 100 15 - 3.4-9.7 H THR 25 - HG2 ARG 23 far 1 23 5 - 4.8-6.7 H ALA 109 - HG LEU 103 far 0 100 0 - 5.5-9.9 H VAL 20 - HG2 ARG 23 far 0 25 0 - 5.8-9.4 H ASN 120 - HG LEU 123 far 0 86 0 - 6.0-7.0 H ASN 120 - HG LEU 103 far 0 100 0 - 6.7-9.9 H ASN 120 - HG LEU 49 far 0 38 0 - 9.7-12.2 Violated in 16 structures by 0.18 A. Peak 3389 from cnoeabs.peaks (4.02, 1.56, 26.63 ppm; 3.91 A): 3 out of 20 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.3-4.3 3367/2.1=82, 4.3=77...(19) HA SER 50 + HG LEU 123 OK 46 66 70 99 2.4-5.9 11636/2.1=73...(21) HB3 SER 124 + HG LEU 123 OK 25 78 35 91 3.3-6.3 10372/2.1=59...(11) HB2 SER 124 - HG LEU 123 poor 19 64 30 - 4.6-7.6 HA LEU 119 - HG LEU 103 far 15 98 15 - 4.1-7.8 HA SER 50 - HG LEU 49 poor 10 27 35 - 3.4-6.6 HA SER 60 - HG LEU 103 far 0 99 0 - 4.8-8.2 HB3 SER 99 - HG LEU 103 far 0 97 0 - 5.1-8.9 HA LEU 119 - HG LEU 123 far 0 83 0 - 6.0-7.8 HA LEU 119 - HG LEU 49 far 0 36 0 - 6.8-9.9 HA GLN 68 - HG LEU 49 far 0 24 0 - 7.7-11.3 HA GLN 68 - HG2 ARG 23 far 0 21 0 - 8.2-30.8 HA LEU 96 - HG LEU 103 far 0 71 0 - 8.5-11.8 HA LEU 96 - HG LEU 123 far 0 55 0 - 8.6-11.3 HA LEU 96 - HG LEU 49 far 0 22 0 - 8.8-11.3 HB3 SER 99 - HG LEU 123 far 0 81 0 - 9.1-11.2 HB3 SER 124 - HG LEU 49 far 0 34 0 - 9.2-13.0 HB2 SER 124 - HG LEU 49 far 0 26 0 - 9.6-13.2 HB3 SER 99 - HG LEU 49 far 0 35 0 - 10.0-12.8 HA SER 60 - HG LEU 49 far 0 38 0 - 10.0-13.7 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 17 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 123 + HG LEU 123 OK 29 29 100 100 2.2-3.0 3.0=100 HB2 LEU 48 - HG LEU 49 poor 17 34 50 - 3.0-8.1 HB2 LEU 100 - HG LEU 103 far 6 60 10 - 4.2-8.5 HB3 LYS 19 - HG2 ARG 23 far 0 25 0 - 4.7-11.6 HB3 LYS 31 - HG2 ARG 23 far 0 25 0 - 4.7-19.6 HB3 LEU 122 - HG LEU 49 far 0 39 0 - 5.0-10.0 HB3 LYS 24 - HG2 ARG 23 far 0 23 0 - 5.1-8.0 HB3 LEU 122 - HG LEU 103 far 0 100 0 - 5.1-8.7 HG LEU 100 - HG LEU 103 far 0 90 0 - 5.1-8.7 HB3 LEU 122 - HG LEU 123 far 0 87 0 - 6.5-8.5 HG LEU 100 - HG LEU 49 far 0 31 0 - 6.6-9.1 HB2 LEU 48 - HG LEU 123 far 0 79 0 - 8.3-14.1 HB3 LEU 123 - HG LEU 103 far 0 38 0 - 8.5-12.5 HB3 LEU 98 - HG LEU 103 far 0 99 0 - 8.5-13.1 HG LEU 100 - HG LEU 123 far 0 73 0 - 9.5-12.9 HB3 LEU 103 - HG LEU 49 far 0 39 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (1.56, 1.56, 26.63 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 103 + HG LEU 103 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 81 81 - 100 HG LEU 49 + HG LEU 49 OK 31 31 - 100 HG2 ARG 23 + HG2 ARG 23 OK 25 25 - 100 Peak 3393 from cnoeabs.peaks (0.78, 1.56, 26.63 ppm; 3.02 A): 3 out of 27 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 53 + HG LEU 123 OK 55 79 85 82 2.0-4.6 11422/2.1=51...(13) QD2 LEU 49 + HG LEU 49 OK 32 32 100 100 2.1-2.1 2.1=100 QD2 LEU 119 - HG LEU 103 poor 11 85 30 43 2.7-7.8 3409/2.1=11, 3791=9...(16) QG1 VAL 63 - HG LEU 103 far 10 100 10 - 3.8-5.8 QD1 LEU 53 - HG LEU 49 poor 7 34 20 - 1.8-7.5 QD2 LEU 122 - HG LEU 103 far 5 100 5 - 2.8-7.7 QD1 LEU 122 - HG LEU 103 far 4 71 5 - 3.9-7.4 QD1 LEU 122 - HG LEU 49 far 1 22 5 - 3.7-6.9 QD2 LEU 122 - HG LEU 49 far 0 38 0 - 4.4-8.3 QD1 LEU 122 - HG LEU 123 far 0 55 0 - 4.6-8.0 QD1 LEU 96 - HG LEU 49 far 0 36 0 - 4.9-7.2 QD2 LEU 122 - HG LEU 123 far 0 86 0 - 5.1-8.5 QD2 LEU 49 - HG LEU 123 far 0 75 0 - 5.3-8.1 QD1 ILE 32 - HG2 ARG 23 far 0 33 0 - 6.0-17.9 QD2 LEU 119 - HG LEU 123 far 0 68 0 - 6.3-8.8 QD2 LEU 49 - HG LEU 103 far 0 92 0 - 6.5-9.4 QD1 LEU 96 - HG LEU 103 far 0 97 0 - 6.6-9.5 QD1 LEU 53 - HG LEU 103 far 0 96 0 - 6.7-12.7 QD2 LEU 119 - HG LEU 49 far 0 28 0 - 6.9-10.5 QD1 LEU 96 - HG LEU 123 far 0 82 0 - 7.1-9.4 QD1 LEU 103 - HG LEU 123 far 0 87 0 - 7.4-11.8 QG1 VAL 63 - HG LEU 49 far 0 39 0 - 7.6-10.2 QD2 LEU 43 - HG LEU 49 far 0 20 0 - 7.7-10.7 QD1 LEU 103 - HG LEU 49 far 0 39 0 - 7.8-10.9 QG1 VAL 63 - HG2 ARG 23 far 0 34 0 - 9.1-30.6 QD1 ILE 32 - HG LEU 49 far 0 38 0 - 9.8-23.1 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (0.74, 1.56, 26.63 ppm; 3.61 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 - HG LEU 49 far 0 37 0 - 5.9-7.7 QD2 LEU 103 - HG LEU 49 far 0 39 0 - 6.6-11.6 QD2 LEU 43 - HG LEU 49 far 0 33 0 - 7.7-10.7 QD2 LEU 103 - HG LEU 123 far 0 87 0 - 7.8-11.3 HG12 ILE 129 - HG LEU 49 far 0 36 0 - 7.9-12.5 QD2 LEU 96 - HG LEU 123 far 0 84 0 - 8.6-10.9 HG12 ILE 129 - HG LEU 123 far 0 83 0 - 9.0-13.9 QD2 LEU 96 - HG LEU 103 far 0 99 0 - 9.1-12.1 QG1 VAL 93 - HG LEU 49 far 0 36 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (7.90, 1.56, 26.63 ppm; 4.69 A): 3 out of 6 assignments used, quality = 1.00: * H GLN 104 + HG LEU 103 OK 100 100 100 100 1.9-4.4 7491/2.1=86, 7488/3.0=80...(22) H SER 106 + HG LEU 103 OK 54 100 65 82 4.9-7.1 11469/2.1=53...(9) HD22 ASN 116 + HG LEU 103 OK 49 83 65 91 3.9-6.8 ~11425=43, 3403/2.1=35...(11) H GLU 128 - HG LEU 123 far 0 81 0 - 6.7-9.1 H THR 115 - HG LEU 103 far 0 99 0 - 7.8-13.7 H GLU 128 - HG LEU 49 far 0 35 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 3396 from cnoeabs.peaks (8.08, 0.78, 24.12 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.7-4.3 7476=73, 3.0/3367=68...(32) H ALA 108 - QD1 LEU 103 far 5 100 5 - 4.3-8.2 H ASN 120 - QD1 LEU 103 far 5 100 5 - 4.3-8.7 H ALA 109 - QD1 LEU 103 far 0 100 0 - 5.1-8.5 H LEU 103 - QD1 LEU 96 far 0 69 0 - 6.9-8.4 H ASN 120 - QD1 LEU 96 far 0 68 0 - 8.1-9.7 Violated in 5 structures by 0.05 A. Peak 3397 from cnoeabs.peaks (4.02, 0.78, 24.12 ppm; 3.34 A): 3 out of 20 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.1-3.6 3367=98, 3368/2.1=51...(17) HA LEU 96 + QD1 LEU 96 OK 40 41 100 96 2.7-3.4 4.0=60, 3092/2.1=42...(24) HA LEU 119 + QD1 LEU 103 OK 35 98 60 60 1.9-6.1 2.8/11426=21...(10) HA SER 60 - QD1 LEU 103 far 15 99 15 - 4.0-7.4 HB3 SER 99 - QD1 LEU 103 far 5 97 5 - 4.2-7.0 HB3 SER 99 - QD1 LEU 96 far 3 63 5 - 4.2-6.3 HA LYS 95 - QD1 LEU 96 far 0 69 0 - 6.4-6.8 HA LEU 119 - QD1 LEU 96 far 0 65 0 - 6.6-8.1 HA GLN 68 - QD1 LEU 96 far 0 45 0 - 6.8-7.9 HB2 SER 124 - QD1 LEU 96 far 0 49 0 - 7.0-8.6 HA LEU 96 - QD1 LEU 103 far 0 71 0 - 7.2-9.8 HA SER 50 - QD1 LEU 96 far 0 50 0 - 7.3-9.8 HB3 SER 124 - QD1 LEU 96 far 0 61 0 - 7.4-8.9 HA LEU 103 - QD1 LEU 96 far 0 69 0 - 8.5-10.2 HA SER 50 - QD1 LEU 103 far 0 83 0 - 9.1-11.9 HB3 SER 124 - QD1 LEU 103 far 0 95 0 - 9.2-13.0 HB2 SER 124 - QD1 LEU 103 far 0 81 0 - 9.4-12.8 HA GLN 68 - QD1 LEU 103 far 0 76 0 - 9.5-13.0 HA LYS 95 - QD1 LEU 103 far 0 100 0 - 9.6-12.1 HA SER 60 - QD1 LEU 96 far 0 67 0 - 9.8-11.2 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 1.9-3.2 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 poor 15 38 40 - 2.2-5.3 HG LEU 122 - QD1 LEU 103 far 7 65 10 - 3.3-6.8 HG LEU 49 - QD1 LEU 96 far 0 68 0 - 4.9-7.2 HB2 LEU 103 - QD1 LEU 96 far 0 69 0 - 6.3-8.3 HG LEU 103 - QD1 LEU 96 far 0 49 0 - 6.6-9.5 HG LEU 123 - QD1 LEU 96 far 0 64 0 - 7.1-9.4 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 7.4-11.8 HG LEU 49 - QD1 LEU 103 far 0 100 0 - 7.8-10.9 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 2.1-3.2 3.2=100 HG LEU 100 + QD1 LEU 96 OK 50 57 100 89 2.2-3.9 2.1/11388=27, ~11918=26...(24) HB3 LEU 122 + QD1 LEU 96 OK 34 69 55 91 2.8-5.5 11653/10382=18...(44) HB2 LEU 100 + QD1 LEU 96 OK 24 34 85 82 2.1-5.0 3.2/11388=20, ~11918=20...(18) HB3 LEU 122 - QD1 LEU 103 far 10 100 10 - 3.9-7.0 HG LEU 100 - QD1 LEU 103 far 9 90 10 - 4.0-6.9 HB2 LEU 100 - QD1 LEU 103 far 3 60 5 - 3.5-6.9 HB3 LEU 123 - QD1 LEU 103 far 0 38 0 - 5.7-9.6 HB3 LEU 123 - QD1 LEU 96 far 0 21 0 - 6.0-7.7 HB3 LEU 98 - QD1 LEU 96 far 0 66 0 - 6.1-8.1 HB3 LEU 103 - QD1 LEU 96 far 0 69 0 - 6.6-9.3 HB3 LEU 98 - QD1 LEU 103 far 0 99 0 - 7.4-10.1 HB2 LEU 48 - QD1 LEU 96 far 0 62 0 - 7.7-10.9 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 1.9-3.2 3.2=76, 3.0/3367=39...(18) HB2 LEU 119 - QD1 LEU 103 far 5 97 5 - 3.1-7.2 HG LEU 49 - QD1 LEU 96 far 0 57 0 - 4.9-7.2 HB2 LEU 103 - QD1 LEU 96 far 0 49 0 - 6.3-8.3 HG LEU 103 - QD1 LEU 96 far 0 69 0 - 6.6-9.5 HG LEU 123 - QD1 LEU 96 far 0 63 0 - 7.1-9.4 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 7.4-11.8 HG LEU 49 - QD1 LEU 103 far 0 90 0 - 7.8-10.9 HB2 LEU 119 - QD1 LEU 96 far 0 63 0 - 8.1-10.1 HB3 LEU 42 - QD1 LEU 96 far 0 62 0 - 9.3-10.5 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 8 assignments used, quality = 1.00: * QD2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 96 + QD1 LEU 96 OK 66 66 100 100 1.9-2.0 2.1=100 QG1 VAL 93 - QD1 LEU 96 far 0 65 0 - 3.8-4.9 HG12 ILE 129 - QD1 LEU 96 far 0 65 0 - 4.8-6.9 QD2 LEU 103 - QD1 LEU 96 far 0 69 0 - 5.0-7.8 QD2 LEU 96 - QD1 LEU 103 far 0 99 0 - 7.4-9.7 QD2 LEU 43 - QD1 LEU 96 far 0 59 0 - 7.9-9.2 QG1 VAL 93 - QD1 LEU 103 far 0 98 0 - 9.3-11.3 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 7 assignments used, quality = 1.00: * H GLN 104 + QD1 LEU 103 OK 100 100 100 100 1.9-4.7 7491/2.1=69, 3.6/3367=62...(27) HD22 ASN 116 + QD1 LEU 103 OK 66 83 85 93 2.3-5.6 10278/10265=56...(15) H SER 106 - QD1 LEU 103 far 0 100 0 - 4.9-6.2 H THR 115 - QD1 LEU 103 far 0 99 0 - 5.4-11.1 H GLU 128 - QD1 LEU 96 far 0 63 0 - 6.4-7.2 H GLN 104 - QD1 LEU 96 far 0 69 0 - 7.3-8.8 HD22 ASN 116 - QD1 LEU 96 far 0 50 0 - 9.2-12.2 Violated in 2 structures by 0.00 A. Peak 3405 from cnoeabs.peaks (4.02, 0.74, 25.24 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * HA LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.2-4.1 3368=87, 3367/2.1=79...(17) HA LEU 119 + QD2 LEU 103 OK 49 98 75 67 3.1-5.6 ~11426=22, 3397/2.1=18...(11) HA SER 60 - QD2 LEU 103 poor 20 99 40 50 3.7-6.3 10977/11832=27...(6) HB3 SER 99 - QD2 LEU 103 poor 14 97 25 58 3.2-7.4 11475/11822=16...(13) HA LEU 96 - QD2 LEU 103 far 0 71 0 - 6.3-9.5 HA SER 50 - QD2 LEU 103 far 0 83 0 - 8.4-11.8 HA LYS 95 - QD2 LEU 103 far 0 100 0 - 8.9-12.2 HA GLN 68 - QD2 LEU 103 far 0 76 0 - 9.2-12.0 HB3 SER 124 - QD2 LEU 103 far 0 95 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 3406 from cnoeabs.peaks (1.58, 0.74, 25.24 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.2-3.2 3.1=100 HG LEU 103 + QD2 LEU 103 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD2 LEU 103 poor 19 65 60 49 3.3-7.3 3.0/3386=10, ~3376=7...(21) HG LEU 49 - QD2 LEU 103 far 0 100 0 - 6.6-11.6 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 7.8-11.3 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 2.0-3.2 3.1=100 HG LEU 100 + QD2 LEU 103 OK 37 90 60 68 3.3-6.8 9399/11832=11, ~11793=10...(19) HB3 LEU 122 - QD2 LEU 103 poor 14 100 25 57 4.2-7.0 3386=15, 3764/3405=10...(21) HB2 LEU 100 - QD2 LEU 103 poor 12 60 20 - 3.8-6.7 HB3 LEU 123 - QD2 LEU 103 far 0 38 0 - 6.1-9.8 HB3 LEU 98 - QD2 LEU 103 far 0 99 0 - 7.5-10.8 HB2 LEU 48 - QD2 LEU 103 far 0 96 0 - 8.4-14.2 Violated in 0 structures by 0.00 A. Peak 3408 from cnoeabs.peaks (1.56, 0.74, 25.24 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD2 LEU 103 OK 81 81 100 100 2.2-3.2 3.1=100 HB2 LEU 119 - QD2 LEU 103 poor 19 97 20 - 4.2-6.9 HG LEU 49 - QD2 LEU 103 far 0 90 0 - 6.6-11.6 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 7.8-11.3 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 119 - QD2 LEU 103 poor 16 85 50 37 2.3-5.5 3791/2.1=5, 3.9/3405=5...(16) QG1 VAL 63 - QD2 LEU 103 far 15 100 15 - 3.2-4.6 QD2 LEU 122 - QD2 LEU 103 poor 9 100 35 26 2.0-5.9 3376/3.1=6, 3.1/3386=4...(9) QD1 LEU 122 - QD2 LEU 103 poor 6 71 40 21 1.8-6.2 3.1/3386=4, 2.1/3406=3...(8) QD2 LEU 49 - QD2 LEU 103 far 0 92 0 - 3.8-8.7 QD1 LEU 53 - QD2 LEU 103 far 0 96 0 - 4.3-9.2 QD1 LEU 96 - QD2 LEU 103 far 0 97 0 - 5.0-7.8 Violated in 0 structures by 0.00 A. Peak 3410 from cnoeabs.peaks (0.74, 0.74, 25.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 Peak 3412 from cnoeabs.peaks (7.90, 4.09, 58.10 ppm; 3.81 A): 2 out of 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 OK 51 100 65 78 4.3-5.6 7535/3.6=59...(10) HD22 ASN 116 - HA GLN 104 far 0 83 0 - 6.4-10.2 H SER 106 - HA LEU 98 far 0 57 0 - 7.3-10.9 H GLN 104 - HA LEU 98 far 0 58 0 - 7.8-9.3 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): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 97 - HA LEU 98 poor 17 31 55 - 3.8-5.6 HB2 GLN 101 - HA LEU 98 far 5 45 10 - 4.3-5.1 HB2 GLN 101 - HA GLN 104 far 0 89 0 - 7.0-8.8 HB3 LEU 69 - HA LEU 48 far 0 33 0 - 8.2-11.9 HB3 GLN 68 - HA LEU 48 far 0 49 0 - 9.1-11.9 HB2 GLN 104 - HA LEU 98 far 0 58 0 - 9.6-11.3 HB2 GLN 68 - HA LEU 48 far 0 25 0 - 9.6-11.9 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 2.2-2.7 3.0=100 HB3 GLU 97 + HA LEU 98 OK 35 56 65 97 3.8-5.6 7359/2.9=55, ~7358=34...(17) HB2 GLN 101 - HA LEU 98 poor 9 47 20 - 4.3-5.1 HB3 GLU 102 - HA LEU 98 far 0 55 0 - 5.9-8.3 HB2 GLN 101 - HA GLN 104 far 0 90 0 - 7.0-8.8 HB3 GLU 102 - HA GLN 104 far 0 99 0 - 7.5-8.4 HB3 LEU 96 - HA LEU 98 far 0 49 0 - 7.9-8.7 HG2 GLN 68 - HA LEU 48 far 0 51 0 - 8.1-11.4 HB3 GLN 104 - HA LEU 98 far 0 58 0 - 8.2-11.4 HB2 GLN 68 - HA LEU 48 far 0 54 0 - 9.6-11.9 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 3.4-3.8 3.9=91, 1.8/3417=73...(22) HG2 GLU 102 - HA LEU 98 far 4 37 10 - 4.1-7.0 HG3 GLU 55 - HA LEU 48 far 0 43 0 - 7.2-12.0 HG2 GLU 102 - HA GLN 104 far 0 76 0 - 7.5-10.2 HG2 GLN 104 - HA LEU 98 far 0 58 0 - 7.5-9.0 HG2 GLN 127 - HA LEU 48 far 0 29 0 - 8.0-9.7 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 2.8-4.2 3.9=100 HG3 GLN 104 - HA LEU 98 far 0 58 0 - 7.5-9.3 HG3 GLN 127 - HA LEU 48 far 0 46 0 - 8.0-10.3 HG2 GLU 55 - HA LEU 48 far 0 52 0 - 8.0-10.5 HG2 MET 11 - HA GLN 104 far 0 99 0 - 8.7-50.3 Violated in 14 structures by 0.04 A. Peak 3418 from cnoeabs.peaks (6.96, 4.09, 58.10 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.95: * HE21 GLN 104 + HA GLN 104 OK 95 100 95 100 4.4-5.6 1.7/7510=93, 3.5/3416=72...(17) HE21 GLN 104 - HA LEU 98 far 0 58 0 - 8.5-12.6 Violated in 17 structures by 0.32 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 2.7-4.1 5.5=100 H LEU 62 - HA GLN 104 far 0 99 0 - 7.0-8.7 H GLN 61 - HA GLN 104 far 0 99 0 - 7.2-9.2 HE22 GLN 104 - HA LEU 98 far 0 58 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 3420 from cnoeabs.peaks (7.62, 4.09, 58.10 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 105 + HA GLN 104 OK 100 100 100 100 3.3-3.6 3.6=100 H VAL 105 - HA LEU 98 far 0 58 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (4.10, 2.19, 29.39 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.96: HA GLN 104 + HB2 GLN 104 OK 93 93 100 100 2.3-3.0 3.0=100 * HA GLN 101 + HB2 GLN 104 OK 38 100 40 95 4.1-5.6 3282/7493=55...(11) HA LEU 98 - HB2 GLN 104 far 0 100 0 - 9.6-11.3 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 3.0-3.6 7493=100, 7494/1.8=87...(20) H SER 106 - HB2 GLN 104 far 0 100 0 - 4.8-6.4 HD22 ASN 116 - HB2 GLN 104 far 0 83 0 - 8.5-12.2 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 4 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 101 - HB2 GLN 104 poor 19 93 20 - 4.1-5.6 HA LEU 98 - HB2 GLN 104 far 0 89 0 - 9.6-11.3 HB THR 65 - HB2 GLN 104 far 0 76 0 - 9.9-13.0 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 4 assignments used, quality = 1.00: * HB3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB2 GLN 104 far 0 90 0 - 5.9-7.9 HB3 GLU 102 - HB2 GLN 104 far 0 99 0 - 7.6-9.5 HB3 GLU 97 - HB2 GLN 104 far 0 99 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (2.38, 2.19, 29.39 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 102 - HB2 GLN 104 far 0 76 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 3427 from cnoeabs.peaks (2.47, 2.19, 29.39 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB2 GLN 104 far 0 99 0 - 7.6-51.0 Violated in 0 structures by 0.00 A. Peak 3429 from cnoeabs.peaks (7.43, 2.19, 29.39 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HB2 GLN 104 OK 100 100 100 100 1.7-3.7 4.5=100 H LEU 62 - HB2 GLN 104 far 5 99 5 - 7.6-10.8 H GLN 61 - HB2 GLN 104 far 0 99 0 - 8.1-11.0 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 2.2-4.2 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): 2 out of 3 assignments used, quality = 0.96: HA GLN 104 + HB3 GLN 104 OK 93 93 100 100 2.2-2.7 3.0=100 * HA GLN 101 + HB3 GLN 104 OK 43 100 45 96 2.9-5.7 3282/7494=52...(13) HA LEU 98 - HB3 GLN 104 far 0 100 0 - 8.2-11.4 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 2.2-3.5 7494=100, 7493/1.8=89...(24) H SER 106 - HB3 GLN 104 far 0 100 0 - 5.6-6.9 HD22 ASN 116 - HB3 GLN 104 far 0 83 0 - 7.3-11.4 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (4.09, 2.22, 29.39 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-2.7 3.0=100 HA GLN 101 + HB3 GLN 104 OK 30 93 35 91 2.9-5.7 3282/7494=36...(12) HA LEU 98 - HB3 GLN 104 far 0 89 0 - 8.2-11.4 HB THR 65 - HB3 GLN 104 far 0 76 0 - 9.0-12.3 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 5 assignments used, quality = 1.00: * HB2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB3 GLN 104 far 0 89 0 - 5.1-7.9 HB3 GLU 97 - HB3 GLN 104 far 0 65 0 - 8.2-12.8 HB3 GLN 68 - HB3 GLN 104 far 0 97 0 - 9.5-13.5 HB2 GLN 68 - HB3 GLN 104 far 0 57 0 - 9.6-15.0 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 2.6-3.0 3.0=100 HG2 GLU 102 - HB3 GLN 104 far 0 76 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 3437 from cnoeabs.peaks (2.47, 2.22, 29.39 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB3 GLN 104 far 0 99 0 - 7.3-49.7 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 1.8-3.4 4.5=100 H LEU 62 - HB3 GLN 104 poor 20 99 20 - 6.7-9.7 H GLN 61 - HB3 GLN 104 far 5 99 5 - 7.7-9.5 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 3.6-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 3441 from cnoeabs.peaks (7.90, 2.38, 34.44 ppm; 4.29 A): 3 out of 4 assignments used, quality = 1.00: * H GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.6-3.0 7495=100, 7496/1.8=95...(24) H SER 106 + HG2 GLN 104 OK 89 100 95 93 4.2-5.6 7535/7525=52...(12) H GLU 128 + HG2 GLU 128 OK 77 77 100 100 2.3-4.7 4.6=84, 4110/1.8=80...(18) HD22 ASN 116 - HG2 GLN 104 far 0 83 0 - 7.5-11.1 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 4 assignments used, quality = 1.00: * HA GLN 104 + HG2 GLN 104 OK 100 100 100 100 3.4-3.8 3416=91, 3417/1.8=64...(22) HA GLN 101 + HG2 GLN 104 OK 77 93 100 82 2.0-4.0 3451/1.8=31...(11) HA PHE 89 - HG2 GLU 128 far 0 83 0 - 4.7-7.9 HA LEU 98 - HG2 GLN 104 far 0 89 0 - 7.5-9.0 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 5 assignments used, quality = 1.00: * HB2 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 13 89 15 - 3.5-5.5 HB3 GLU 97 - HG2 GLN 104 far 0 65 0 - 7.5-10.7 HB VAL 133 - HG2 GLU 128 far 0 83 0 - 8.7-11.6 HB3 LEU 69 - HG2 GLU 128 far 0 54 0 - 8.8-13.2 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 2.6-3.0 3.0=100 HB3 GLU 128 + HG2 GLU 128 OK 83 83 100 100 2.3-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 9 90 10 - 3.5-5.5 HG2 GLU 91 - HG2 GLU 128 far 4 82 5 - 3.9-6.4 HB3 LEU 96 - HG2 GLU 128 far 0 73 0 - 5.3-8.7 HB3 GLN 127 - HG2 GLU 128 far 0 82 0 - 5.3-7.4 HB3 GLU 102 - HG2 GLN 104 far 0 99 0 - 6.2-7.2 HB3 GLU 97 - HG2 GLN 104 far 0 99 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 3445 from cnoeabs.peaks (2.38, 2.38, 34.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HG2 GLN 104 OK 100 100 - 100 HG2 GLU 128 + HG2 GLU 128 OK 80 80 - 100 Peak 3446 from cnoeabs.peaks (2.47, 2.38, 34.44 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 127 - HG2 GLU 128 far 0 73 0 - 6.5-9.4 HG2 MET 11 - HG2 GLN 104 far 0 99 0 - 7.8-52.4 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 3.7-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (7.43, 2.38, 34.44 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.7-3.5 3.5=100 QE PHE 89 - HG2 GLU 128 far 0 48 0 - 6.8-9.4 H LEU 62 - HG2 GLN 104 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3449 from cnoeabs.peaks (7.62, 2.38, 34.44 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HG2 GLN 104 OK 100 100 100 100 1.8-3.4 5.0=100 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (7.90, 2.47, 34.44 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 104 + HG3 GLN 104 OK 100 100 100 100 1.9-3.6 7496=100, 7495/1.8=74...(19) H SER 106 - HG3 GLN 104 far 0 100 0 - 4.8-6.4 HD22 ASN 116 - HG3 GLN 104 far 0 83 0 - 8.6-12.4 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 4 assignments used, quality = 1.00: * HA GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.8-4.2 3417=76, 3416/1.8=68...(21) HA GLN 101 + HG3 GLN 104 OK 74 93 100 79 1.8-4.3 3442/1.8=31...(8) HA LEU 98 - HG3 GLN 104 far 0 89 0 - 7.5-9.3 HB THR 65 - HG3 GLN 104 far 0 76 0 - 9.8-12.3 Violated in 0 structures by 0.00 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 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 9 89 10 - 3.4-6.5 HB3 GLU 97 - HG3 GLN 104 far 0 65 0 - 7.2-10.9 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 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 9 90 10 - 3.4-6.5 HB3 GLU 102 - HG3 GLN 104 far 0 99 0 - 6.9-8.3 HB3 GLU 97 - HG3 GLN 104 far 0 99 0 - 7.2-10.9 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 - 7.1-9.3 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 3.7-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (7.43, 2.47, 34.44 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.7-3.5 3.5=100 H LEU 62 - HG3 GLN 104 far 0 99 0 - 8.1-11.4 H GLN 61 - HG3 GLN 104 far 0 99 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 3458 from cnoeabs.peaks (7.62, 2.47, 34.44 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HG3 GLN 104 OK 100 100 100 100 1.9-4.3 5.0=93, 7499/7496=85...(8) 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 1 assignment used, quality = 1.00: * H VAL 105 + HA VAL 105 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (4.19, 4.19, 62.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 105 + HA VAL 105 OK 100 100 - 100 Peak 3461 from cnoeabs.peaks (2.26, 4.19, 62.60 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + HA VAL 105 OK 100 100 100 100 2.4-2.8 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 2 assignments used, quality = 1.00: * QG1 VAL 105 + HA VAL 105 OK 100 100 100 100 2.0-2.4 3473=100, 2.1/3479=69...(12) QD1 LEU 119 - HA VAL 105 far 0 87 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3463 from cnoeabs.peaks (1.00, 4.19, 62.60 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 105 + HA VAL 105 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 118 - HA VAL 105 far 0 99 0 - 7.6-9.5 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 - 5.0-5.6 HD22 ASN 116 - HA VAL 105 far 0 87 0 - 8.1-13.1 Violated in 0 structures by 0.00 A. Peak 3465 from cnoeabs.peaks (4.05, 2.26, 31.98 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 102 + HB VAL 105 OK 100 100 100 100 4.0-5.0 10086/2.1=92, 3331=55...(13) HA LEU 119 - HB3 PRO 113 far 0 54 0 - 8.8-12.3 Violated in 19 structures by 0.35 A. Peak 3466 from cnoeabs.peaks (7.62, 2.26, 31.98 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 105 + HB VAL 105 OK 100 100 100 100 3.4-3.7 7530=100, 3478/2.1=81...(11) HD21 ASN 120 - HB3 PRO 113 far 0 71 0 - 7.0-14.2 Violated in 16 structures by 0.02 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 2.4-2.8 3.0=100 HA LEU 53 - HB3 PRO 113 far 0 77 0 - 7.3-12.9 HA SER 99 - HB VAL 105 far 0 65 0 - 9.4-10.4 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 - 4.3-5.2 QD1 LEU 119 - HB3 PRO 113 far 0 68 0 - 4.3-7.1 QD2 LEU 53 - HB3 PRO 113 far 0 83 0 - 6.4-11.9 QG1 VAL 57 - HB3 PRO 113 far 0 79 0 - 6.7-12.1 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 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 99 0 - 6.7-9.3 QG2 VAL 118 - HB3 PRO 113 far 0 83 0 - 9.1-12.9 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 5 assignments used, quality = 1.00: * H SER 106 + HB VAL 105 OK 100 100 100 100 2.6-3.7 7537=100, 7539/2.1=75...(13) H THR 115 - HB3 PRO 113 far 12 83 15 - 2.8-6.7 H GLN 104 - HB VAL 105 far 0 100 0 - 5.7-6.6 HD22 ASN 116 - HB VAL 105 far 0 87 0 - 7.1-13.4 HD22 ASN 116 - HB3 PRO 113 far 0 68 0 - 7.1-12.8 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 1.9-3.5 7531=100, 3478/2.1=78...(12) HD21 ASN 13 - QG1 VAL 105 far 0 78 0 - 9.1-39.5 HD21 ASN 120 - QG1 VAL 112 far 0 56 0 - 9.4-13.7 Violated in 1 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 = 1.00: * HA VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.4 3462=90, 3479/2.1=65...(12) HA SER 99 - QG1 VAL 105 far 0 65 0 - 7.3-9.2 HA HIS 67 - QG1 VAL 105 far 0 65 0 - 7.7-11.1 HA LEU 53 - QG1 VAL 112 far 0 62 0 - 8.6-12.4 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 3 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 - 4.3-5.2 HG2 GLU 97 - QG1 VAL 105 far 0 99 0 - 8.2-13.0 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 - 6.4-8.7 QG2 VAL 118 - QG1 VAL 112 far 0 67 0 - 7.0-9.8 Violated in 0 structures by 0.00 A. Peak 3477 from cnoeabs.peaks (7.90, 0.96, 20.99 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * H SER 106 + QG1 VAL 105 OK 100 100 100 100 3.8-4.0 7538=93, 7537/2.1=71...(16) H GLN 104 + QG1 VAL 105 OK 52 100 55 95 4.0-5.4 10070/2.1=64...(6) H THR 115 - QG1 VAL 112 poor 19 67 30 94 3.0-5.8 7607/10194=52...(11) HD22 ASN 116 - QG1 VAL 112 far 0 53 0 - 5.6-9.3 HD22 ASN 116 - QG1 VAL 105 far 0 87 0 - 7.8-11.8 Violated in 12 structures by 0.05 A. Peak 3478 from cnoeabs.peaks (7.62, 1.00, 20.13 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + QG2 VAL 105 OK 100 100 100 100 1.7-2.2 7532=91, 7530/2.1=51...(15) Violated in 0 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (4.19, 1.00, 20.13 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 105 + QG2 VAL 105 OK 100 100 100 100 3.1-3.2 3.2=92, 3473/2.1=64...(11) HA SER 99 - QG2 VAL 105 far 0 65 0 - 6.0-6.7 HA HIS 67 - QG2 VAL 105 far 0 65 0 - 7.3-10.8 Violated in 17 structures by 0.07 A. Peak 3480 from cnoeabs.peaks (2.26, 1.00, 20.13 ppm; 2.75 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 97 - QG2 VAL 105 far 0 99 0 - 7.3-11.6 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 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 87 0 - 8.0-10.3 QD2 LEU 53 - QG2 VAL 105 far 0 99 0 - 9.1-15.0 QG2 VAL 126 - QG2 VAL 105 far 0 100 0 - 9.6-11.1 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 1.8-2.1 7539=77, 7537/2.1=59...(18) H GLN 104 + QG2 VAL 105 OK 94 100 100 94 3.2-4.0 10070=63, 7499/3478=51...(8) HD22 ASN 116 - QG2 VAL 105 far 0 87 0 - 5.5-9.7 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 4 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 - 4.4-11.4 H GLN 104 - HA SER 106 far 0 100 0 - 6.5-7.3 H THR 115 - HA SER 106 far 0 99 0 - 9.9-18.5 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 6 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 2.4-3.0 3.0=100 HB3 SER 107 - HA SER 106 far 0 99 0 - 4.7-6.4 HD3 PRO 117 - HA SER 106 far 0 93 0 - 7.4-13.0 HA3 GLY 111 - HA SER 106 far 0 81 0 - 9.3-14.2 HA LEU 100 - HA SER 106 far 0 100 0 - 9.6-11.0 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 2.4-3.0 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 - 4.7-6.4 HD3 PRO 117 - HA SER 106 far 0 68 0 - 7.4-13.0 HA LEU 100 - HA SER 106 far 0 89 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3488 from cnoeabs.peaks (8.23, 4.46, 58.89 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H SER 107 + HA SER 106 OK 100 100 100 100 3.0-3.6 7546=100, 7543/2.9=46...(8) Violated in 13 structures by 0.17 A. Peak 3489 from cnoeabs.peaks (7.90, 3.97, 63.90 ppm; 3.53 A): 2 out of 12 assignments used, quality = 0.99: * H SER 106 + HB2 SER 106 OK 96 100 100 96 2.1-3.7 4.0=67, 7542/1.8=39...(13) H SER 106 + HB3 SER 106 OK 84 87 100 97 2.2-3.6 4.0=67, 7541/1.8=39...(15) HD22 ASN 116 - HB3 SER 106 poor 14 70 20 - 2.9-9.4 HD22 ASN 116 - HB2 SER 106 far 13 87 15 - 2.1-10.7 H GLN 104 - HB3 SER 107 far 0 76 0 - 4.6-7.8 H SER 106 - HB3 SER 107 far 0 76 0 - 4.6-6.3 HD22 ASN 116 - HB3 SER 107 far 0 60 0 - 5.0-12.6 H GLN 104 - HB2 SER 106 far 0 100 0 - 5.0-7.6 H GLN 104 - HB3 SER 106 far 0 87 0 - 5.0-7.6 H THR 115 - HB3 SER 107 far 0 75 0 - 7.5-16.7 H THR 115 - HB2 SER 106 far 0 99 0 - 8.4-17.6 H THR 115 - HB3 SER 106 far 0 85 0 - 9.1-16.4 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 2.4-3.0 3.0=100 HA SER 106 - HB3 SER 107 far 0 76 0 - 4.7-6.4 HA PRO 58 - HB3 SER 107 far 0 76 0 - 6.4-12.2 HA ASP 64 - HB3 SER 107 far 0 76 0 - 8.3-15.3 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 100 100 100 100 2.5-4.6 4.5=89, 7546/3.0=82...(13) H SER 107 + HB3 SER 106 OK 87 87 100 100 2.4-4.3 4.5=89, 7546/3.0=82...(14) H SER 107 + HB3 SER 107 OK 76 76 100 100 2.2-4.0 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 97 100 100 97 2.2-3.6 4.0=65, 7541/1.8=38...(15) H SER 106 + HB2 SER 106 OK 83 87 100 96 2.1-3.7 4.0=65, 7542/1.8=38...(12) HD22 ASN 116 - HB3 SER 106 poor 17 87 20 - 2.9-9.4 HD22 ASN 116 - HB2 SER 106 far 10 70 15 - 2.1-10.7 H GLN 104 - HB3 SER 107 far 0 46 0 - 4.6-7.8 H SER 106 - HB3 SER 107 far 0 46 0 - 4.6-6.3 HD22 ASN 116 - HB3 SER 107 far 0 35 0 - 5.0-12.6 H GLN 104 - HB2 SER 106 far 0 87 0 - 5.0-7.6 H GLN 104 - HB3 SER 106 far 0 100 0 - 5.0-7.6 H THR 115 - HB3 SER 107 far 0 44 0 - 7.5-16.7 H THR 115 - HB2 SER 106 far 0 85 0 - 8.4-17.6 H THR 115 - HB3 SER 106 far 0 99 0 - 9.1-16.4 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 2.4-3.0 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 - 4.7-6.4 HA PRO 58 - HB3 SER 107 far 0 45 0 - 6.4-12.2 HA ASP 64 - HB3 SER 107 far 0 46 0 - 8.3-15.3 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 2.4-4.3 4.5=94, 7546/3.0=83...(14) H SER 107 + HB2 SER 106 OK 87 87 100 100 2.5-4.6 4.5=94, 7546/3.0=83...(13) H SER 107 + HB3 SER 107 OK 46 46 100 100 2.2-4.0 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 5 assignments used, quality = 1.00: * H SER 107 + HA SER 107 OK 100 100 100 100 2.3-2.9 3.0=100 H SER 33 + HA SER 33 OK 89 89 100 100 2.8-2.9 3.0=100 H LYS 31 - HA SER 33 far 0 89 0 - 7.3-8.0 H GLU 30 - HA SER 33 far 0 50 0 - 7.5-10.1 H ALA 29 - HA SER 33 far 0 79 0 - 8.1-12.0 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (4.39, 4.39, 58.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 107 + HA SER 107 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 94 94 - 100 HA SER 33 + HA SER 33 OK 85 85 - 100 Peak 3501 from cnoeabs.peaks (3.92, 4.39, 58.42 ppm; 3.37 A): 2 out of 12 assignments used, quality = 1.00: * HB2 SER 107 + HA SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 33 + HA SER 33 OK 83 83 100 100 2.6-3.0 3.0=100 HA2 GLY 111 - HA SER 107 far 5 98 5 - 4.0-11.1 HB2 SER 60 - HA SER 107 far 0 93 0 - 4.8-11.3 HA3 GLY 111 - HA SER 107 far 0 76 0 - 5.0-10.5 HD3 PRO 117 - HA SER 107 far 0 57 0 - 5.5-13.4 HB3 SER 60 - HA SER 107 far 0 93 0 - 5.7-11.4 HA3 GLY 14 - HA SER 9 far 0 95 0 - 7.9-17.4 HA2 GLY 14 - HA SER 9 far 0 94 0 - 8.4-17.2 HA ALA 41 - HA SER 33 far 0 80 0 - 8.6-13.1 HA3 GLY 75 - HA SER 33 far 0 70 0 - 8.6-13.1 HD3 PRO 113 - HA SER 107 far 0 92 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 3502 from cnoeabs.peaks (3.96, 4.39, 58.42 ppm; 3.66 A): 3 out of 8 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 106 + HA SER 107 OK 26 87 35 86 4.2-6.0 ~7546=23, ~3488=22...(16) HB2 SER 106 + HA SER 107 OK 22 99 25 87 4.2-5.9 ~7546=23, ~3488=22...(15) HA2 GLY 111 - HA SER 107 far 3 60 5 - 4.0-11.1 HA3 GLY 111 - HA SER 107 far 0 92 0 - 5.0-10.5 HD3 PRO 117 - HA SER 107 far 0 99 0 - 5.5-13.4 HA LEU 100 - HA SER 107 far 0 100 0 - 8.1-9.9 HD3 PRO 113 - HA SER 107 far 0 76 0 - 9.5-14.1 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 4 assignments used, quality = 1.00: * H ALA 108 + HA SER 107 OK 100 100 100 100 2.5-3.6 3.6=100 H ALA 109 + HA SER 107 OK 53 100 75 71 3.1-6.7 4.6/7555=41...(8) H LEU 103 - HA SER 107 far 0 100 0 - 5.4-8.2 H ASN 120 - HA SER 107 far 0 100 0 - 9.1-15.2 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 5 assignments used, quality = 0.98: H SER 33 + HB2 SER 33 OK 87 87 100 100 2.5-3.3 6367=95, 945/1.8=79...(12) * H SER 107 + HB2 SER 107 OK 87 100 100 87 2.3-4.0 4.1=64, 7554/7556=39...(5) H LYS 31 - HB2 SER 33 far 0 87 0 - 7.1-8.7 H GLU 30 - HB2 SER 33 far 0 49 0 - 8.3-10.3 H ALA 29 - HB2 SER 33 far 0 77 0 - 9.5-12.8 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 2.3-3.0 3.0=100 HA SER 33 + HB2 SER 33 OK 83 83 100 100 2.6-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 0 90 0 - 7.6-16.4 HA PRO 117 - HB2 SER 107 far 0 81 0 - 8.2-18.2 HA THR 115 - HB2 SER 107 far 0 95 0 - 8.2-18.8 HA ASP 71 - HB2 SER 33 far 0 49 0 - 8.2-12.8 Violated in 0 structures by 0.00 A. Peak 3506 from cnoeabs.peaks (3.92, 3.92, 63.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 107 + HB2 SER 107 OK 100 100 - 100 HB2 SER 33 + HB2 SER 33 OK 81 81 - 100 Peak 3507 from cnoeabs.peaks (3.96, 3.92, 63.62 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 107 + HB2 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 111 - HB2 SER 107 far 0 60 0 - 4.3-12.6 HB3 SER 106 - HB2 SER 107 far 0 87 0 - 5.0-7.0 HB2 SER 106 - HB2 SER 107 far 0 99 0 - 5.3-7.3 HD3 PRO 117 - HB2 SER 107 far 0 99 0 - 5.5-15.5 HA3 GLY 111 - HB2 SER 107 far 0 92 0 - 5.7-12.0 HA LEU 100 - HB2 SER 107 far 0 100 0 - 7.4-12.3 HD3 PRO 113 - HB2 SER 107 far 0 76 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 3508 from cnoeabs.peaks (8.08, 3.92, 63.62 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 108 + HB2 SER 107 OK 100 100 100 100 3.2-4.3 4.7=100 H ALA 109 + HB2 SER 107 OK 98 100 100 98 2.4-7.1 4.6/7556=90, 3503/3.0=35...(11) H LEU 103 - HB2 SER 107 lone 4 100 30 15 6.3-9.8 7477/11923=5...(4) H ASN 120 - HB2 SER 107 far 0 100 0 - 8.4-18.0 H THR 25 - HB2 SER 33 far 0 62 0 - 8.7-21.9 H VAL 20 - HB2 SER 33 far 0 70 0 - 9.3-23.9 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 2.2-4.0 4.1=100 H SER 107 + HB2 SER 106 OK 76 76 100 100 2.5-4.6 4.5=86, 7546/3.0=80...(13) H SER 107 + HB3 SER 106 OK 46 46 100 100 2.4-4.3 4.5=86, 7546/3.0=80...(14) Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (4.39, 3.96, 63.62 ppm; 4.04 A): 3 out of 10 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 107 + HB3 SER 106 OK 25 46 60 92 4.2-6.0 ~7546=29, ~3488=29...(16) HA SER 107 + HB2 SER 106 OK 21 76 30 93 4.2-5.9 ~7546=29, ~3488=29...(15) HA PRO 117 - HB2 SER 106 far 0 55 0 - 8.4-14.2 HA THR 115 - HB3 SER 106 far 0 40 0 - 8.9-16.6 HA PRO 117 - HB3 SER 107 far 0 81 0 - 9.2-17.7 HA THR 115 - HB2 SER 106 far 0 68 0 - 9.2-17.6 HA THR 115 - HB3 SER 107 far 0 95 0 - 9.3-18.8 HA PRO 113 - HB3 SER 107 far 0 90 0 - 9.3-16.2 HA PRO 117 - HB3 SER 106 far 0 31 0 - 9.5-13.5 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 HB3 SER 60 - HB3 SER 107 far 0 93 0 - 3.7-10.0 HB2 SER 60 - HB3 SER 107 far 0 93 0 - 4.4-11.2 HB2 SER 107 - HB3 SER 106 far 0 46 0 - 5.0-7.0 HB2 SER 107 - HB2 SER 106 far 0 76 0 - 5.3-7.3 HD3 PRO 117 - HB2 SER 106 far 0 37 0 - 5.4-11.5 HA2 GLY 111 - HB3 SER 107 far 0 98 0 - 5.5-12.8 HD3 PRO 117 - HB3 SER 106 far 0 20 0 - 5.8-10.6 HA3 GLY 111 - HB3 SER 107 far 0 76 0 - 5.8-12.0 HD3 PRO 117 - HB3 SER 107 far 0 57 0 - 6.4-14.9 HA2 GLY 111 - HB3 SER 106 far 0 43 0 - 7.0-13.7 HA3 GLY 111 - HB2 SER 106 far 0 51 0 - 7.0-14.4 HA3 GLY 111 - HB3 SER 106 far 0 29 0 - 7.2-15.2 HA2 GLY 111 - HB2 SER 106 far 0 72 0 - 7.8-14.1 HD3 PRO 113 - HB2 SER 106 far 0 65 0 - 9.3-17.4 HB2 SER 60 - HB3 SER 106 far 0 39 0 - 9.3-14.7 HB2 SER 60 - HB2 SER 106 far 0 66 0 - 9.8-15.4 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): 4 out of 11 assignments used, quality = 1.00: * H ALA 108 + HB3 SER 107 OK 100 100 100 100 2.3-4.7 7555/3.0=80, 7556/1.8=78...(14) H ALA 108 + HB2 SER 106 OK 64 76 85 99 2.9-6.9 7554/4.5=55...(16) H ALA 109 + HB3 SER 107 OK 33 100 45 73 2.5-8.2 3503/3.0=24, 4.6/7557=23...(11) H ALA 108 + HB3 SER 106 OK 29 46 65 99 2.7-6.8 7554/4.5=55...(16) H ALA 109 - HB2 SER 106 poor 19 76 25 - 2.9-8.9 H LEU 103 - HB3 SER 106 poor 17 46 50 75 4.5-7.6 7463=26, 7478/4.0=24...(12) H LEU 103 - HB2 SER 106 poor 15 76 20 - 4.7-7.2 H ALA 109 - HB3 SER 106 poor 11 46 25 - 4.2-9.2 H LEU 103 - HB3 SER 107 far 5 100 5 - 4.7-9.7 H ASN 120 - HB3 SER 107 far 0 100 0 - 8.5-17.3 H ASN 120 - HB2 SER 106 far 0 76 0 - 8.8-14.8 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 14 assignments used, quality = 1.00: * H ALA 108 + HA ALA 108 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 109 + HA ALA 108 OK 100 100 100 100 2.2-3.6 3.6=100 H ALA 109 + HA ALA 109 OK 59 59 100 100 2.7-2.9 3.0=100 H ALA 109 + HA ALA 110 OK 55 96 65 87 4.0-6.0 4.7/7570=34, 7567/3.6=21...(17) H VAL 20 + HA ALA 21 OK 37 39 100 95 4.3-5.2 6173/3.0=68, ~6176=38...(8) H ALA 108 - HA ALA 109 poor 11 59 35 54 4.7-5.6 ~7564=17, ~7566=17...(5) H VAL 20 - HA ALA 16 far 8 77 10 - 4.0-8.5 H ALA 108 - HA ALA 110 far 5 97 5 - 4.9-9.0 H LEU 103 - HA ALA 108 far 0 100 0 - 6.3-11.5 H VAL 20 - HA ALA 15 far 0 61 0 - 7.5-11.9 H THR 25 - HA ALA 21 far 0 34 0 - 8.5-10.5 H LEU 103 - HA ALA 109 far 0 59 0 - 8.5-13.2 H VAL 20 - HA ALA 12 far 0 45 0 - 8.9-19.6 H LEU 103 - HA ALA 110 far 0 97 0 - 9.9-15.6 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 19 - HA ALA 16 far 7 73 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 59 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 59 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 58 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 94 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 96 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 100 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 97 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 100 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 48 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 59 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 36 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 50 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 58 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 51 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 36 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 42 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 42 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 92 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 62 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 51 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 51 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 93 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 76 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 50 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 51 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 94 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 30 0 - 10.0-18.9 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 4.35 A): 5 out of 14 assignments used, quality = 1.00: * H ALA 109 + HA ALA 108 OK 100 100 100 100 2.2-3.6 3.6=100 H ALA 108 + HA ALA 108 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 109 + HA ALA 109 OK 59 59 100 100 2.7-2.9 3.0=100 H ALA 109 + HA ALA 110 OK 55 97 65 87 4.0-6.0 4.7/7570=34, 7567/3.6=21...(17) H VAL 20 + HA ALA 21 OK 34 36 100 94 4.3-5.2 6173/3.0=63, ~6176=39...(8) H ALA 108 - HA ALA 109 poor 11 59 35 54 4.7-5.6 ~7564=17, ~7566=17...(5) H VAL 20 - HA ALA 16 far 7 73 10 - 4.0-8.5 H ALA 108 - HA ALA 110 far 5 96 5 - 4.9-9.0 H LEU 103 - HA ALA 108 far 0 100 0 - 6.3-11.5 H VAL 20 - HA ALA 15 far 0 58 0 - 7.5-11.9 H THR 25 - HA ALA 21 far 0 36 0 - 8.5-10.5 H LEU 103 - HA ALA 109 far 0 59 0 - 8.5-13.2 H VAL 20 - HA ALA 12 far 0 42 0 - 8.9-19.6 H LEU 103 - HA ALA 110 far 0 97 0 - 9.9-15.6 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 17 assignments used, quality = 1.00: * H ALA 108 + QB ALA 108 OK 100 100 100 100 2.0-2.9 2.9=100 H ALA 109 + QB ALA 109 OK 88 88 100 100 2.0-2.8 2.9=100 H ALA 109 + QB ALA 108 OK 74 100 100 74 2.0-3.7 3.7=60, 4.6/7559=28...(4) H LEU 103 - QB ALA 108 far 5 100 5 - 3.7-9.3 H ALA 108 - QB ALA 110 far 5 100 5 - 3.9-8.7 H ALA 108 - QB ALA 109 far 4 88 5 - 3.8-5.5 H THR 25 - QB ALA 28 far 4 76 5 - 2.9-10.5 H ALA 109 - QB ALA 110 far 0 100 0 - 4.3-5.9 H THR 25 - QB ALA 29 far 0 74 0 - 5.0-12.1 H VAL 20 - QB ALA 15 far 0 86 0 - 5.6-10.3 H VAL 20 - QB ALA 29 far 0 82 0 - 5.9-17.5 H VAL 20 - QB ALA 28 far 0 84 0 - 5.9-15.4 H LEU 103 - QB ALA 109 far 0 88 0 - 6.3-10.6 H LEU 103 - QB ALA 110 far 0 100 0 - 6.7-13.8 H ASN 120 - QB ALA 109 far 0 87 0 - 7.6-12.1 H ASN 120 - QB ALA 108 far 0 100 0 - 8.0-14.4 H ASN 120 - QB ALA 110 far 0 100 0 - 8.4-15.4 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 48 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 THR 25 - QB ALA 29 far 4 89 5 - 3.0-10.9 HA ARG 23 - QB ALA 28 far 0 96 0 - 3.6-12.8 HA ALA 109 - QB ALA 108 far 0 100 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 100 0 - 3.7-5.0 HA ALA 16 - QB ALA 15 far 0 100 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 86 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 100 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 91 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 99 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 88 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 88 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 95 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 97 0 - 4.5-7.6 HA THR 25 - QB ALA 28 far 0 91 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 97 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 98 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 98 0 - 5.1-10.2 HA LYS 26 - QB ALA 29 far 0 96 0 - 5.2-10.0 HA LYS 31 - QB ALA 28 far 0 99 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 96 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 98 0 - 5.8-7.6 HB THR 115 - QB ALA 108 far 0 100 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 95 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 91 0 - 6.7-18.6 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 97 0 - 7.0-26.2 HA ALA 21 - QB ALA 15 far 0 94 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 94 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 92 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 98 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 100 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 97 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 100 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 95 0 - 8.0-17.1 HA GLN 61 - QB ALA 28 far 0 99 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 89 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 98 0 - 8.2-21.5 HA GLN 61 - QB ALA 15 far 0 99 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 100 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 99 0 - 8.6-21.3 HA THR 18 - QB ALA 29 far 0 88 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 92 0 - 9.0-35.4 HA GLN 61 - QB ALA 109 far 0 87 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 99 0 - 9.6-14.8 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 17 assignments used, quality = 1.00: H ALA 108 + QB ALA 108 OK 100 100 100 100 2.0-2.9 2.9=100 H ALA 109 + QB ALA 109 OK 88 88 100 100 2.0-2.8 2.9=100 * H ALA 109 + QB ALA 108 OK 74 100 100 74 2.0-3.7 3.7=60, 4.6/7559=28...(4) H LEU 103 - QB ALA 108 far 5 100 5 - 3.7-9.3 H ALA 108 - QB ALA 110 far 5 100 5 - 3.9-8.7 H ALA 108 - QB ALA 109 far 4 88 5 - 3.8-5.5 H THR 25 - QB ALA 28 far 4 80 5 - 2.9-10.5 H ALA 109 - QB ALA 110 far 0 100 0 - 4.3-5.9 H THR 25 - QB ALA 29 far 0 78 0 - 5.0-12.1 H VAL 20 - QB ALA 15 far 0 82 0 - 5.6-10.3 H VAL 20 - QB ALA 29 far 0 78 0 - 5.9-17.5 H VAL 20 - QB ALA 28 far 0 80 0 - 5.9-15.4 H LEU 103 - QB ALA 109 far 0 88 0 - 6.3-10.6 H LEU 103 - QB ALA 110 far 0 100 0 - 6.7-13.8 H ASN 120 - QB ALA 109 far 0 86 0 - 7.6-12.1 H ASN 120 - QB ALA 108 far 0 99 0 - 8.0-14.4 H ASN 120 - QB ALA 110 far 0 99 0 - 8.4-15.4 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 14 assignments used, quality = 1.00: * H ALA 109 + HA ALA 109 OK 100 100 100 100 2.7-2.9 3.0=100 H ALA 108 + HA ALA 109 OK 76 100 100 76 4.7-5.6 ~7564=32, ~7566=32...(5) H VAL 20 + HA ALA 21 OK 62 62 100 100 4.3-5.2 6175/3.0=80, ~6176=73...(8) H ALA 109 + HA ALA 110 OK 61 62 100 98 4.0-6.0 4.7/7570=52, 7567/3.6=34...(17) H ALA 109 + HA ALA 108 OK 59 59 100 100 2.2-3.6 3.6=100 H ALA 108 + HA ALA 108 OK 59 59 100 100 2.3-2.9 3.0=100 H VAL 20 - HA ALA 16 poor 14 69 20 - 4.0-8.5 H ALA 108 - HA ALA 110 lone 6 62 60 17 4.9-9.0 4.6/7563=7, ~3529=4, ~3530=3 H LEU 103 - HA ALA 108 far 3 59 5 - 6.3-11.5 H VAL 20 - HA ALA 15 far 0 69 0 - 7.5-11.9 H THR 25 - HA ALA 21 far 0 62 0 - 8.5-10.5 H LEU 103 - HA ALA 109 far 0 100 0 - 8.5-13.2 H VAL 20 - HA ALA 12 far 0 75 0 - 8.9-19.6 H LEU 103 - HA ALA 110 far 0 62 0 - 9.9-15.6 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 19 - HA ALA 16 far 6 60 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 100 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 99 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 76 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 88 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 62 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 57 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 62 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 59 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 48 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 94 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 54 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 79 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 60 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 80 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 69 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 82 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 66 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 49 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 81 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 82 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 87 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 90 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 83 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 80 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 89 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 43 0 - 10.0-18.9 Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (8.30, 4.28, 52.35 ppm; 3.11 A): 6 out of 13 assignments used, quality = 1.00: H ALA 21 + HA ALA 21 OK 80 80 100 100 2.3-2.9 3.0=100 * H ALA 110 + HA ALA 109 OK 80 100 100 80 2.1-3.6 3.6=66, 7571/2.1=28...(8) 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 58 71 100 82 2.1-3.6 3.6=66, 6127/3.0=34...(6) H GLY 111 + HA ALA 110 OK 56 62 100 89 2.2-3.6 3.6=66, 7578/2.1=35...(12) H GLY 111 + HA ALA 109 OK 37 100 60 62 3.2-5.1 7578/2.1=19...(11) H GLY 111 - HA ALA 108 far 3 59 5 - 3.6-7.8 H ALA 110 - HA ALA 108 lone 1 59 35 4 3.3-6.5 11478/11966=2, 3529/2.1=1 H GLY 17 - HA ALA 15 far 0 71 0 - 4.1-6.3 H GLY 17 - HA ALA 21 far 0 64 0 - 5.8-9.5 H ALA 21 - HA ALA 16 far 0 88 0 - 6.2-9.9 H GLY 17 - HA ALA 12 far 0 77 0 - 6.5-15.7 H ALA 21 - HA ALA 15 far 0 87 0 - 8.0-12.6 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 19 assignments used, quality = 1.00: * H ALA 109 + QB ALA 109 OK 100 100 100 100 2.0-2.8 2.9=100 H ALA 109 + QB ALA 108 OK 88 88 100 100 2.0-3.7 3.7=100 H ALA 108 + QB ALA 108 OK 88 88 100 100 2.0-2.9 2.9=100 H ALA 108 + QB ALA 109 OK 82 100 95 86 3.8-5.5 7559/4.6=62...(10) H ALA 109 + QB ALA 110 OK 41 85 55 89 4.3-5.9 4.7/7571=34, 7567/3.7=21...(16) H ALA 108 - QB ALA 110 far 13 85 15 - 3.9-8.7 H THR 25 - QB ALA 28 far 8 53 15 - 2.9-10.5 H LEU 103 - QB ALA 108 far 4 88 5 - 3.7-9.3 H VAL 20 - QB ALA 16 far 3 32 10 - 3.7-8.6 H THR 25 - QB ALA 29 far 2 50 5 - 5.0-12.1 H VAL 20 - QB ALA 15 far 0 59 0 - 5.6-10.3 H VAL 20 - QB ALA 29 far 0 50 0 - 5.9-17.5 H VAL 20 - QB ALA 28 far 0 53 0 - 5.9-15.4 H LEU 103 - QB ALA 109 far 0 100 0 - 6.3-10.6 H LEU 103 - QB ALA 110 far 0 85 0 - 6.7-13.8 H ASN 120 - QB ALA 109 far 0 99 0 - 7.6-12.1 H ASN 120 - QB ALA 108 far 0 86 0 - 8.0-14.4 H ASN 120 - QB ALA 110 far 0 83 0 - 8.4-15.4 H THR 25 - QB ALA 16 far 0 32 0 - 8.6-16.8 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 61 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 3 69 5 - 3.6-12.8 HA THR 25 - QB ALA 29 far 3 59 5 - 3.0-10.9 HA ALA 109 - QB ALA 108 far 0 88 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 85 0 - 3.7-5.0 HA ALA 15 - QB ALA 16 far 0 43 0 - 3.7-4.3 HA ALA 16 - QB ALA 15 far 0 80 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 99 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 85 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 68 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 86 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 100 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 100 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 68 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 69 0 - 4.5-7.6 HA THR 18 - QB ALA 16 far 0 38 0 - 4.6-7.3 HA THR 25 - QB ALA 28 far 0 63 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 74 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 68 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 76 0 - 5.1-10.2 HA ARG 23 - QB ALA 16 far 0 43 0 - 5.2-13.6 HA LYS 26 - QB ALA 29 far 0 65 0 - 5.2-10.0 HA LYS 19 - QB ALA 16 far 0 42 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 46 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 73 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 69 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 68 0 - 5.8-7.6 HA SER 74 - QB ALA 16 far 0 39 0 - 5.9-32.2 HB THR 115 - QB ALA 108 far 0 88 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 64 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 60 0 - 6.7-18.6 HA ALA 21 - QB ALA 16 far 0 40 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 43 0 - 6.7-12.6 HA GLN 61 - QB ALA 110 far 0 84 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 67 0 - 7.0-26.2 HA LEU 22 - QB ALA 16 far 0 43 0 - 7.1-12.8 HA ALA 21 - QB ALA 15 far 0 71 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 63 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 64 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 68 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 84 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 75 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 80 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 64 0 - 8.0-17.1 HA LYS 26 - QB ALA 16 far 0 43 0 - 8.1-18.7 HA GLN 61 - QB ALA 28 far 0 72 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 61 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 76 0 - 8.2-21.5 HA LYS 36 - QB ALA 16 far 0 46 0 - 8.3-29.6 HA GLN 61 - QB ALA 15 far 0 79 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 87 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 73 0 - 8.6-21.3 HA THR 18 - QB ALA 29 far 0 57 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 69 0 - 9.0-35.4 HA GLN 61 - QB ALA 109 far 0 100 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 73 0 - 9.6-14.8 HA THR 25 - QB ALA 16 far 0 39 0 - 9.9-18.5 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 23 assignments used, quality = 1.00: * H ALA 110 + QB ALA 109 OK 100 100 100 100 2.0-3.7 3.7=100 H GLY 111 + QB ALA 109 OK 98 100 100 98 2.4-4.6 7581/10136=56...(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 2.6-3.7 3.7=100 H ALA 110 + QB ALA 108 OK 63 88 100 72 2.8-6.1 4.7/7566=46, 7571/4.6=41 H GLY 17 + QB ALA 15 OK 54 61 100 89 3.4-5.8 6127/3.7=84, 7578/4.7=17, 6131=9 H GLY 111 + QB ALA 108 OK 51 88 100 58 3.4-7.6 7567/3.7=39, 7578/4.6=29 H ALA 28 + QB ALA 28 OK 42 42 100 100 2.0-2.9 2.9=100 H ALA 28 + QB ALA 29 OK 39 39 100 100 4.5-6.0 4.6/6309=67, 6304/4.7=55...(18) H GLY 17 + QB ALA 16 OK 33 33 100 100 2.4-3.7 3.7=100 H ALA 21 - QB ALA 15 far 12 77 15 - 6.5-11.4 H ALA 21 - QB ALA 28 far 11 70 15 - 6.8-15.6 H LEU 69 - QB ALA 29 far 10 68 15 - 7.1-19.4 H SER 99 - QB ALA 108 far 4 84 5 - 7.1-14.6 H ALA 21 - QB ALA 29 far 3 66 5 - 6.4-17.8 H TYR 72 - QB ALA 29 far 2 48 5 - 7.7-17.3 H ALA 21 - QB ALA 16 lone 1 44 55 3 5.1-8.9 H GLY 17 - QB ALA 29 far 0 51 0 - 8.3-21.8 H GLY 17 - QB ALA 28 far 0 55 0 - 9.0-20.1 H ALA 28 - QB ALA 16 far 0 25 0 - 9.2-20.0 H LEU 49 - QB ALA 29 far 0 68 0 - 9.7-24.6 H TYR 72 - QB ALA 16 far 0 31 0 - 9.9-29.2 H GLU 40 - QB ALA 29 far 0 50 0 - 10.0-19.4 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 3.52 A): 6 out of 13 assignments used, quality = 1.00: * H ALA 110 + HA ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 111 + HA ALA 110 OK 99 100 100 99 2.2-3.6 3.6=96, 7578/2.1=42...(13) H ALA 21 + HA ALA 21 OK 71 71 100 100 2.3-2.9 3.0=100 H GLY 17 + HA ALA 16 OK 71 72 100 98 2.1-3.6 3.6=96, 6127/3.0=44...(6) H ALA 110 + HA ALA 109 OK 61 62 100 98 2.1-3.6 3.6=96, 7571/2.1=34...(8) H GLY 111 + HA ALA 109 OK 35 62 80 70 3.2-5.1 7578/2.1=23, 4.5/7572=16...(11) H GLY 17 - HA ALA 15 far 11 73 15 - 4.1-6.3 H GLY 111 - HA ALA 108 far 5 96 5 - 3.6-7.8 H ALA 110 - HA ALA 108 lone 2 97 40 5 3.3-6.5 11478/11966=2, 3529/2.1=2 H GLY 17 - HA ALA 21 far 0 56 0 - 5.8-9.5 H ALA 21 - HA ALA 16 far 0 88 0 - 6.2-9.9 H GLY 17 - HA ALA 12 far 0 57 0 - 6.5-15.7 H ALA 21 - HA ALA 15 far 0 89 0 - 8.0-12.6 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 19 - HA ALA 16 far 7 74 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 62 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 62 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 66 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 91 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 99 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 97 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 100 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 95 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 64 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 75 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 57 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 73 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 74 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 73 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 50 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 51 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 59 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 88 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 63 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 74 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 74 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 91 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 88 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 70 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 74 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 91 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 49 0 - 10.0-18.9 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 13 assignments used, quality = 1.00: H ALA 110 + HA ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 * H GLY 111 + HA ALA 110 OK 99 100 100 99 2.2-3.6 3.6=97, 7578/2.1=43...(13) H GLY 17 + HA ALA 16 OK 75 76 100 99 2.1-3.6 3.6=97, 6127/3.0=46...(6) H ALA 21 + HA ALA 21 OK 72 72 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 61 62 100 98 2.1-3.6 3.6=97, 7571/2.1=34...(10) H GLY 111 + HA ALA 109 OK 35 62 80 71 3.2-5.1 7578/2.1=23, 4.5/7572=16...(11) H GLY 17 - HA ALA 15 far 11 76 15 - 4.1-6.3 H GLY 111 - HA ALA 108 far 5 97 5 - 3.6-7.8 H ALA 110 - HA ALA 108 lone 2 96 40 5 3.3-6.5 11478/11966=3, 3529/2.1=2 H GLY 17 - HA ALA 21 far 0 59 0 - 5.8-9.5 H ALA 21 - HA ALA 16 far 0 90 0 - 6.2-9.9 H GLY 17 - HA ALA 12 far 0 60 0 - 6.5-15.7 H ALA 21 - HA ALA 15 far 0 90 0 - 8.0-12.6 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 19 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 110 OK 92 100 100 92 2.6-3.7 3.7=58, 7577/2.1=50...(10) H ALA 110 + QB ALA 109 OK 69 85 100 81 2.0-3.7 3.7=58, 7570/2.1=29...(10) H ALA 28 + QB ALA 28 OK 66 66 100 100 2.0-2.9 2.9=100 H GLY 111 + QB ALA 109 OK 50 85 80 73 2.4-4.6 7578=29, 3.0/10117=15...(9) H GLY 17 - QB ALA 15 poor 8 85 30 33 3.4-5.8 6127/3.7=27, 7578/4.7=5, 6131=3 H ALA 110 - QB ALA 108 far 5 100 5 - 2.8-6.1 H GLY 111 - QB ALA 108 far 5 100 5 - 3.4-7.6 H ALA 28 - QB ALA 29 far 0 66 0 - 4.5-6.0 H ALA 21 - QB ALA 29 far 0 98 0 - 6.4-17.8 H ALA 21 - QB ALA 15 far 0 99 0 - 6.5-11.4 H ALA 21 - QB ALA 28 far 0 98 0 - 6.8-15.6 H SER 99 - QB ALA 108 far 0 98 0 - 7.1-14.6 H LEU 69 - QB ALA 29 far 0 99 0 - 7.1-19.4 H TYR 72 - QB ALA 29 far 0 78 0 - 7.7-17.3 H GLY 17 - QB ALA 29 far 0 82 0 - 8.3-21.8 H GLY 17 - QB ALA 28 far 0 83 0 - 9.0-20.1 H LEU 49 - QB ALA 29 far 0 99 0 - 9.7-24.6 H GLU 40 - QB ALA 29 far 0 80 0 - 10.0-19.4 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 48 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 THR 25 - QB ALA 29 far 5 98 5 - 3.0-10.9 HA ARG 23 - QB ALA 28 far 0 99 0 - 3.6-12.8 HA ALA 109 - QB ALA 108 far 0 99 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 99 0 - 3.7-5.0 HA ALA 16 - QB ALA 15 far 0 98 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 85 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 99 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 98 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 100 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 79 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 82 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 87 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 90 0 - 4.5-7.6 HA THR 25 - QB ALA 28 far 0 98 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 88 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 96 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 100 0 - 5.1-10.2 HA LYS 26 - QB ALA 29 far 0 90 0 - 5.2-10.0 HA LYS 31 - QB ALA 28 far 0 98 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 88 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 98 0 - 5.8-7.6 HB THR 115 - QB ALA 108 far 0 97 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 99 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 98 0 - 6.7-18.6 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 99 0 - 7.0-26.2 HA ALA 21 - QB ALA 15 far 0 99 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 86 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 98 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 97 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 97 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 100 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 99 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 88 0 - 8.0-17.1 HA GLN 61 - QB ALA 28 far 0 99 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 97 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 92 0 - 8.2-21.5 HA GLN 61 - QB ALA 15 far 0 100 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 100 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 97 0 - 8.6-21.3 HA THR 18 - QB ALA 29 far 0 97 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 99 0 - 9.0-35.4 HA GLN 61 - QB ALA 109 far 0 84 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 97 0 - 9.6-14.8 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 19 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 110 OK 91 100 100 91 2.6-3.7 3.7=57, 7577/2.1=50...(10) H ALA 28 + QB ALA 28 OK 71 71 100 100 2.0-2.9 2.9=100 H ALA 110 + QB ALA 109 OK 68 85 100 81 2.0-3.7 3.7=57, 7570/2.1=28...(10) H GLY 111 + QB ALA 109 OK 50 85 80 73 2.4-4.6 7578=29, 3.0/10117=15...(9) H GLY 17 - QB ALA 15 poor 8 88 25 34 3.4-5.8 6127/3.7=28, 7578/4.7=5, 6131=4 H ALA 110 - QB ALA 108 far 5 100 5 - 2.8-6.1 H GLY 111 - QB ALA 108 far 5 100 5 - 3.4-7.6 H ALA 28 - QB ALA 29 far 0 71 0 - 4.5-6.0 H ALA 21 - QB ALA 29 far 0 98 0 - 6.4-17.8 H ALA 21 - QB ALA 15 far 0 100 0 - 6.5-11.4 H ALA 21 - QB ALA 28 far 0 99 0 - 6.8-15.6 H SER 99 - QB ALA 108 far 0 96 0 - 7.1-14.6 H LEU 69 - QB ALA 29 far 0 99 0 - 7.1-19.4 H TYR 72 - QB ALA 29 far 0 82 0 - 7.7-17.3 H GLY 17 - QB ALA 29 far 0 86 0 - 8.3-21.8 H GLY 17 - QB ALA 28 far 0 87 0 - 9.0-20.1 H LEU 49 - QB ALA 29 far 0 99 0 - 9.7-24.6 H GLU 40 - QB ALA 29 far 0 76 0 - 10.0-19.4 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 7 assignments used, quality = 1.00: * H GLY 111 + HA2 GLY 111 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 111 + HA3 GLY 111 OK 81 81 100 100 2.3-2.9 3.0=100 H ALA 110 - HA2 GLY 111 far 5 100 5 - 4.5-5.6 H ALA 110 - HA3 GLY 111 far 0 80 0 - 4.9-5.9 H GLY 17 - HA3 GLY 14 far 0 69 0 - 5.0-9.1 H GLY 17 - HA2 GLY 14 far 0 66 0 - 5.3-8.9 H ALA 21 - HA2 GLY 14 far 0 80 0 - 10.0-15.6 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 6 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 2.8-3.6 3.6=100 HD22 ASN 116 - HA2 GLY 111 far 4 87 5 - 3.6-12.9 HD22 ASN 116 - HA3 GLY 111 far 3 64 5 - 3.6-13.6 H ASP 64 - HA2 GLY 111 far 0 73 0 - 9.2-16.5 H ASP 64 - HA3 GLY 111 far 0 52 0 - 9.3-15.7 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (8.30, 3.94, 45.11 ppm; 4.20 A): 5 out of 8 assignments used, quality = 1.00: * H GLY 111 + HA3 GLY 111 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 111 + HA2 GLY 111 OK 81 81 100 100 2.3-2.9 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 110 + HA2 GLY 111 OK 23 80 30 96 4.5-5.6 7573/4.8=30, 11477=24...(22) H ALA 21 - HA2 GLY 17 poor 17 69 25 - 4.5-7.2 H ALA 110 - HA3 GLY 111 far 10 100 10 - 4.9-5.9 H ALA 21 - HA3 GLY 17 far 3 69 5 - 4.7-8.5 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 6 assignments used, quality = 1.00: * H VAL 112 + HA3 GLY 111 OK 100 100 100 100 2.8-3.6 3.6=100 H VAL 112 + HA2 GLY 111 OK 81 81 100 100 2.2-3.5 3.6=100 HD22 ASN 116 - HA3 GLY 111 far 4 87 5 - 3.6-13.6 HD22 ASN 116 - HA2 GLY 111 far 3 64 5 - 3.6-12.9 H ASP 64 - HA2 GLY 111 far 0 52 0 - 9.2-16.5 H ASP 64 - HA3 GLY 111 far 0 73 0 - 9.3-15.7 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 - 5.5-12.0 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 5 assignments used, quality = 1.00: * HB VAL 112 + HA VAL 112 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 PRO 56 - HA VAL 112 far 0 87 0 - 4.8-10.7 HB VAL 57 - HA VAL 112 far 0 63 0 - 8.0-12.3 HB3 GLN 61 - HA VAL 112 far 0 89 0 - 9.1-13.9 HB2 GLN 61 - HA VAL 112 far 0 83 0 - 9.8-14.2 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 6 assignments used, quality = 1.00: * QG2 VAL 112 + HA VAL 112 OK 100 100 100 100 2.3-2.9 3.2=100 QD1 LEU 119 - HA VAL 112 far 0 87 0 - 4.5-7.6 QD1 LEU 62 - HA VAL 112 far 0 97 0 - 5.7-9.7 QG1 VAL 57 - HA VAL 112 far 0 71 0 - 7.5-11.5 QG1 VAL 118 - HA VAL 112 far 0 73 0 - 8.6-12.2 QG2 VAL 63 - HA VAL 112 far 0 95 0 - 9.2-11.9 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 1.9-2.5 3562=100, 2.1/3557=67...(21) QD1 LEU 119 - HA VAL 112 far 0 68 0 - 4.5-7.6 QG1 VAL 57 - HA VAL 112 far 0 85 0 - 7.5-11.5 QD2 LEU 53 - HA VAL 112 far 0 100 0 - 8.9-12.9 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 2.6-3.6 7587=100, 3556/2.1=72...(14) HD22 ASN 116 - HB VAL 112 far 0 87 0 - 4.4-9.3 Violated in 5 structures by 0.03 A. Peak 3552 from cnoeabs.peaks (4.42, 2.12, 32.23 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 112 + HB VAL 112 OK 100 100 100 100 2.8-3.0 3.0=100 HA THR 115 - HB VAL 112 far 0 81 0 - 5.1-6.3 Violated in 0 structures by 0.00 A. Peak 3553 from cnoeabs.peaks (2.12, 2.12, 32.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 112 + HB VAL 112 OK 100 100 - 100 Peak 3554 from cnoeabs.peaks (0.92, 2.12, 32.23 ppm; 2.88 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 112 + HB VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - HB VAL 112 far 0 87 0 - 4.7-6.2 QD1 LEU 62 - HB VAL 112 far 0 97 0 - 6.1-8.9 QG1 VAL 118 - HB VAL 112 far 0 73 0 - 8.0-10.3 QG1 VAL 57 - HB VAL 112 far 0 71 0 - 8.5-12.6 QG2 VAL 63 - HB VAL 112 far 0 95 0 - 8.8-11.4 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 - 4.7-6.2 QG1 VAL 57 - HB VAL 112 far 0 85 0 - 8.5-12.6 QD2 LEU 53 - HB VAL 112 far 0 100 0 - 8.8-13.0 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 1.9-2.9 7588=92, 7587/2.1=53...(17) HD22 ASN 116 - QG2 VAL 112 far 4 87 5 - 3.7-8.7 Violated in 1 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 2.3-2.9 3549=90, 3562/2.1=64...(19) HA THR 115 - QG2 VAL 112 far 0 81 0 - 5.8-7.2 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 - 5.9-10.6 HB VAL 57 - QG2 VAL 112 far 0 63 0 - 8.0-12.0 HB3 GLN 61 - QG2 VAL 112 far 0 89 0 - 8.3-14.1 HB2 GLN 61 - QG2 VAL 112 far 0 83 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 3559 from cnoeabs.peaks (0.92, 0.92, 20.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 112 + QG2 VAL 112 OK 100 100 - 100 Peak 3560 from cnoeabs.peaks (0.97, 0.92, 20.16 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 112 far 0 68 0 - 4.8-6.9 QG1 VAL 57 - QG2 VAL 112 far 0 85 0 - 7.6-11.2 QD2 LEU 53 - QG2 VAL 112 far 0 100 0 - 8.8-11.9 QG1 VAL 105 - QG2 VAL 112 far 0 99 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (7.93, 0.97, 20.69 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 112 + QG1 VAL 112 OK 100 100 100 100 3.7-4.0 7589=100, 3556/2.1=93...(14) HD22 ASN 116 - QG1 VAL 112 far 0 87 0 - 5.6-9.3 HD22 ASN 116 - QG1 VAL 105 far 0 53 0 - 7.8-11.8 H ASP 64 - QG1 VAL 105 far 0 43 0 - 9.4-10.9 Violated in 1 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (4.42, 0.97, 20.69 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 100 100 1.9-2.5 3550=100, 3557/2.1=69...(22) HA THR 115 - QG1 VAL 112 far 8 81 10 - 3.9-6.0 HA MET 11 - QG1 VAL 105 far 3 69 5 - 3.7-43.4 HA SER 9 - QG1 VAL 105 far 0 36 0 - 8.1-47.9 HA THR 54 - QG1 VAL 112 far 0 100 0 - 9.8-14.2 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 - 5.4-9.7 HB2 GLU 97 - QG1 VAL 105 far 0 50 0 - 7.9-12.1 HB VAL 57 - QG1 VAL 112 far 0 63 0 - 8.4-11.8 HB3 GLN 61 - QG1 VAL 112 far 0 89 0 - 9.3-12.9 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 12 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 119 - QG1 VAL 112 far 0 87 0 - 4.9-6.2 QG2 VAL 63 - QG1 VAL 105 far 0 61 0 - 5.3-6.6 QD1 LEU 62 - QG1 VAL 112 far 0 97 0 - 6.3-8.8 QG1 VAL 118 - QG1 VAL 105 far 0 43 0 - 6.4-8.3 QD1 LEU 22 - QG1 VAL 105 far 0 34 0 - 7.5-32.1 QG1 VAL 57 - QG1 VAL 112 far 0 71 0 - 7.9-10.9 QG1 VAL 118 - QG1 VAL 112 far 0 73 0 - 8.3-10.2 QD1 LEU 62 - QG1 VAL 105 far 0 64 0 - 8.6-10.6 QG2 VAL 63 - QG1 VAL 112 far 0 95 0 - 9.0-11.0 QG2 VAL 112 - QG1 VAL 105 far 0 69 0 - 9.1-12.8 QD1 LEU 119 - QG1 VAL 105 far 0 53 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (0.97, 0.97, 20.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 112 + QG1 VAL 112 OK 100 100 - 100 QG1 VAL 105 + QG1 VAL 105 OK 66 66 - 100 Peak 3566 from cnoeabs.peaks (4.42, 3.70, 50.95 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.1-2.4 3567=100, 3569/1.8=79...(31) HA THR 115 - HD2 PRO 113 far 0 81 0 - 6.0-8.0 HA THR 54 - HD2 PRO 113 far 0 100 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (3.70, 4.42, 59.99 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA VAL 112 OK 100 100 100 100 2.1-2.4 3566=97, 1.8/3569=70...(30) 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 7 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 - 4.6-7.0 HA THR 115 - HD3 PRO 113 far 0 81 0 - 7.4-8.9 HA VAL 112 - HD3 PRO 117 far 0 74 0 - 7.9-12.6 HA THR 54 - HD3 PRO 113 far 0 100 0 - 8.5-15.1 HA HIS 5 - HD3 PRO 117 far 0 68 0 - 8.8-72.3 HA ASN 120 - HD3 PRO 117 far 0 74 0 - 9.0-9.8 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 9 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...(30) HA2 GLY 111 - HA VAL 112 far 0 99 0 - 4.4-5.2 HA3 GLY 111 - HA VAL 112 far 0 99 0 - 4.4-5.0 HD3 PRO 117 - HA VAL 112 far 0 92 0 - 7.9-12.6 HB2 SER 107 - HA VAL 112 far 0 92 0 - 8.0-14.1 HB2 SER 106 - HA VAL 112 far 0 60 0 - 8.8-15.3 HB3 SER 107 - HA VAL 112 far 0 76 0 - 9.0-14.4 HB2 SER 60 - HA VAL 112 far 0 60 0 - 9.2-15.2 HB3 SER 60 - HA VAL 112 far 0 60 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (4.37, 3.70, 50.95 ppm; 6.22 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 HA THR 115 + HD2 PRO 113 OK 39 60 65 100 6.0-8.0 3.2/11558=78, ~10189=69...(13) HA SER 107 - HD2 PRO 113 far 0 90 0 - 8.6-14.2 HA PRO 117 - HD2 PRO 113 far 0 100 0 - 9.8-12.9 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 - 8.4-13.4 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 6 assignments used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 58 - HD2 PRO 113 far 0 97 0 - 9.1-14.2 HB VAL 57 - HD2 PRO 113 far 0 60 0 - 9.1-12.9 HB VAL 118 - HD2 PRO 113 far 0 100 0 - 9.5-13.3 HG3 PRO 117 - HD2 PRO 113 far 0 97 0 - 9.6-14.7 HG2 PRO 117 - HD2 PRO 113 far 0 99 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (3.70, 3.70, 50.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 Peak 3576 from cnoeabs.peaks (3.94, 3.70, 50.95 ppm; 2.88 A): 1 out of 5 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 - 6.4-7.2 HA3 GLY 111 - HD2 PRO 113 far 0 99 0 - 6.5-7.0 HD3 PRO 117 - HD2 PRO 113 far 0 92 0 - 7.7-12.7 HB2 SER 107 - HD2 PRO 113 far 0 92 0 - 9.1-16.0 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 5.4-5.6 7596=100, 7591/3.6=100...(14) Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (4.37, 3.94, 50.95 ppm; 5.68 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 117 + HD3 PRO 117 OK 73 73 100 100 4.1-4.1 3.6=100 HA THR 115 - HD3 PRO 117 poor 19 37 50 - 4.6-7.0 HA SER 107 - HD3 PRO 117 far 9 61 15 - 5.5-13.4 HA PRO 113 - HD3 PRO 117 far 0 74 0 - 7.3-11.7 HA THR 115 - HD3 PRO 113 far 0 60 0 - 7.4-8.9 HA SER 107 - HD3 PRO 113 far 0 90 0 - 9.5-14.1 HA PRO 117 - HD3 PRO 113 far 0 100 0 - 9.8-13.8 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 4 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 HB2 PRO 113 - HD3 PRO 117 far 0 74 0 - 9.4-13.6 HG2 PRO 113 - HD3 PRO 117 far 0 51 0 - 9.9-14.4 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 2 assignments used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 113 - HD3 PRO 117 far 0 74 0 - 9.5-12.9 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 5 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 - 7.5-12.5 HB2 PRO 113 - HD3 PRO 117 far 0 51 0 - 9.4-13.6 HG2 PRO 113 - HD3 PRO 117 far 0 74 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 3582 from cnoeabs.peaks (2.06, 3.94, 50.95 ppm; 3.87 A): 4 out of 11 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 OK 47 73 65 98 4.4-5.5 11542/3.6=40...(18) HB2 GLU 102 - HD3 PRO 117 far 0 53 0 - 6.0-10.6 HG3 PRO 58 - HD3 PRO 113 far 0 97 0 - 7.7-13.1 HB VAL 57 - HD3 PRO 113 far 0 60 0 - 7.9-12.0 HB3 GLU 55 - HD3 PRO 113 far 0 85 0 - 8.4-14.7 HG3 PRO 113 - HD3 PRO 117 far 0 74 0 - 8.4-13.1 HB VAL 118 - HD3 PRO 113 far 0 100 0 - 8.5-13.7 HB2 LEU 62 - HD3 PRO 113 far 0 100 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (3.70, 3.94, 50.95 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 113 - HD3 PRO 117 far 0 74 0 - 7.7-12.7 Violated in 0 structures by 0.00 A. Peak 3584 from cnoeabs.peaks (3.94, 3.94, 50.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 113 + HD3 PRO 113 OK 100 100 - 100 HD3 PRO 117 + HD3 PRO 117 OK 63 63 - 100 Peak 3586 from cnoeabs.peaks (4.37, 4.37, 63.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 113 + HA PRO 113 OK 100 100 - 100 Peak 3587 from cnoeabs.peaks (1.91, 4.37, 63.85 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 113 + HA PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 113 + HA PRO 113 OK 74 78 100 94 4.0-4.0 3.8=85, 11545/4.9=29...(6) HG LEU 53 - HA PRO 113 far 0 68 0 - 8.6-13.3 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 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (1.93, 4.37, 63.85 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.99: * HG2 PRO 113 + HA PRO 113 OK 96 100 100 96 4.0-4.0 3.8=88, 11545/4.9=32...(6) HB2 PRO 113 + HA PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 HB2 PRO 58 - HA PRO 113 far 0 89 0 - 7.4-13.4 HG LEU 53 - HA PRO 113 far 0 100 0 - 8.6-13.3 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 8 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 - 5.5-11.7 HB VAL 118 - HA PRO 113 far 0 100 0 - 6.4-11.8 HG3 PRO 58 - HA PRO 113 far 0 97 0 - 7.6-14.2 HB3 GLU 55 - HA PRO 113 far 0 85 0 - 7.6-12.1 HB2 LEU 62 - HA PRO 113 far 0 100 0 - 8.0-12.1 HG3 PRO 117 - HA PRO 113 far 0 97 0 - 8.8-13.8 HG2 PRO 117 - HA PRO 113 far 0 99 0 - 9.0-13.5 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 6 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 - 6.3-7.7 HA3 GLY 111 - HA PRO 113 far 0 99 0 - 6.3-7.5 HD3 PRO 117 - HA PRO 113 far 0 92 0 - 7.3-11.7 HB2 SER 107 - HA PRO 113 far 0 92 0 - 7.6-16.4 HB3 SER 107 - HA PRO 113 far 0 76 0 - 9.3-16.2 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, 7593/2.3=43...(15) Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (4.37, 1.91, 31.81 ppm; 3.68 A): 1 out of 3 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 - 7.0-8.7 HA PRO 117 - HB2 PRO 113 far 0 100 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 3595 from cnoeabs.peaks (1.91, 1.91, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 Peak 3596 from cnoeabs.peaks (2.27, 1.91, 31.81 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HB2 PRO 113 far 0 99 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (1.93, 1.91, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HB2 PRO 113 + HB2 PRO 113 OK 78 78 - 100 Reference assignment not found: HG2 PRO 113 - HB2 PRO 113 Peak 3598 from cnoeabs.peaks (2.06, 1.91, 31.81 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * HG3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 57 - HB2 PRO 113 far 0 60 0 - 6.9-12.3 HB3 GLU 55 - HB2 PRO 113 far 0 85 0 - 7.6-12.0 HB2 LEU 62 - HB2 PRO 113 far 0 100 0 - 7.7-13.6 HB VAL 118 - HB2 PRO 113 far 0 100 0 - 7.8-13.7 HG3 PRO 58 - HB2 PRO 113 far 0 97 0 - 8.3-14.7 Violated in 20 structures by 0.06 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 6 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HA3 GLY 111 - HB2 PRO 113 far 0 99 0 - 7.3-8.4 HA2 GLY 111 - HB2 PRO 113 far 0 99 0 - 7.4-8.9 HD3 PRO 117 - HB2 PRO 113 far 0 92 0 - 9.4-13.6 HB2 SER 60 - HB2 PRO 113 far 0 60 0 - 9.5-18.0 HB2 SER 107 - HB2 PRO 113 far 0 92 0 - 9.8-18.0 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 3.2-4.2 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 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 THR 115 - HB3 PRO 113 far 0 60 0 - 5.4-7.6 HA SER 107 - HB VAL 105 far 0 71 0 - 6.9-7.9 HA GLN 134 - HB VAL 132 far 0 56 0 - 7.2-7.8 HA CYS 73 - HB VAL 132 far 0 65 0 - 7.5-8.8 HA PRO 117 - HB3 PRO 113 far 0 100 0 - 7.9-12.5 HA CYS 125 - HB VAL 132 far 0 59 0 - 8.9-10.5 HA SER 107 - HB3 PRO 113 far 0 90 0 - 9.9-15.9 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 - 4.8-6.9 HB2 MET 11 - HB VAL 105 far 0 76 0 - 6.7-54.9 HB2 ARG 90 - HB VAL 132 far 0 73 0 - 8.2-10.1 HB3 ARG 84 - HB VAL 132 far 0 72 0 - 9.0-11.2 HG LEU 53 - HB3 PRO 113 far 0 68 0 - 9.8-15.5 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 10 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 HB2 MET 11 - HB VAL 105 far 0 81 0 - 6.7-54.9 HB3 LYS 86 - HB VAL 132 far 0 49 0 - 7.8-8.9 HB2 ARG 90 - HB VAL 132 far 0 56 0 - 8.2-10.1 HB3 ARG 90 - HB VAL 132 far 0 56 0 - 8.4-9.8 HB2 PRO 58 - HB3 PRO 113 far 0 89 0 - 8.7-15.6 HB3 ARG 84 - HB VAL 132 far 0 39 0 - 9.0-11.2 HB3 PRO 81 - HB VAL 132 far 0 65 0 - 9.1-13.1 HG LEU 53 - HB3 PRO 113 far 0 100 0 - 9.8-15.5 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 16 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 - 4.4-6.4 HB2 GLU 128 - HB VAL 132 far 0 54 0 - 5.7-8.2 HG3 GLN 134 - HB VAL 132 far 0 52 0 - 6.4-8.9 HB2 GLU 102 - HB VAL 105 far 0 62 0 - 6.6-7.5 HG3 PRO 81 - HB VAL 132 far 0 69 0 - 7.3-11.0 HB VAL 57 - HB3 PRO 113 far 0 60 0 - 7.4-13.9 HB3 GLU 55 - HB3 PRO 113 far 0 85 0 - 8.1-13.2 HB3 GLU 91 - HB VAL 132 far 0 39 0 - 8.1-10.1 HB VAL 118 - HB VAL 105 far 0 84 0 - 8.6-12.4 QE MET 11 - HB VAL 105 far 0 64 0 - 8.8-48.8 HB VAL 118 - HB3 PRO 113 far 0 100 0 - 8.9-13.4 HB3 LYS 39 - HB VAL 132 far 0 57 0 - 9.0-11.3 HB2 LEU 62 - HB3 PRO 113 far 0 100 0 - 9.1-14.8 HG3 PRO 58 - HB3 PRO 113 far 0 97 0 - 9.5-16.3 HB2 GLN 127 - HB VAL 132 far 0 73 0 - 9.8-11.3 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 9 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 poor 9 45 20 - 4.3-6.1 HB3 SER 107 - HB VAL 105 far 0 58 0 - 6.0-8.3 HB2 SER 107 - HB VAL 105 far 0 73 0 - 6.6-8.6 HA2 GLY 111 - HB3 PRO 113 far 0 99 0 - 8.6-9.7 HA3 GLY 111 - HB3 PRO 113 far 0 99 0 - 8.6-9.5 HA LEU 100 - HB VAL 105 far 0 56 0 - 8.8-10.3 HD3 PRO 117 - HB3 PRO 113 far 0 92 0 - 9.5-12.9 HB2 SER 107 - HB3 PRO 113 far 0 92 0 - 9.6-18.7 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 2.0-3.8 3.9=100 H ARG 90 - HB VAL 132 far 0 73 0 - 5.8-6.8 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 - 6.4-9.2 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 6 assignments used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 57 - HG2 PRO 113 far 0 60 0 - 8.0-13.4 HB3 GLU 55 - HG2 PRO 113 far 0 85 0 - 8.4-13.9 HG3 PRO 58 - HG2 PRO 113 far 0 97 0 - 8.7-15.2 HB2 LEU 62 - HG2 PRO 113 far 0 100 0 - 9.5-15.1 HB VAL 118 - HG2 PRO 113 far 0 100 0 - 9.8-14.9 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 5 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 - 7.8-8.7 HA2 GLY 111 - HG2 PRO 113 far 0 99 0 - 8.0-9.3 HD3 PRO 117 - HG2 PRO 113 far 0 92 0 - 9.9-14.4 HB2 SER 60 - HG2 PRO 113 far 0 60 0 - 9.9-18.8 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 4.6-5.8 7593/2.3=100...(13) Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (4.37, 2.06, 27.46 ppm; 5.65 A): 6 out of 18 assignments used, quality = 1.00: * HA PRO 113 + HG3 PRO 113 OK 100 100 100 100 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 CYS 125 + HB2 GLN 127 OK 51 54 100 95 5.0-6.5 4.9/3966=72, 7839/4.7=65...(5) HA THR 115 + HG3 PRO 113 OK 33 60 55 99 4.7-7.9 3.0/10189=84, ~11558=47...(11) HA GLN 134 + HG3 PRO 81 OK 27 67 70 57 4.2-10.9 11761/10574=42...(3) HA THR 115 - HG3 PRO 117 poor 9 44 20 - 5.2-8.7 HA THR 115 - HG2 PRO 117 far 7 49 15 - 6.3-8.9 HA ASP 47 - HB2 GLN 127 far 5 33 15 - 6.2-8.8 HA SER 107 - HG2 PRO 117 far 0 77 0 - 7.3-14.7 HA PRO 113 - HG3 PRO 58 far 0 60 0 - 7.6-14.2 HA SER 107 - HG3 PRO 117 far 0 71 0 - 7.9-16.0 HA PRO 113 - HG3 PRO 117 far 0 84 0 - 8.8-13.8 HA PRO 113 - HG2 PRO 117 far 0 90 0 - 9.0-13.5 HA SER 107 - HG3 PRO 58 far 0 49 0 - 9.2-13.8 HA PRO 117 - HG3 PRO 113 far 0 100 0 - 9.6-12.9 HA SER 107 - HG3 PRO 113 far 0 90 0 - 9.6-15.5 HA ASP 78 - HG3 PRO 81 far 0 79 0 - 9.8-10.9 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 9 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 - 4.4-8.3 HB3 LEU 123 - HB2 GLN 127 far 0 35 0 - 5.8-7.9 HB3 LEU 49 - HB2 GLN 127 far 0 66 0 - 6.9-11.8 HG LEU 53 - HB2 GLN 127 far 0 39 0 - 7.1-10.8 HB3 ARG 84 - HG3 PRO 81 far 0 85 0 - 7.8-11.3 HB2 PRO 113 - HG3 PRO 58 far 0 60 0 - 8.3-14.7 HG2 PRO 113 - HG3 PRO 58 far 0 40 0 - 8.7-15.2 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 6 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 3 58 5 - 3.8-6.5 HB VAL 132 - HG3 PRO 81 far 0 85 0 - 7.3-11.0 HB3 PRO 113 - HG3 PRO 58 far 0 60 0 - 9.5-16.3 HB VAL 132 - HB2 GLN 127 far 0 66 0 - 9.8-11.3 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 11 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 LEU 49 - HB2 GLN 127 far 0 55 0 - 6.9-11.8 HG LEU 53 - HB2 GLN 127 far 0 67 0 - 7.1-10.8 HB3 LYS 86 - HG3 PRO 81 far 0 59 0 - 7.6-10.4 HB3 ARG 84 - HG3 PRO 81 far 0 48 0 - 7.8-11.3 HB2 PRO 113 - HG3 PRO 58 far 0 40 0 - 8.3-14.7 HG2 PRO 113 - HG3 PRO 58 far 0 60 0 - 8.7-15.2 HB2 PRO 58 - HG3 PRO 113 far 0 89 0 - 9.2-15.3 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 4 assignments used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 113 - HG3 PRO 58 far 0 60 0 - 9.1-14.2 HD2 PRO 113 - HG3 PRO 117 far 0 84 0 - 9.6-14.7 HD2 PRO 113 - HG2 PRO 117 far 0 90 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3624 from cnoeabs.peaks (3.94, 2.06, 27.46 ppm; 3.93 A): 3 out of 25 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 HB3 SER 60 - HG3 PRO 58 poor 10 29 35 - 4.4-6.0 HB2 SER 60 - HG3 PRO 58 far 4 29 15 - 4.0-6.6 HA2 GLY 111 - HG3 PRO 58 far 3 58 5 - 4.7-16.5 HA3 GLY 111 - HG3 PRO 58 far 3 57 5 - 4.2-15.3 HA3 GLY 111 - HG2 PRO 117 far 0 87 0 - 5.7-16.8 HB2 SER 106 - HG2 PRO 117 far 0 49 0 - 5.8-11.0 HA3 GLY 111 - HG3 PRO 117 far 0 81 0 - 6.2-17.3 HA2 GLY 111 - HG2 PRO 117 far 0 88 0 - 6.6-17.0 HA2 GLY 111 - HG3 PRO 117 far 0 82 0 - 6.6-17.8 HB2 SER 106 - HG3 PRO 117 far 0 44 0 - 7.0-12.4 HB2 SER 107 - HG2 PRO 117 far 0 78 0 - 7.1-16.7 HB3 SER 107 - HG2 PRO 117 far 0 63 0 - 7.6-16.0 HD3 PRO 113 - HG3 PRO 58 far 0 60 0 - 7.7-13.1 HB2 SER 107 - HG3 PRO 117 far 0 72 0 - 8.1-18.0 HB3 SER 107 - HG3 PRO 58 far 0 38 0 - 8.2-14.4 HA2 GLY 111 - HG3 PRO 113 far 0 99 0 - 8.2-9.1 HA3 GLY 111 - HG3 PRO 113 far 0 99 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 92 0 - 8.4-13.1 HB2 SER 107 - HG3 PRO 58 far 0 50 0 - 8.7-16.1 HB3 SER 107 - HG3 PRO 117 far 0 57 0 - 8.8-17.4 HA LEU 100 - HG2 PRO 117 far 0 60 0 - 9.1-10.6 HB2 SER 107 - HG3 PRO 113 far 0 92 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (8.57, 2.06, 27.46 ppm; 5.03 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 114 + HG3 PRO 113 OK 100 100 100 100 3.9-5.0 7595=100, 7593/2.3=97...(12) H GLY 114 - HG3 PRO 117 far 0 84 0 - 7.6-12.7 H GLY 114 - HG2 PRO 117 far 0 90 0 - 8.1-12.5 H GLY 114 - HG3 PRO 58 far 0 60 0 - 8.9-16.6 Violated in 6 structures by 0.00 A. Peak 3626 from cnoeabs.peaks (8.57, 3.88, 45.18 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HA2 GLY 114 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (3.88, 3.88, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 114 + HA2 GLY 114 OK 100 100 - 100 Peak 3628 from cnoeabs.peaks (4.12, 3.88, 45.18 ppm; 2.51 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 114 + HA2 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 52 - HA2 GLY 114 far 0 99 0 - 8.0-16.8 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 2.2-3.4 3.6=100 HD22 ASN 116 - HA2 GLY 114 far 0 96 0 - 5.5-9.1 Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (8.57, 4.12, 45.18 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HA3 GLY 114 OK 100 100 100 100 2.3-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 3631 from cnoeabs.peaks (3.88, 4.12, 45.18 ppm; 2.57 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 114 + HA3 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HA3 GLY 114 far 0 76 0 - 5.2-9.4 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (4.12, 4.12, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + HA3 GLY 114 OK 100 100 - 100 Peak 3633 from cnoeabs.peaks (7.90, 4.12, 45.18 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H THR 115 + HA3 GLY 114 OK 100 100 100 100 3.1-3.6 3.6=100 HD22 ASN 116 - HA3 GLY 114 far 0 96 0 - 5.0-10.6 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (7.90, 4.40, 61.68 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * H THR 115 + HA THR 115 OK 100 100 100 100 2.7-2.9 3.0=100 HD22 ASN 116 - HA THR 115 far 0 96 0 - 6.6-9.0 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 = 0.99: * HB THR 115 + HA THR 115 OK 99 100 100 99 2.4-2.6 3.0=79, 2.1/3645=57...(13) HA ALA 109 - HA THR 115 far 0 100 0 - 7.5-15.3 Violated in 0 structures by 0.00 A. Peak 3637 from cnoeabs.peaks (1.13, 4.40, 61.68 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HA THR 115 OK 100 100 100 100 3.2-3.2 3645=100, 2.1/3636=66...(15) Violated in 20 structures by 0.21 A. Peak 3638 from cnoeabs.peaks (8.45, 4.40, 61.68 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HA THR 115 OK 100 100 100 100 3.4-3.6 7611=93, 7608/3.0=59...(15) Violated in 20 structures by 0.17 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 2.2-3.4 7606=100, 7607/2.1=88...(13) HD22 ASN 116 - HB THR 115 far 0 96 0 - 6.8-9.6 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 2.4-2.6 3.0=100 HA VAL 112 - HB THR 115 far 0 81 0 - 4.9-6.8 HA PRO 113 - HB THR 115 far 0 60 0 - 5.4-6.3 HA SER 107 - HB THR 115 far 0 95 0 - 7.4-16.6 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 3.7-4.1 7612=100, 3638/3636=76...(11) Violated in 1 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 1.9-3.0 7607=100, 3.0/3645=63...(14) HD22 ASN 116 - QG2 THR 115 far 14 96 15 - 3.7-6.3 H SER 106 - QG2 THR 115 far 0 99 0 - 7.9-13.4 H GLN 104 - QG2 THR 115 far 0 99 0 - 8.3-12.7 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (4.40, 1.13, 21.32 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 100 100 3.2-3.2 3.2=100 HA VAL 112 + QG2 THR 115 OK 24 81 30 98 3.9-4.7 3.2/11499=50...(18) HA PRO 113 - QG2 THR 115 far 6 60 10 - 3.8-5.4 HA SER 107 - QG2 THR 115 far 5 95 5 - 4.1-12.4 HA ASN 120 - QG2 THR 115 far 0 73 0 - 8.8-10.5 HA THR 54 - QG2 THR 115 far 0 76 0 - 9.3-12.8 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 5 100 5 - 3.5-10.3 HA ALA 108 - QG2 THR 115 far 0 100 0 - 6.2-10.0 HA ALA 110 - QG2 THR 115 far 0 97 0 - 6.4-9.1 Violated in 0 structures by 0.00 A. Peak 3647 from cnoeabs.peaks (1.13, 1.13, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + QG2 THR 115 OK 100 100 - 100 Peak 3648 from cnoeabs.peaks (8.45, 1.13, 21.32 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + QG2 THR 115 OK 100 100 100 100 1.9-2.5 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 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3650 from cnoeabs.peaks (4.97, 4.97, 51.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HA ASN 116 OK 100 100 - 100 Peak 3651 from cnoeabs.peaks (2.85, 4.97, 51.55 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HA ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 59 - HA ASN 116 far 0 73 0 - 7.3-11.0 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 2.4-3.0 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): 3 out of 5 assignments used, quality = 1.00: * HD22 ASN 116 + HA ASN 116 OK 100 100 100 100 2.7-4.7 4.6=100 H THR 115 + HA ASN 116 OK 96 96 100 100 4.3-5.5 3.0/10177=96...(12) H VAL 112 + HA ASN 116 OK 27 87 40 78 5.5-10.0 11501/10179=63...(5) H SER 106 - HA ASN 116 far 0 87 0 - 8.1-13.4 H GLN 104 - HA ASN 116 far 0 83 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 3655 from cnoeabs.peaks (8.45, 2.85, 38.95 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.99: * H ASN 116 + HB2 ASN 116 OK 99 100 100 99 2.1-3.4 4.0=99 Violated in 0 structures by 0.00 A. Peak 3656 from cnoeabs.peaks (4.97, 2.85, 38.95 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB2 ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (2.85, 2.85, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 116 + HB2 ASN 116 OK 100 100 - 100 Peak 3658 from cnoeabs.peaks (2.93, 2.85, 38.95 ppm; 2.96 A): 1 out of 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 2.4-4.1 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 2.1-3.9 3.5=100 H THR 115 + HB2 ASN 116 OK 95 96 100 100 3.6-5.1 7608/7615=77, 10173=70...(11) H VAL 112 - HB2 ASN 116 poor 12 87 30 45 3.0-8.9 11501/10184=24...(6) H SER 106 - HB2 ASN 116 far 0 87 0 - 7.0-12.6 H GLN 104 - HB2 ASN 116 far 0 83 0 - 7.6-11.0 Violated in 0 structures by 0.00 A. Peak 3661 from cnoeabs.peaks (8.45, 2.93, 38.95 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.5-3.8 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 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3663 from cnoeabs.peaks (2.85, 2.93, 38.95 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HB3 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 59 - HB3 ASN 116 far 0 73 0 - 5.8-9.6 Violated in 0 structures by 0.00 A. Peak 3664 from cnoeabs.peaks (2.93, 2.93, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HB3 ASN 116 OK 100 100 - 100 Peak 3665 from cnoeabs.peaks (7.01, 2.93, 38.95 ppm; 6.36 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.1-3.9 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 2.1-3.7 3.5=100 H THR 115 + HB3 ASN 116 OK 91 96 95 100 4.2-6.2 7608/7616=81...(9) H VAL 112 - HB3 ASN 116 poor 6 87 30 25 3.8-9.8 4.0/10228=7, 3660/1.8=5...(6) H SER 106 - HB3 ASN 116 far 0 87 0 - 6.9-12.3 H GLN 104 - HB3 ASN 116 far 0 83 0 - 7.2-10.8 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 2.3-2.9 3.8=99 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (3.86, 4.97, 51.55 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 117 + HA ASN 116 OK 100 100 100 100 2.3-2.9 3667=100, 1.8/3670=71...(22) HA2 GLY 114 - HA ASN 116 far 0 76 0 - 6.1-7.8 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 2.0-2.4 3.8=100 HA ASN 116 - HD3 PRO 113 far 0 74 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 3670 from cnoeabs.peaks (3.95, 4.97, 51.55 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * HD3 PRO 117 + HA ASN 116 OK 100 100 100 100 2.0-2.4 3669=98, 1.8/3667=73...(23) HA3 GLY 111 - HA ASN 116 far 5 99 5 - 3.5-13.0 HA2 GLY 111 - HA ASN 116 far 4 81 5 - 4.3-13.6 HB2 SER 107 - HA ASN 116 far 0 57 0 - 5.1-15.2 HB3 SER 106 - HA ASN 116 far 0 68 0 - 5.7-11.8 HB2 SER 106 - HA ASN 116 far 0 93 0 - 6.0-12.8 HB3 SER 107 - HA ASN 116 far 0 99 0 - 6.6-14.9 HD3 PRO 113 - HA ASN 116 far 0 92 0 - 7.4-11.5 HA LEU 100 - HA ASN 116 far 0 98 0 - 9.2-11.7 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 3.6-4.1 3.6=100 HA GLN 134 - HD2 PRO 81 far 0 80 0 - 6.3-9.9 HA SER 107 - HD2 PRO 117 far 0 81 0 - 6.8-14.8 HA PRO 113 - HD2 PRO 117 far 0 100 0 - 6.8-11.7 HA ASP 78 - HD2 PRO 81 far 0 75 0 - 8.3-8.8 HA CYS 73 - HD2 PRO 81 far 0 73 0 - 8.7-11.3 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 HB VAL 77 - HD2 PRO 81 far 0 53 0 - 8.3-9.9 HG2 GLU 102 - HD2 PRO 117 far 0 100 0 - 8.4-12.8 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 2.3-3.0 2.3=100 HG3 ARG 135 - HD2 PRO 81 far 0 60 0 - 7.0-10.4 HB2 GLN 134 - HD2 PRO 81 far 0 83 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 80 0 - 9.3-11.5 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 2.3-3.0 2.3=100 HB3 LYS 39 - HD2 PRO 81 far 3 58 5 - 5.2-9.0 HB VAL 118 - HD2 PRO 117 far 0 100 0 - 6.0-6.6 HG3 ARG 135 - HD2 PRO 81 far 0 67 0 - 7.0-10.4 HB2 GLU 102 - HD2 PRO 117 far 0 63 0 - 7.8-12.1 HG3 GLN 134 - HD2 PRO 81 far 0 51 0 - 7.8-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 7.9-12.6 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 2.3-3.0 2.3=100 HB3 LYS 39 - HD2 PRO 81 far 3 51 5 - 5.2-9.0 HB VAL 118 - HD2 PRO 117 far 0 99 0 - 6.0-6.6 HG3 ARG 135 - HD2 PRO 81 far 0 73 0 - 7.0-10.4 HG3 PRO 113 - HD2 PRO 117 far 0 97 0 - 7.9-12.6 HB2 GLN 134 - HD2 PRO 81 far 0 46 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 51 0 - 9.3-11.5 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 8 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 111 - HD2 PRO 117 far 0 99 0 - 5.0-15.2 HA2 GLY 111 - HD2 PRO 117 far 0 81 0 - 5.4-15.8 HB2 SER 107 - HD2 PRO 117 far 0 57 0 - 6.9-17.0 HB2 SER 106 - HD2 PRO 117 far 0 93 0 - 7.1-13.2 HB3 SER 106 - HD2 PRO 117 far 0 68 0 - 7.4-12.3 HB3 SER 107 - HD2 PRO 117 far 0 99 0 - 8.0-16.5 HD3 PRO 113 - HD2 PRO 117 far 0 92 0 - 9.1-13.6 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 3.9-4.4 7637=100, 7638/1.8=89...(12) HD22 ASN 121 - HD2 PRO 117 far 0 71 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (4.37, 3.95, 51.04 ppm; 5.97 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 100 100 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 far 12 81 15 - 5.5-13.4 HA PRO 113 - HD3 PRO 117 far 0 100 0 - 7.3-11.7 HA SER 107 - HD3 PRO 113 far 0 53 0 - 9.5-14.1 HA PRO 117 - HD3 PRO 113 far 0 74 0 - 9.8-13.8 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 - 6.8-11.3 Violated in 0 structures by 0.00 A. Peak 3681 from cnoeabs.peaks (2.01, 3.95, 51.04 ppm; 4.91 A): 1 out of 7 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 4.0-4.0 3.0=100 HG3 PRO 56 - HD3 PRO 113 far 4 74 5 - 5.4-11.3 HB3 PRO 56 - HD3 PRO 113 lone 0 71 50 1 4.2-9.2 HG2 PRO 56 - HD3 PRO 113 far 0 74 0 - 6.0-11.5 HB2 GLU 55 - HD3 PRO 113 far 0 58 0 - 7.5-13.7 HG2 PRO 58 - HD3 PRO 113 far 0 58 0 - 8.4-13.2 HB3 LEU 53 - HD3 PRO 113 far 0 63 0 - 9.9-16.2 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 11 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 79 100 80 99 4.4-5.5 11542/3.6=46...(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 - 6.0-10.6 HG3 PRO 58 - HD3 PRO 113 far 0 58 0 - 7.7-13.1 HG2 PRO 58 - HD3 PRO 113 far 0 41 0 - 8.4-13.2 HB3 GLU 55 - HD3 PRO 113 far 0 67 0 - 8.4-14.7 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 8.4-13.1 HB VAL 118 - HD3 PRO 113 far 0 74 0 - 8.5-13.7 HB2 LEU 62 - HD3 PRO 113 far 0 74 0 - 9.2-13.3 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 10 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 79 99 80 99 4.4-5.5 11542/3.6=46...(19) HG3 PRO 113 + HD3 PRO 113 OK 69 69 100 100 3.0-3.0 2.3=100 HG3 PRO 58 - HD3 PRO 113 far 0 53 0 - 7.7-13.1 HG2 PRO 58 - HD3 PRO 113 far 0 47 0 - 8.4-13.2 HB3 GLU 55 - HD3 PRO 113 far 0 70 0 - 8.4-14.7 HG3 PRO 113 - HD3 PRO 117 far 0 97 0 - 8.4-13.1 HB VAL 118 - HD3 PRO 113 far 0 72 0 - 8.5-13.7 HB2 LEU 62 - HD3 PRO 113 far 0 72 0 - 9.2-13.3 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 4 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 117 far 0 76 0 - 6.7-9.8 HA2 GLY 114 - HD3 PRO 113 far 0 49 0 - 6.8-7.5 HD2 PRO 117 - HD3 PRO 113 far 0 74 0 - 9.1-13.6 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (3.95, 3.95, 51.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 117 + HD3 PRO 117 OK 100 100 - 100 HD3 PRO 113 + HD3 PRO 113 OK 63 63 - 100 Peak 3686 from cnoeabs.peaks (7.75, 3.95, 51.04 ppm; 5.89 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 118 + HD3 PRO 117 OK 100 100 100 100 2.8-3.7 7638=100, 7637/1.8=98...(13) HD22 ASN 121 + HD3 PRO 117 OK 62 71 95 93 5.6-7.7 3710/3.0=37, ~7958=30...(12) H GLU 55 - HD3 PRO 113 far 0 74 0 - 7.1-13.4 H VAL 118 - HD3 PRO 113 far 0 74 0 - 9.1-13.3 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 - 9.0-13.7 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 - 8.2-11.9 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 - 5.4-5.7 HB2 GLU 102 - HA PRO 117 far 0 63 0 - 8.3-11.9 HG3 PRO 113 - HA PRO 117 far 0 99 0 - 9.6-12.9 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 - 5.4-5.7 HG3 PRO 113 - HA PRO 117 far 0 97 0 - 9.6-12.9 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 4 76 5 - 5.8-9.4 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 8 assignments used, quality = 1.00: * HD3 PRO 117 + HA PRO 117 OK 100 100 100 100 4.1-4.1 3.6=100 HA3 GLY 111 - HA PRO 117 far 0 99 0 - 7.5-16.4 HB2 SER 107 - HA PRO 117 far 0 57 0 - 8.2-18.2 HB2 SER 106 - HA PRO 117 far 0 93 0 - 8.4-14.2 HA2 GLY 111 - HA PRO 117 far 0 81 0 - 8.5-16.5 HB3 SER 107 - HA PRO 117 far 0 99 0 - 9.2-17.7 HB3 SER 106 - HA PRO 117 far 0 68 0 - 9.5-13.5 HD3 PRO 113 - HA PRO 117 far 0 92 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 3694 from cnoeabs.peaks (7.75, 4.37, 64.81 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 118 + HA PRO 117 OK 100 100 100 100 3.0-3.4 3.6=100 HD22 ASN 121 + HA PRO 117 OK 49 71 75 93 4.7-6.7 1.7/7957=40, 3710/2.3=30...(13) 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 PRO 113 - HB2 PRO 117 far 0 100 0 - 7.8-13.3 HA SER 107 - HB2 PRO 117 far 0 81 0 - 9.3-16.7 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 - 6.7-7.1 HB2 GLU 102 - HB2 PRO 117 far 0 63 0 - 8.9-12.1 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 - 6.7-7.1 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 - 5.6-10.9 Violated in 0 structures by 0.00 A. Peak 3701 from cnoeabs.peaks (3.95, 2.36, 32.10 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HA3 GLY 111 - HB2 PRO 117 far 0 99 0 - 7.6-17.7 HA2 GLY 111 - HB2 PRO 117 far 0 81 0 - 8.3-18.0 HB2 SER 106 - HB2 PRO 117 far 0 93 0 - 8.8-14.0 HB2 SER 107 - HB2 PRO 117 far 0 57 0 - 9.0-18.9 HB3 SER 106 - HB2 PRO 117 far 0 68 0 - 9.4-14.0 HB3 SER 107 - HB2 PRO 117 far 0 99 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (7.75, 2.36, 32.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 118 + HB2 PRO 117 OK 100 100 100 100 4.4-4.7 4.3=100 HD22 ASN 121 + HB2 PRO 117 OK 42 71 65 92 4.2-6.2 3710/1.8=35, ~7957=32...(12) 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 - 5.6-10.3 HA PRO 113 - HB3 PRO 117 far 0 100 0 - 8.8-14.0 HA SER 107 - HB3 PRO 117 far 0 81 0 - 9.3-16.2 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 4 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 - 5.8-7.1 HG2 GLU 102 - HB3 PRO 117 far 0 100 0 - 7.6-12.3 HG2 GLU 102 - HB VAL 63 far 0 43 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (2.01, 2.01, 32.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 117 + HB3 PRO 117 OK 100 100 - 100 HB VAL 63 + HB VAL 63 OK 37 37 - 100 Peak 3706 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 4.35 A): 3 out of 9 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 OK 22 43 55 93 4.8-5.6 ~11012=57, 6806/4.0=53...(6) QE MET 11 - HB VAL 63 far 2 37 5 - 4.2-40.1 HB VAL 118 - HB3 PRO 117 far 0 100 0 - 5.7-6.4 HG2 PRO 58 - HB VAL 63 far 0 23 0 - 6.9-7.9 HB2 GLU 102 - HB3 PRO 117 far 0 63 0 - 7.5-10.5 HG3 PRO 58 - HB VAL 63 far 0 33 0 - 8.5-9.3 HB VAL 118 - HB VAL 63 far 0 43 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 4.35 A): 3 out of 9 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 OK 21 42 55 93 4.8-5.6 ~11012=57, 6806/4.0=52...(6) QE MET 11 - HB VAL 63 far 2 40 5 - 4.2-40.1 HB VAL 118 - HB3 PRO 117 far 0 99 0 - 5.7-6.4 HG2 PRO 58 - HB VAL 63 far 0 26 0 - 6.9-7.9 HG3 PRO 58 - HB VAL 63 far 0 29 0 - 8.5-9.3 HB3 MET 11 - HB VAL 63 far 0 21 0 - 8.9-45.9 HB VAL 118 - HB VAL 63 far 0 42 0 - 9.0-11.1 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 - 5.6-6.0 HA2 GLY 114 - HB3 PRO 117 far 0 76 0 - 7.3-11.9 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 14 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 4 41 10 - 4.6-11.4 HA LEU 100 - HB VAL 63 far 0 40 0 - 6.3-7.6 HA THR 65 - HB VAL 63 far 0 33 0 - 7.3-7.5 HA3 GLY 111 - HB3 PRO 117 far 0 99 0 - 7.8-18.1 HB2 SER 106 - HB3 PRO 117 far 0 93 0 - 7.9-12.7 HB2 SER 106 - HB VAL 63 far 0 37 0 - 7.9-13.6 HB3 SER 106 - HB VAL 63 far 0 24 0 - 8.1-12.8 HA2 GLY 111 - HB VAL 63 far 0 29 0 - 8.3-14.8 HA3 GLY 111 - HB VAL 63 far 0 42 0 - 8.5-14.3 HA2 GLY 111 - HB3 PRO 117 far 0 81 0 - 8.6-18.2 HB2 SER 107 - HB3 PRO 117 far 0 57 0 - 8.8-18.4 HB3 SER 106 - HB3 PRO 117 far 0 68 0 - 8.8-13.6 HB3 SER 107 - HB3 PRO 117 far 0 99 0 - 9.4-17.6 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 3.7-4.3 4.3=100 HD22 ASN 121 + HB3 PRO 117 OK 66 71 100 93 2.6-4.5 1.7/7958=31...(13) HE22 GLN 68 - HB VAL 63 far 0 42 0 - 9.2-11.1 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 12 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 poor 9 93 25 40 4.2-10.9 11761/10574=28...(3) HA SER 107 - HG2 PRO 117 far 0 81 0 - 7.3-14.7 HA SER 107 - HG3 PRO 117 far 0 80 0 - 7.9-16.0 HA PRO 113 - HG3 PRO 117 far 0 99 0 - 8.8-13.8 HA PRO 113 - HG2 PRO 117 far 0 100 0 - 9.0-13.5 HA PRO 117 - HG3 PRO 113 far 0 90 0 - 9.6-12.9 HA SER 107 - HG3 PRO 113 far 0 67 0 - 9.6-15.5 HA ASP 78 - HG3 PRO 81 far 0 88 0 - 9.8-10.9 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 - 6.1-10.5 HG2 GLU 102 - HG3 PRO 117 far 0 100 0 - 7.6-11.9 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 10 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 HB3 PRO 56 - HG3 PRO 113 far 13 87 15 - 5.0-9.9 HG3 ARG 135 - HG3 PRO 81 far 0 73 0 - 6.2-10.3 HG3 PRO 56 - HG3 PRO 113 far 0 90 0 - 6.3-10.3 HB2 GLN 134 - HG3 PRO 81 far 0 95 0 - 6.8-13.0 HG2 PRO 56 - HG3 PRO 113 far 0 90 0 - 7.1-11.6 HB2 GLU 55 - HG3 PRO 113 far 0 73 0 - 9.3-13.7 HB3 GLU 40 - HG3 PRO 81 far 0 65 0 - 9.8-17.7 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 2.3-3.0 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 3 63 5 - 4.7-6.4 HA2 GLY 114 - HG3 PRO 117 far 0 75 0 - 6.5-11.6 HA LYS 86 - HG3 PRO 81 far 0 62 0 - 7.4-8.9 HA2 GLY 114 - HG2 PRO 117 far 0 76 0 - 7.6-11.6 HD2 PRO 117 - HG3 PRO 113 far 0 90 0 - 7.9-12.6 HA GLU 40 - HG3 PRO 81 far 0 86 0 - 8.8-16.0 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 20 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 HA3 GLY 111 - HG2 PRO 117 far 0 99 0 - 5.7-16.8 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 5.8-11.0 HA3 GLY 111 - HG3 PRO 117 far 0 98 0 - 6.2-17.3 HA2 GLY 111 - HG2 PRO 117 far 0 81 0 - 6.6-17.0 HA2 GLY 111 - HG3 PRO 117 far 0 80 0 - 6.6-17.8 HB3 SER 106 - HG2 PRO 117 far 0 68 0 - 6.8-11.6 HB2 SER 106 - HG3 PRO 117 far 0 92 0 - 7.0-12.4 HB2 SER 107 - HG2 PRO 117 far 0 57 0 - 7.1-16.7 HB3 SER 106 - HG3 PRO 117 far 0 67 0 - 7.3-12.6 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 7.6-16.0 HB2 SER 107 - HG3 PRO 117 far 0 56 0 - 8.1-18.0 HA2 GLY 111 - HG3 PRO 113 far 0 67 0 - 8.2-9.1 HA3 GLY 111 - HG3 PRO 113 far 0 88 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 90 0 - 8.4-13.1 HB3 SER 107 - HG3 PRO 117 far 0 98 0 - 8.8-17.4 HA LEU 100 - HG2 PRO 117 far 0 98 0 - 9.1-10.6 HB2 SER 107 - HG3 PRO 113 far 0 46 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.72 A): 4 out of 6 assignments used, quality = 1.00: * H VAL 118 + HG2 PRO 117 OK 100 100 100 100 2.9-4.1 7638/2.3=73, 7637/2.3=71...(13) H VAL 118 + HG3 PRO 117 OK 99 100 100 99 4.3-5.2 7638/2.3=73, 7637/2.3=71...(10) HD22 ASN 121 + HG2 PRO 117 OK 62 71 100 87 3.6-5.5 3710/2.3=31, ~7958=24...(12) HD22 ASN 121 + HG3 PRO 117 OK 24 70 40 87 4.6-6.5 3710/2.3=31, ~7958=24...(12) H GLU 55 - HG3 PRO 113 far 0 90 0 - 8.5-13.1 H VAL 118 - HG3 PRO 113 far 0 90 0 - 9.4-13.2 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 13 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 PRO 81 poor 9 93 25 40 4.2-10.9 11761/10574=29...(3) HA GLN 134 - HG3 ARG 135 far 0 56 0 - 5.1-7.2 HA SER 107 - HG2 PRO 117 far 0 80 0 - 7.3-14.7 HA SER 107 - HG3 PRO 117 far 0 81 0 - 7.9-16.0 HA PRO 113 - HG3 PRO 117 far 0 100 0 - 8.8-13.8 HA PRO 113 - HG2 PRO 117 far 0 99 0 - 9.0-13.5 HA PRO 117 - HG3 PRO 113 far 0 84 0 - 9.6-12.9 HA SER 107 - HG3 PRO 113 far 0 61 0 - 9.6-15.5 HA ASP 78 - HG3 PRO 81 far 0 89 0 - 9.8-10.9 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 - 6.1-10.5 HG2 GLU 128 - HG3 ARG 135 far 0 57 0 - 6.4-11.0 HG2 GLU 102 - HG3 PRO 117 far 0 100 0 - 7.6-11.9 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 14 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 HB3 PRO 56 - HG3 PRO 113 far 12 81 15 - 5.0-9.9 HB2 GLN 134 - HG3 ARG 135 far 0 58 0 - 5.5-8.0 HG3 ARG 135 - HG3 PRO 81 far 0 73 0 - 6.2-10.3 HG2 PRO 81 - HG3 ARG 135 far 0 61 0 - 6.3-11.2 HG3 PRO 56 - HG3 PRO 113 far 0 84 0 - 6.3-10.3 HB2 GLN 134 - HG3 PRO 81 far 0 96 0 - 6.8-13.0 HG2 PRO 56 - HG3 PRO 113 far 0 84 0 - 7.1-11.6 HB ILE 129 - HG3 ARG 135 far 0 64 0 - 9.0-12.0 HB2 GLU 55 - HG3 PRO 113 far 0 67 0 - 9.3-13.7 HB2 GLU 91 - HG3 ARG 135 far 0 56 0 - 9.7-12.7 HB3 GLU 40 - HG3 PRO 81 far 0 65 0 - 9.8-17.7 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 2.3-3.0 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 3 57 5 - 4.7-6.4 HA2 GLY 114 - HG3 PRO 117 far 0 76 0 - 6.5-11.6 HD2 PRO 81 - HG3 ARG 135 far 0 62 0 - 7.0-10.4 HA LYS 86 - HG3 ARG 135 far 0 34 0 - 7.4-10.4 HA LYS 86 - HG3 PRO 81 far 0 63 0 - 7.4-8.9 HA2 GLY 114 - HG2 PRO 117 far 0 75 0 - 7.6-11.6 HD2 PRO 117 - HG3 PRO 113 far 0 84 0 - 7.9-12.6 HA GLU 40 - HG3 PRO 81 far 0 87 0 - 8.8-16.0 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 21 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 HA3 GLY 111 - HG2 PRO 117 far 0 98 0 - 5.7-16.8 HB2 SER 106 - HG2 PRO 117 far 0 92 0 - 5.8-11.0 HA3 GLY 111 - HG3 PRO 117 far 0 99 0 - 6.2-17.3 HA2 GLY 111 - HG2 PRO 117 far 0 80 0 - 6.6-17.0 HA2 GLY 111 - HG3 PRO 117 far 0 81 0 - 6.6-17.8 HB3 SER 106 - HG2 PRO 117 far 0 67 0 - 6.8-11.6 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 7.0-12.4 HB2 SER 107 - HG2 PRO 117 far 0 56 0 - 7.1-16.7 HB3 SER 106 - HG3 PRO 117 far 0 68 0 - 7.3-12.6 HB3 SER 107 - HG2 PRO 117 far 0 98 0 - 7.6-16.0 HB2 SER 107 - HG3 PRO 117 far 0 57 0 - 8.1-18.0 HA2 GLY 111 - HG3 PRO 113 far 0 61 0 - 8.2-9.1 HA3 GLY 111 - HG3 PRO 113 far 0 82 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 84 0 - 8.4-13.1 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 8.8-17.4 HA LEU 100 - HG2 PRO 117 far 0 97 0 - 9.1-10.6 HA GLN 127 - HG3 ARG 135 far 0 52 0 - 9.6-14.0 HB2 SER 107 - HG3 PRO 113 far 0 42 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.72 A): 4 out of 6 assignments used, quality = 1.00: * H VAL 118 + HG3 PRO 117 OK 99 100 100 99 4.3-5.2 7638/2.3=73, 7637/2.3=71...(10) H VAL 118 + HG2 PRO 117 OK 99 100 100 100 2.9-4.1 7638/2.3=73, 7637/2.3=71...(13) HD22 ASN 121 + HG2 PRO 117 OK 60 70 100 87 3.6-5.5 3710/2.3=31, ~7958=24...(12) HD22 ASN 121 + HG3 PRO 117 OK 25 71 40 87 4.6-6.5 3710/2.3=31, ~7958=24...(12) H GLU 55 - HG3 PRO 113 far 0 84 0 - 8.5-13.1 H VAL 118 - HG3 PRO 113 far 0 84 0 - 9.4-13.2 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 2.9-2.9 2.8=100 HD22 ASN 121 + HA VAL 118 OK 71 71 100 100 1.9-4.8 3.5/3735=55, 3.5/3734=55...(32) H LEU 98 - HA VAL 118 far 0 85 0 - 8.3-10.1 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 98 4.3-4.6 ~11590=31, ~7638=30...(25) HB2 GLU 102 - HA VAL 118 far 7 71 10 - 4.8-7.7 HG3 PRO 117 - HA VAL 118 far 0 99 0 - 5.9-6.2 HB2 LEU 62 - HA VAL 118 far 0 100 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 3730 from cnoeabs.peaks (0.90, 3.81, 65.23 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 LEU 62 - HA VAL 118 far 0 93 0 - 5.5-7.4 QD2 LEU 98 - HA VAL 118 far 0 76 0 - 6.9-9.4 QG2 VAL 63 - HA VAL 118 far 0 97 0 - 7.6-8.8 QD2 LEU 123 - HA VAL 118 far 0 92 0 - 7.6-8.9 QD1 LEU 123 - HA VAL 118 far 0 63 0 - 8.0-9.3 QG2 VAL 112 - HA VAL 118 far 0 73 0 - 8.1-12.1 QD1 LEU 49 - HA VAL 118 far 0 95 0 - 8.7-11.6 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 2.3-2.4 3.2=100 QG2 VAL 105 - HA VAL 118 far 0 99 0 - 7.7-9.4 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 2.9-3.4 7689=100, 7700/3735=73...(22) 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 2.0-4.8 3839=100, 1.8/3735=94...(33) HB3 ASN 120 + HA VAL 118 OK 52 100 55 95 5.1-7.0 4.4/7689=55, 3.8/7661=44...(12) HB2 ASN 120 - HA VAL 118 far 10 100 10 - 4.4-6.7 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 1.9-3.2 3847=100, 1.8/3734=87...(30) 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 2.3-2.5 7642/2.1=73, 4.0=71...(19) HD22 ASN 121 - HB VAL 118 far 0 71 0 - 4.7-7.5 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 8 assignments used, quality = 1.00: * QG1 VAL 118 + HB VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 - HB VAL 118 far 0 93 0 - 4.0-6.2 QG2 VAL 63 - HB VAL 118 far 0 97 0 - 5.7-7.2 QG2 VAL 112 - HB VAL 118 far 0 73 0 - 6.2-10.1 QD2 LEU 123 - HB VAL 118 far 0 92 0 - 8.0-9.8 QD1 LEU 49 - HB VAL 118 far 0 95 0 - 8.5-11.4 QD2 LEU 98 - HB VAL 118 far 0 76 0 - 8.9-10.8 QD1 LEU 123 - HB VAL 118 far 0 63 0 - 9.1-10.4 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 - 6.2-9.0 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 1 assignment used, quality = 1.00: * H LEU 119 + HB VAL 118 OK 100 100 100 100 2.2-3.0 7648=100, 3753/2.1=73...(17) Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (7.75, 0.90, 21.66 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 118 + QG1 VAL 118 OK 100 100 100 100 3.7-3.8 3.9=100 HD22 ASN 121 + QG1 VAL 118 OK 53 71 75 100 3.3-5.9 1.7/10329=79...(34) H LEU 98 - QG1 VAL 118 far 0 85 0 - 6.6-7.2 H GLU 55 - QG1 VAL 118 far 0 100 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (3.81, 0.90, 21.66 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 HB2 SER 50 - QG1 VAL 118 far 0 78 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (2.06, 0.90, 21.66 ppm; 3.06 A): 2 out of 7 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 OK 31 71 45 98 2.8-5.8 1.8/11606=44...(20) HB2 LEU 62 - QG1 VAL 118 far 0 100 0 - 4.2-6.5 HG2 PRO 117 - QG1 VAL 118 far 0 100 0 - 5.3-5.8 HG3 PRO 117 - QG1 VAL 118 far 0 99 0 - 6.7-7.2 QE MET 11 - QG1 VAL 118 far 0 90 0 - 9.3-38.4 HG3 PRO 113 - QG1 VAL 118 far 0 100 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3745 from cnoeabs.peaks (0.90, 0.90, 21.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 118 + QG1 VAL 118 OK 100 100 - 100 Peak 3746 from cnoeabs.peaks (1.01, 0.90, 21.66 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + QG1 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 105 - QG1 VAL 118 far 0 99 0 - 4.7-6.3 QD1 LEU 69 - QG1 VAL 118 far 0 100 0 - 8.2-10.5 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 3 assignments used, quality = 1.00: * H LEU 119 + QG1 VAL 118 OK 100 100 100 100 3.0-3.6 4.1=100 HE22 GLN 61 - QG1 VAL 118 far 0 89 0 - 8.7-13.5 H THR 54 - QG1 VAL 118 far 0 99 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (7.75, 1.01, 22.19 ppm; 3.04 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.2-2.6 7642=80, 2.8/3749=51...(14) HD22 ASN 121 + QG2 VAL 118 OK 52 71 75 98 2.7-4.9 3.5/11604=29, ~10329=25...(30) H LEU 98 - QG2 VAL 118 far 0 85 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 3749 from cnoeabs.peaks (3.81, 1.01, 22.19 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.3-2.4 3731=88, 2.8/7642=46...(17) Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (2.06, 1.01, 22.19 ppm; 2.67 A): 3 out of 6 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 70 100 100 70 2.7-3.5 2.3/11590=28...(15) HB2 GLU 102 + QG2 VAL 118 OK 33 71 50 92 1.9-5.1 1.8/11545=34...(15) HG3 PRO 117 - QG2 VAL 118 far 0 99 0 - 4.3-4.9 HB2 LEU 62 - QG2 VAL 118 far 0 100 0 - 6.4-8.5 HG3 PRO 113 - QG2 VAL 118 far 0 100 0 - 9.7-13.2 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 1.9-2.1 2.1=100 QD1 LEU 62 - QG2 VAL 118 far 0 93 0 - 4.9-6.9 QG2 VAL 112 - QG2 VAL 118 far 0 73 0 - 5.3-8.9 QG2 VAL 63 - QG2 VAL 118 far 0 97 0 - 5.4-6.7 QD2 LEU 98 - QG2 VAL 118 far 0 76 0 - 5.9-8.0 QD2 LEU 123 - QG2 VAL 118 far 0 92 0 - 8.1-9.1 QD1 LEU 49 - QG2 VAL 118 far 0 95 0 - 8.3-10.5 QD1 LEU 123 - QG2 VAL 118 far 0 63 0 - 8.5-9.7 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 1 assignment 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...(13) 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 2.7-2.8 2.8=100 H THR 54 - HA LEU 119 far 0 99 0 - 7.1-10.3 HE22 GLN 61 - HA LEU 119 far 0 89 0 - 8.1-12.9 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): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.3-2.6 2.9=100 HB2 LEU 53 + HA LEU 119 OK 39 73 55 96 3.6-7.8 3.1/11845=71...(24) HG LEU 103 - HA LEU 119 far 14 97 15 - 4.1-7.8 HG LEU 123 - HA LEU 119 far 0 78 0 - 6.0-7.8 HG LEU 49 - HA LEU 119 far 0 65 0 - 6.8-9.9 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (1.87, 4.03, 57.80 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 LEU 123 + HA LEU 119 OK 41 99 75 55 4.1-6.0 3927/4.9=34...(7) Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (1.62, 4.03, 57.80 ppm; 4.79 A): 5 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 100 100 2.3-4.3 3.7=100 HG LEU 122 + HA LEU 119 OK 79 89 90 99 2.7-6.5 3.0/3764=76...(22) HB2 LEU 122 + HA LEU 119 OK 71 95 75 100 3.5-6.2 1.8/3764=91, 3.5/3762=55...(21) HG LEU 62 + HA LEU 119 OK 37 68 55 98 4.8-6.3 2.1/10954=81...(11) HB2 LEU 123 + HA LEU 119 OK 26 63 55 74 4.6-6.7 3813/4.9=33, 1.8/3757=27...(10) Violated in 0 structures by 0.00 A. Peak 3759 from cnoeabs.peaks (0.80, 4.03, 57.80 ppm; 3.29 A): 5 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.1-3.5 3790=100, 2.1/3798=56...(19) QD1 LEU 122 + HA LEU 119 OK 76 99 85 89 2.2-6.0 11702=38, 3.1/3764=36...(22) QD1 LEU 103 + HA LEU 119 OK 28 85 60 56 1.9-6.1 11426/2.8=16, 3397=16...(10) QD2 LEU 122 + HA LEU 119 OK 28 93 35 85 2.4-5.9 3.1/3764=36...(20) QD1 LEU 53 + HA LEU 119 OK 26 99 30 89 3.5-7.4 2.1/11845=59...(21) QD2 LEU 49 - HA LEU 119 far 0 100 0 - 5.0-7.7 QD1 LEU 96 - HA LEU 119 far 0 60 0 - 6.6-8.1 QG1 VAL 63 - HA LEU 119 far 0 87 0 - 7.6-9.4 QD1 LEU 70 - HA LEU 119 far 0 87 0 - 9.6-13.4 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 11 assignments used, quality = 1.00: * QD1 LEU 119 + HA LEU 119 OK 100 100 100 100 3.2-3.9 3798=99, 2.1/3790=80...(12) QD2 LEU 53 + HA LEU 119 OK 54 71 85 90 1.9-7.5 11845=59, 3771/2.9=14...(19) QD1 LEU 62 + HA LEU 119 OK 51 63 100 81 2.0-4.1 10954=26, 3795/3790=20...(11) QD1 LEU 49 - HA LEU 119 far 0 60 0 - 5.4-8.7 QG2 VAL 126 - HA LEU 119 far 0 78 0 - 6.0-7.6 QD1 LEU 123 - HA LEU 119 far 0 93 0 - 6.1-7.4 QG1 VAL 126 - HA LEU 119 far 0 92 0 - 7.8-9.1 QG1 VAL 57 - HA LEU 119 far 0 99 0 - 8.1-9.8 QG2 VAL 112 - HA LEU 119 far 0 87 0 - 8.6-11.5 QD1 LEU 48 - HA LEU 119 far 0 87 0 - 9.5-12.5 QG1 VAL 112 - HA LEU 119 far 0 68 0 - 9.6-11.1 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 3.4-3.6 3.6=100 H LEU 103 - HA LEU 119 far 0 100 0 - 6.6-9.2 H ALA 109 - HA LEU 119 far 0 99 0 - 9.2-14.4 H ALA 108 - HA LEU 119 far 0 100 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (8.18, 4.03, 57.80 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 122 + HA LEU 119 OK 100 100 100 100 3.7-4.5 3.5/3764=76, 7675/3.6=67...(18) H VAL 63 - HA LEU 119 far 0 87 0 - 7.2-8.4 H GLN 127 - HA LEU 119 far 0 93 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (1.61, 4.03, 57.80 ppm; 4.62 A): 3 out of 3 assignments used, quality = 1.00: HG LEU 119 + HA LEU 119 OK 95 95 100 100 2.3-4.3 3.7=100 HG LEU 122 + HA LEU 119 OK 84 100 85 99 2.7-6.5 3.0/3764=72...(22) * HB2 LEU 122 + HA LEU 119 OK 69 100 70 99 3.5-6.2 1.8/3764=88, 3.5/3762=51...(21) Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (1.79, 4.03, 57.80 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.50: * HB3 LEU 122 + HA LEU 119 OK 50 100 55 91 3.0-5.7 3.5/3762=42...(22) HB3 LEU 123 - HA LEU 119 lone 6 39 75 20 4.1-6.0 3.9/7737=12, 1.8/3758=6 HG LEU 100 - HA LEU 119 far 0 89 0 - 5.2-9.2 HB3 LEU 103 - HA LEU 119 far 0 100 0 - 5.3-8.2 HB2 LEU 100 - HA LEU 119 far 0 63 0 - 6.5-9.4 Violated in 11 structures by 0.55 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 2.8-3.6 3.9=100 H THR 54 - HB2 LEU 119 far 10 99 10 - 5.5-8.7 HE22 GLN 61 - HB2 LEU 119 far 0 89 0 - 7.1-12.4 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (4.03, 1.54, 40.68 ppm; 4.85 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.3-2.6 2.9=100 HA LEU 103 - HB2 LEU 119 far 0 98 0 - 7.1-10.6 HA SER 50 - HB2 LEU 119 far 0 60 0 - 7.3-9.3 HB3 SER 99 - HB2 LEU 119 far 0 83 0 - 7.5-10.1 HA LEU 122 - HB2 LEU 119 far 0 73 0 - 7.9-8.7 HB3 SER 124 - HB2 LEU 119 far 0 100 0 - 9.0-10.9 HA SER 60 - HB2 LEU 119 far 0 90 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 3767 from cnoeabs.peaks (1.54, 1.54, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 119 + HB2 LEU 119 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (1.87, 1.54, 40.68 ppm; 3.94 A): 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 5 99 5 - 4.8-6.4 Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (1.62, 1.54, 40.68 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.6-3.0 2.9=100 HG LEU 62 + HB2 LEU 119 OK 51 68 75 100 3.9-6.4 3.0/10951=46...(33) HG LEU 122 + HB2 LEU 119 OK 22 89 25 98 4.8-8.6 ~3764=32, ~3764=29...(37) HB2 LEU 123 - HB2 LEU 119 far 0 63 0 - 5.3-7.6 HB2 LEU 122 - HB2 LEU 119 far 0 95 0 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (0.80, 1.54, 40.68 ppm; 4.06 A): 5 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 122 + HB2 LEU 119 OK 52 99 55 96 3.8-8.1 11702/2.9=40, ~3764=26...(39) QD1 LEU 53 + HB2 LEU 119 OK 46 99 50 94 3.3-7.0 ~11845=40, ~11725=22...(25) QD1 LEU 103 + HB2 LEU 119 OK 34 85 55 73 3.1-7.2 11426/3.9=24...(19) QD2 LEU 122 + HB2 LEU 119 OK 22 93 25 96 4.3-7.6 ~3764=26, ~3764=23...(37) QD2 LEU 49 - HB2 LEU 119 far 0 100 0 - 5.6-8.6 QD1 LEU 96 - HB2 LEU 119 far 0 60 0 - 8.1-10.1 QG1 VAL 63 - HB2 LEU 119 far 0 87 0 - 8.8-11.4 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 11 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.1-3.1 3.0=100 QD1 LEU 62 + HB2 LEU 119 OK 60 63 100 96 1.9-3.6 3.2/10951=35, ~10992=34...(27) QD2 LEU 53 + HB2 LEU 119 OK 58 71 90 90 1.9-6.6 11845/2.9=38...(24) QD1 LEU 49 - HB2 LEU 119 far 0 60 0 - 5.9-10.3 QD1 LEU 123 - HB2 LEU 119 far 0 93 0 - 6.4-7.8 QG1 VAL 57 - HB2 LEU 119 far 0 99 0 - 6.7-8.6 QG2 VAL 126 - HB2 LEU 119 far 0 78 0 - 7.5-9.3 QG2 VAL 112 - HB2 LEU 119 far 0 87 0 - 8.2-10.7 QG1 VAL 112 - HB2 LEU 119 far 0 68 0 - 8.4-10.2 QG1 VAL 126 - HB2 LEU 119 far 0 92 0 - 8.8-10.5 QD1 LEU 48 - HB2 LEU 119 far 0 87 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (8.08, 1.54, 40.68 ppm; 5.63 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + HB2 LEU 119 OK 100 100 100 100 3.2-4.4 4.6=100 H LEU 103 - HB2 LEU 119 far 0 100 0 - 8.4-11.5 H ALA 109 - HB2 LEU 119 far 0 99 0 - 9.6-14.6 H ALA 108 - HB2 LEU 119 far 0 100 0 - 10.0-13.7 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 2.2-3.5 3.9=100 H THR 54 - HB3 LEU 119 far 0 99 0 - 6.1-9.1 HE22 GLN 61 - HB3 LEU 119 far 0 89 0 - 8.7-13.8 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 2.6-3.0 2.9=100 HA SER 50 - HB3 LEU 119 far 0 60 0 - 7.1-9.9 HA LEU 103 - HB3 LEU 119 far 0 98 0 - 7.3-10.6 HB3 SER 99 - HB3 LEU 119 far 0 83 0 - 7.5-9.9 HA LEU 122 - HB3 LEU 119 far 0 73 0 - 7.8-8.9 HB3 SER 124 - HB3 LEU 119 far 0 100 0 - 8.4-9.9 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 5 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 poor 20 73 30 90 2.2-6.3 ~11845=20, ~11621=19...(33) HG LEU 123 - HB3 LEU 119 far 0 78 0 - 6.1-8.2 HG LEU 103 - HB3 LEU 119 far 0 97 0 - 6.3-9.5 HG LEU 49 - HB3 LEU 119 far 0 65 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 3776 from cnoeabs.peaks (1.87, 1.87, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 119 + HB3 LEU 119 OK 100 100 - 100 Peak 3777 from cnoeabs.peaks (1.62, 1.87, 40.68 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 LEU 123 - HB3 LEU 119 far 0 63 0 - 5.0-7.7 HG LEU 122 - HB3 LEU 119 far 0 89 0 - 5.2-9.2 HG LEU 62 - HB3 LEU 119 far 0 68 0 - 5.2-7.2 HB2 LEU 122 - HB3 LEU 119 far 0 95 0 - 6.2-8.9 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 2.5-3.2 3.1=100 QD1 LEU 53 - HB3 LEU 119 far 15 99 15 - 4.1-7.2 QD1 LEU 103 - HB3 LEU 119 far 13 85 15 - 3.7-8.0 QD1 LEU 122 - HB3 LEU 119 far 5 99 5 - 4.4-8.4 QD2 LEU 122 - HB3 LEU 119 far 0 93 0 - 4.9-8.2 QD2 LEU 49 - HB3 LEU 119 far 0 100 0 - 6.6-9.6 QD1 LEU 96 - HB3 LEU 119 far 0 60 0 - 8.7-10.5 QG1 VAL 63 - HB3 LEU 119 far 0 87 0 - 9.8-11.5 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 10 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.9-3.1 3.0=100 QD1 LEU 62 + HB3 LEU 119 OK 61 63 100 97 3.1-4.3 ~10992=37, ~10951=31...(28) QD2 LEU 53 + HB3 LEU 119 OK 58 71 90 91 2.0-6.4 11845/2.9=40...(23) QD1 LEU 123 - HB3 LEU 119 far 0 93 0 - 6.2-8.5 QD1 LEU 49 - HB3 LEU 119 far 0 60 0 - 7.0-11.1 QG1 VAL 57 - HB3 LEU 119 far 0 99 0 - 7.0-9.6 QG2 VAL 126 - HB3 LEU 119 far 0 78 0 - 7.4-9.8 QG2 VAL 112 - HB3 LEU 119 far 0 87 0 - 7.8-10.9 QG1 VAL 112 - HB3 LEU 119 far 0 68 0 - 7.9-9.7 QG1 VAL 126 - HB3 LEU 119 far 0 92 0 - 8.9-11.3 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 2.4-3.8 4.6=100 H LEU 103 - HB3 LEU 119 far 0 100 0 - 8.7-11.2 H ALA 109 - HB3 LEU 119 far 0 99 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3781 from cnoeabs.peaks (7.54, 1.62, 27.00 ppm; 3.98 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 119 + HG LEU 119 OK 100 100 100 100 1.8-3.6 7654=100, 3797/2.1=68...(25) H LEU 119 + HG LEU 122 OK 30 70 45 97 4.5-8.3 ~3764=27, ~3764=24...(38) HE22 GLN 27 - HG3 ARG 23 far 5 97 5 - 4.7-16.1 H GLN 82 - HG2 ARG 84 far 0 56 0 - 4.9-9.4 H GLN 82 - HG3 ARG 84 far 0 56 0 - 6.2-9.0 HE22 GLN 27 - HG LEU 22 far 0 84 0 - 6.7-20.0 H THR 54 - HG LEU 119 far 0 99 0 - 7.4-11.2 HE22 GLN 61 - HG LEU 119 far 0 89 0 - 8.8-13.4 H THR 54 - HG LEU 122 far 0 67 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. Peak 3782 from cnoeabs.peaks (4.03, 1.62, 27.00 ppm; 4.39 A): 4 out of 28 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 100 100 2.3-4.3 3.7=100 HA LEU 119 + HG LEU 122 OK 55 70 80 98 2.7-6.5 3764/3.0=66...(21) HB3 SER 99 + HG LEU 122 OK 48 51 95 99 2.3-5.4 11476/2.1=42, ~11479=39...(24) HA LEU 122 + HG LEU 122 OK 44 44 100 100 2.1-4.3 4.3=100 HA LEU 96 - HG LEU 122 poor 17 57 30 - 3.1-5.9 HA LEU 103 - HG LEU 119 far 5 98 5 - 4.8-10.0 HA LEU 103 - HG LEU 122 far 0 65 0 - 6.7-9.3 HB3 SER 99 - HG LEU 119 far 0 83 0 - 6.7-9.6 HD3 PRO 81 - HG2 ARG 84 far 0 57 0 - 7.0-13.0 HB3 SER 124 - HG LEU 122 far 0 69 0 - 7.0-10.0 HA LEU 96 - HG LEU 70 far 0 78 0 - 7.2-8.7 HA SER 50 - HG LEU 122 far 0 35 0 - 7.3-10.6 HA LYS 95 - HG LEU 122 far 0 68 0 - 7.4-10.1 HA ARG 135 - HG3 ARG 84 far 0 61 0 - 7.4-11.3 HD3 PRO 81 - HG3 ARG 84 far 0 57 0 - 7.8-12.8 HA ARG 135 - HG2 ARG 84 far 0 61 0 - 8.1-12.5 HA LEU 122 - HG LEU 70 far 0 62 0 - 8.3-10.5 HB3 SER 99 - HG LEU 70 far 0 71 0 - 8.4-11.5 HA LEU 122 - HG LEU 119 far 0 73 0 - 8.5-10.3 HA LYS 95 - HG LEU 70 far 0 90 0 - 8.8-10.9 HA SER 60 - HG LEU 119 far 0 90 0 - 8.9-11.8 HA GLU 102 - HG LEU 122 far 0 42 0 - 8.9-10.8 HA SER 50 - HG LEU 119 far 0 60 0 - 9.1-11.8 HA ALA 92 - HG LEU 122 far 0 47 0 - 9.1-12.2 HA GLU 102 - HG LEU 119 far 0 71 0 - 9.2-13.9 HA SER 60 - HG LEU 22 far 0 73 0 - 9.2-44.5 HA GLU 102 - HG LEU 70 far 0 60 0 - 9.8-13.6 HA SER 60 - HG LEU 122 far 0 57 0 - 9.9-12.2 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 15 assignments used, quality = 1.00: * HB2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 LEU 22 + HG LEU 22 OK 87 87 100 100 2.3-3.0 3.0=100 HG LEU 103 - HG LEU 119 poor 19 97 20 - 3.9-9.8 HB2 LEU 119 - HG LEU 122 poor 17 70 25 - 4.8-8.6 HB2 LEU 53 - HG LEU 119 far 7 73 10 - 4.6-8.6 HG LEU 103 - HG LEU 122 far 6 63 10 - 4.2-9.3 HB2 LEU 53 - HG LEU 122 far 0 44 0 - 5.9-11.7 HG LEU 49 - HG LEU 122 far 0 38 0 - 6.1-9.1 HB2 LEU 22 - HG3 ARG 23 far 0 99 0 - 6.1-7.8 HG LEU 123 - HG LEU 122 far 0 47 0 - 6.3-9.4 HG LEU 123 - HG LEU 119 far 0 78 0 - 7.9-10.2 HG LEU 49 - HG LEU 70 far 0 55 0 - 8.9-13.0 HB3 LEU 42 - HG LEU 70 far 0 92 0 - 9.9-13.1 HG LEU 103 - HG LEU 70 far 0 86 0 - 9.9-13.2 HG LEU 49 - HG LEU 119 far 0 65 0 - 10.0-13.0 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 4 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 100 100 2.3-2.9 2.9=100 HB3 LEU 123 - HG LEU 122 poor 12 67 35 51 4.0-7.1 7750/7743=18, ~11571=12...(9) HB3 LEU 119 - HG LEU 122 far 0 70 0 - 5.2-9.2 HB3 LEU 123 - HG LEU 119 far 0 99 0 - 6.5-8.9 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 21 85 45 54 1.9-7.3 11426/7654=11...(15) QD1 LEU 96 - HG LEU 122 poor 14 35 40 - 2.2-5.3 QD2 LEU 122 - HG LEU 119 far 5 93 5 - 3.8-8.6 QD2 LEU 49 - HG LEU 122 far 3 69 5 - 3.6-6.4 QD1 LEU 53 - HG LEU 122 far 3 67 5 - 3.3-8.9 QD1 LEU 103 - HG LEU 122 far 3 52 5 - 3.3-6.8 QD1 LEU 96 - HG LEU 70 far 2 50 5 - 3.8-5.2 QD1 LEU 122 - HG LEU 119 far 0 99 0 - 4.4-7.9 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 4.6-8.5 QD1 ILE 32 - HG LEU 22 far 0 57 0 - 4.7-18.4 QD2 LEU 122 - HG LEU 70 far 0 82 0 - 4.7-8.4 QG2 ILE 80 - HG2 ARG 84 far 0 56 0 - 5.0-7.7 QD1 LEU 122 - HG LEU 70 far 0 90 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 99 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 91 0 - 5.5-9.0 QG2 ILE 80 - HG3 ARG 84 far 0 56 0 - 5.8-7.7 QD1 ILE 32 - HG3 ARG 23 far 0 71 0 - 5.9-18.0 QG1 VAL 63 - HG LEU 122 far 0 54 0 - 6.0-9.0 QD1 LEU 70 - HG LEU 122 far 0 54 0 - 6.2-9.8 HG13 ILE 80 - HG2 ARG 84 far 0 41 0 - 6.2-12.6 QG1 VAL 63 - HG LEU 70 far 0 75 0 - 6.2-7.9 HG13 ILE 80 - HG3 ARG 84 far 0 41 0 - 6.7-12.4 QG2 ILE 129 - HG LEU 70 far 0 69 0 - 6.9-9.2 QD2 LEU 49 - HG LEU 119 far 0 100 0 - 7.3-10.3 QD1 LEU 103 - HG LEU 70 far 0 73 0 - 7.9-11.0 QG2 ILE 129 - HG LEU 122 far 0 49 0 - 8.1-11.6 QG1 VAL 63 - HG LEU 119 far 0 87 0 - 8.3-10.9 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 8.5-15.1 QD1 LEU 96 - HG LEU 119 far 0 60 0 - 8.6-10.9 QD1 ILE 37 - HG LEU 70 far 0 66 0 - 8.7-11.3 QD1 ILE 32 - HG LEU 70 far 0 62 0 - 9.3-19.4 QG1 VAL 63 - HG3 ARG 23 far 0 85 0 - 9.7-31.9 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 27 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 58 63 100 92 2.0-4.0 ~10992=34, 3795/2.1=23...(25) QD2 LEU 53 - HG LEU 119 poor 18 71 40 63 3.5-8.4 11845/3.7=24...(11) QG2 VAL 126 - HG LEU 122 poor 17 47 35 - 2.8-5.2 QD2 LEU 53 - HG LEU 122 poor 13 42 30 - 3.0-10.2 QD1 LEU 62 - HG LEU 122 far 2 36 5 - 4.0-7.2 QD1 LEU 49 - HG LEU 122 far 0 35 0 - 4.3-7.7 QD1 LEU 119 - HG LEU 122 far 0 70 0 - 5.2-9.2 QG1 VAL 126 - HG LEU 122 far 0 58 0 - 5.4-7.6 QG2 VAL 126 - HG LEU 70 far 0 66 0 - 5.5-7.8 QD1 LEU 123 - HG LEU 122 far 0 60 0 - 5.6-8.3 QG2 VAL 112 - HG LEU 119 far 0 87 0 - 5.9-9.4 QD1 LEU 49 - HG LEU 70 far 0 50 0 - 6.3-10.7 QG1 VAL 126 - HG LEU 70 far 0 80 0 - 6.8-9.5 QG1 VAL 112 - HG LEU 119 far 0 68 0 - 6.9-8.8 QG1 VAL 57 - HG LEU 119 far 0 99 0 - 7.1-9.9 QG1 VAL 105 - HG LEU 70 far 0 75 0 - 7.3-12.5 QD1 LEU 49 - HG LEU 119 far 0 60 0 - 7.5-11.5 QD1 LEU 123 - HG LEU 119 far 0 93 0 - 7.9-9.8 QG2 ILE 37 - HG LEU 70 far 0 90 0 - 8.3-10.7 QG2 VAL 126 - HG LEU 119 far 0 78 0 - 9.0-10.4 QD1 LEU 48 - HG LEU 70 far 0 75 0 - 9.0-13.3 QD2 LEU 53 - HG LEU 70 far 0 60 0 - 9.3-16.8 QD1 LEU 48 - HG LEU 22 far 0 70 0 - 9.3-32.8 QG1 VAL 105 - HG LEU 122 far 0 54 0 - 9.4-12.2 QD1 LEU 48 - HG LEU 122 far 0 54 0 - 9.7-12.6 QG1 VAL 105 - HG LEU 22 far 0 70 0 - 10.0-37.1 Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (8.08, 1.62, 27.00 ppm; 6.27 A): 7 out of 13 assignments used, quality = 1.00: * H ASN 120 + HG LEU 119 OK 100 100 100 100 3.6-4.8 7665/2.9=99, 3804/2.1=99...(17) H ASN 120 + HG LEU 122 OK 45 70 65 99 4.3-8.3 7675/4.6=77, 3.6/3763=28...(15) H VAL 20 + HG3 ARG 23 OK 40 91 45 98 4.5-10.2 ~11960=45, ~11943=45...(14) HD22 ASN 85 + HG3 ARG 84 OK 37 63 65 90 4.3-8.5 9807/3.0=36, ~9799=26...(16) HD22 ASN 85 + HG2 ARG 84 OK 29 63 50 92 4.1-8.9 9807/3.0=36, ~9799=26...(20) H THR 25 + HG3 ARG 23 OK 28 66 65 64 5.5-7.8 6228/4.6=64 H LEU 103 + HG LEU 122 OK 25 68 65 56 5.6-7.9 ~10068=27, 7476/2.1=20...(7) H THR 25 - HG LEU 22 poor 19 53 35 - 4.2-9.3 H LEU 103 - HG LEU 119 far 10 100 10 - 6.4-11.1 H VAL 20 - HG LEU 22 far 8 77 10 - 5.8-9.4 H ALA 109 - HG LEU 119 far 0 99 0 - 7.4-12.6 H ALA 108 - HG LEU 119 far 0 100 0 - 7.6-13.2 H LEU 103 - HG LEU 70 far 0 91 0 - 8.5-11.9 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 1.8-4.2 7654/2.1=90, 4.6=90...(22) H THR 54 - QD2 LEU 119 far 5 99 5 - 5.3-9.5 HE22 GLN 61 - QD2 LEU 119 far 0 89 0 - 5.7-12.6 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 = 1.00: * HA LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.1-3.5 3.9=80, 3798/2.1=67...(19) HA LEU 103 - QD2 LEU 119 far 5 98 5 - 4.3-8.2 HB3 SER 99 - QD2 LEU 119 far 0 83 0 - 5.7-9.6 HA SER 60 - QD2 LEU 119 far 0 90 0 - 6.6-10.8 HA LEU 122 - QD2 LEU 119 far 0 73 0 - 6.9-8.9 HA SER 50 - QD2 LEU 119 far 0 60 0 - 7.1-9.6 HB3 SER 124 - QD2 LEU 119 far 0 100 0 - 7.5-10.4 HA GLU 102 - QD2 LEU 119 far 0 71 0 - 8.0-12.1 HA LEU 96 - QD2 LEU 119 far 0 90 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (1.54, 0.80, 23.00 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 103 + QD2 LEU 119 OK 31 97 60 54 2.7-7.8 2.1/3409=14...(16) HB2 LEU 53 - QD2 LEU 119 far 11 73 15 - 4.2-7.8 HG LEU 123 - QD2 LEU 119 far 0 78 0 - 6.3-8.8 HG LEU 49 - QD2 LEU 119 far 0 65 0 - 6.9-10.5 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 2.5-3.2 3.1=100 HB3 LEU 123 - QD2 LEU 119 far 5 99 5 - 4.8-7.1 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 59 68 90 96 3.2-7.0 10992=52, 2.1/3795=23...(30) HG LEU 122 - QD2 LEU 119 far 0 89 0 - 4.6-8.5 HB2 LEU 122 - QD2 LEU 119 far 0 95 0 - 4.6-8.2 HB2 LEU 123 - QD2 LEU 119 far 0 63 0 - 4.8-8.0 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 1.9-2.1 2.1=100 QD1 LEU 62 + QD2 LEU 119 OK 46 63 90 81 1.7-4.2 2.1/10992=42...(17) QD2 LEU 53 + QD2 LEU 119 OK 25 71 55 64 2.8-7.5 3.8/11621=21...(14) QG2 VAL 112 - QD2 LEU 119 far 0 87 0 - 5.3-8.7 QG1 VAL 57 - QD2 LEU 119 far 0 99 0 - 5.3-8.9 QG1 VAL 112 - QD2 LEU 119 far 0 68 0 - 5.6-7.3 QD1 LEU 49 - QD2 LEU 119 far 0 60 0 - 5.8-9.2 QD1 LEU 123 - QD2 LEU 119 far 0 93 0 - 6.3-8.0 QG2 VAL 126 - QD2 LEU 119 far 0 78 0 - 7.1-8.5 QD1 LEU 48 - QD2 LEU 119 far 0 87 0 - 8.1-12.3 QG1 VAL 126 - QD2 LEU 119 far 0 92 0 - 8.3-9.6 QG1 VAL 105 - QD2 LEU 119 far 0 87 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (8.08, 0.80, 23.00 ppm; 5.39 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + QD2 LEU 119 OK 100 100 100 100 1.8-4.9 3.6/3790=94, 7665/3.1=90...(18) H LEU 103 - QD2 LEU 119 far 15 100 15 - 5.9-9.7 H ALA 108 - QD2 LEU 119 far 10 100 10 - 6.1-11.2 H ALA 109 - QD2 LEU 119 far 5 99 5 - 5.6-10.8 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 1.6-3.6 7654/2.1=82, 4.6=71...(16) H THR 54 - QD1 LEU 119 far 0 99 0 - 5.4-8.8 HE22 GLN 61 - QD1 LEU 119 far 0 89 0 - 6.0-12.1 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 9 assignments used, quality = 1.00: * HA LEU 119 + QD1 LEU 119 OK 100 100 100 100 3.2-3.9 3790/2.1=88, 4.1=87...(11) HA LEU 103 - QD1 LEU 119 far 0 98 0 - 5.7-7.7 HB3 SER 99 - QD1 LEU 119 far 0 83 0 - 6.2-9.8 HA SER 60 - QD1 LEU 119 far 0 90 0 - 7.9-10.1 HA LEU 122 - QD1 LEU 119 far 0 73 0 - 8.0-9.3 HA SER 50 - QD1 LEU 119 far 0 60 0 - 8.2-10.3 HB3 SER 124 - QD1 LEU 119 far 0 100 0 - 9.0-10.6 HA GLU 102 - QD1 LEU 119 far 0 71 0 - 9.3-11.5 HA LEU 96 - QD1 LEU 119 far 0 90 0 - 9.8-11.7 Violated in 0 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 2.1-3.1 3.0=100 HB2 LEU 53 - QD1 LEU 119 far 4 73 5 - 3.5-6.7 HG LEU 103 - QD1 LEU 119 far 0 97 0 - 5.0-7.8 HG LEU 123 - QD1 LEU 119 far 0 78 0 - 7.1-8.9 HG LEU 49 - QD1 LEU 119 far 0 65 0 - 8.2-11.4 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 1.9-3.1 3.0=100 HB3 LEU 123 - QD1 LEU 119 far 0 99 0 - 6.2-7.7 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 3 68 5 - 4.0-6.3 HG LEU 122 - QD1 LEU 119 far 0 89 0 - 5.2-9.2 HB2 LEU 123 - QD1 LEU 119 far 0 63 0 - 6.4-8.4 HB2 LEU 122 - QD1 LEU 119 far 0 95 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (0.80, 0.94, 25.07 ppm; 2.70 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 - QD1 LEU 119 far 13 85 15 - 3.1-6.4 QD2 LEU 122 - QD1 LEU 119 far 0 93 0 - 4.2-8.1 QD1 LEU 122 - QD1 LEU 119 far 0 99 0 - 4.4-7.9 QD1 LEU 53 - QD1 LEU 119 far 0 99 0 - 5.2-7.4 QD2 LEU 49 - QD1 LEU 119 far 0 100 0 - 6.3-9.4 QG1 VAL 63 - QD1 LEU 119 far 0 87 0 - 7.9-9.3 QD1 LEU 96 - QD1 LEU 119 far 0 60 0 - 8.0-9.9 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 3.2-4.6 7665/3.0=80, 3.6/3798=76...(16) H ALA 109 - QD1 LEU 119 far 0 99 0 - 6.2-9.9 H LEU 103 - QD1 LEU 119 far 0 100 0 - 6.9-9.3 H ALA 108 - QD1 LEU 119 far 0 100 0 - 7.1-10.4 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: HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 3808 from cnoeabs.peaks (2.80, 4.42, 56.05 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 3809 from cnoeabs.peaks (7.60, 4.42, 56.05 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.99: * HD21 ASN 120 + HA ASN 120 OK 99 100 100 99 3.7-4.1 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 3.4-3.6 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 1.9-3.6 3918=100, 1.8/3927=83...(20) HG LEU 119 - HA ASN 120 far 3 63 5 - 5.3-6.5 HG LEU 62 - HA ASN 120 far 0 100 0 - 8.5-10.1 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 4.0-4.8 7665/2.9=75, ~7664=48...(19) * HB3 LEU 123 + HA ASN 120 OK 98 98 100 100 2.3-4.6 1.8/3813=88, 3927=87...(20) Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (8.08, 2.80, 37.77 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: H ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.1-3.5 3.8=100 * H ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.1-3.6 3.8=100 H ASN 120 - HB2 ASN 121 far 5 100 5 - 4.1-6.1 H LEU 103 - HB2 ASN 121 far 0 99 0 - 7.5-9.3 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 8 assignments used, quality = 1.00: HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 * HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASN 120 - HB2 ASN 121 far 0 100 0 - 5.5-6.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 6.2-11.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 6.8-11.5 HA HIS 5 - HB2 ASN 121 far 0 92 0 - 7.4-68.4 HA THR 115 - HB2 ASN 120 far 0 73 0 - 7.6-11.6 HA THR 54 - HB2 ASN 120 far 0 100 0 - 7.7-11.8 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 + HB2 ASN 120 OK 100 100 100 100 2.1-4.1 3.5=100 HD21 ASN 120 + HB3 ASN 120 OK 100 100 100 100 3.3-4.1 3.5=100 HD21 ASN 120 - HB2 ASN 121 far 5 100 5 - 3.3-9.7 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 4 assignments used, quality = 1.00: * HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.6 3.5=100 HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.2-4.1 3.5=100 HD22 ASN 120 - HB2 ASN 121 far 5 100 5 - 3.6-9.4 HE21 GLN 101 - HB2 ASN 121 far 0 77 0 - 9.9-13.6 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 2.1-3.6 3.8=100 H ASN 121 + HB3 ASN 120 OK 99 100 100 99 2.8-4.2 4.4=73, ~11626=43...(21) * H ASN 121 + HB2 ASN 120 OK 98 100 100 98 2.8-3.7 4.4=73, 2.9/11626=67...(13) Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (8.08, 2.80, 37.77 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.1-3.5 3.8=100 H ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.1-3.6 3.8=100 H ASN 120 - HB2 ASN 121 far 5 100 5 - 4.1-6.1 H LEU 103 - HB2 ASN 121 far 0 99 0 - 7.5-9.3 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 8 assignments used, quality = 1.00: * HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASN 120 - HB2 ASN 121 far 0 100 0 - 5.5-6.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 6.2-11.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 6.8-11.5 HA HIS 5 - HB2 ASN 121 far 0 92 0 - 7.4-68.4 HA THR 115 - HB2 ASN 120 far 0 73 0 - 7.6-11.6 HA THR 54 - HB2 ASN 120 far 0 100 0 - 7.7-11.8 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 + HB2 ASN 120 OK 100 100 100 100 2.1-4.1 3.5=100 * HD21 ASN 120 + HB3 ASN 120 OK 100 100 100 100 3.3-4.1 3.5=100 HD21 ASN 120 - HB2 ASN 121 far 5 100 5 - 3.3-9.7 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 4 assignments used, quality = 1.00: HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.6 3.5=100 * HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.2-4.1 3.5=100 HD22 ASN 120 - HB2 ASN 121 far 5 100 5 - 3.6-9.4 HE21 GLN 101 - HB2 ASN 121 far 0 77 0 - 9.9-13.6 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 2.1-3.6 3.8=100 * H ASN 121 + HB3 ASN 120 OK 99 100 100 99 2.8-4.2 4.4=73, ~11626=43...(21) H ASN 121 + HB2 ASN 120 OK 98 100 100 98 2.8-3.7 4.4=73, 2.9/11626=67...(13) Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (8.12, 4.49, 56.15 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HA ASN 121 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (4.49, 4.49, 56.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HA ASN 121 OK 100 100 - 100 Peak 3831 from cnoeabs.peaks (2.80, 4.49, 56.15 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 100 100 2.4-2.8 3.0=100 HB2 ASN 120 + HA ASN 121 OK 84 100 85 99 3.9-5.0 11626=92, 10300/3974=35...(14) HB3 ASN 120 - HA ASN 121 far 15 100 15 - 3.9-5.7 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 2.9-3.0 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 4.0-4.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 3834 from cnoeabs.peaks (7.78, 4.49, 56.15 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 121 + HA ASN 121 OK 100 100 100 100 4.1-4.6 4.5=100 H VAL 118 - HA ASN 121 far 0 71 0 - 6.7-7.7 Violated in 0 structures by 0.00 A. Peak 3835 from cnoeabs.peaks (8.18, 4.49, 56.15 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + HA ASN 121 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 127 - HA ASN 121 far 0 93 0 - 7.5-8.8 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 3.7-4.4 7758=100, 7769/3968=67...(12) HD22 ASN 116 - HA ASN 121 far 0 60 0 - 7.8-12.4 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (4.00, 4.49, 56.15 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 124 + HA ASN 121 OK 100 100 100 100 3.5-4.9 3968=100, 1.8/3974=93...(6) HB3 SER 99 + HA ASN 121 OK 32 97 50 66 4.6-6.5 11475/10324=34...(8) HA LYS 95 - HA ASN 121 far 0 73 0 - 8.3-10.1 HA SER 50 - HA ASN 121 far 0 100 0 - 9.1-11.3 Violated in 0 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 3.4-4.8 3974=100, 1.8/3968=88...(7) HA LEU 122 + HA ASN 121 OK 79 83 100 95 4.7-4.8 4.9=65, 3.0/10323=34...(10) HB3 SER 99 - HA ASN 121 poor 15 73 20 - 4.6-6.5 HA LEU 96 - HA ASN 121 far 0 96 0 - 6.0-7.5 HA LEU 119 - HA ASN 121 far 0 100 0 - 6.6-7.1 HA LYS 95 - HA ASN 121 far 0 97 0 - 8.3-10.1 HA ALA 92 - HA ASN 121 far 0 87 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (3.81, 2.80, 37.82 ppm; 5.56 A): 3 out of 3 assignments used, quality = 1.00: * HA VAL 118 + HB2 ASN 121 OK 100 100 100 100 2.0-4.8 3734=100, 3735/1.8=100...(33) HA VAL 118 + HB3 ASN 120 OK 94 100 95 99 5.1-7.0 7689/4.4=74, 7661/3.8=63...(11) HA VAL 118 + HB2 ASN 120 OK 89 100 90 99 4.4-6.7 7689/4.4=74...(9) 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 2.1-3.6 3.8=100 H ASN 121 + HB3 ASN 120 OK 100 100 100 100 2.8-4.2 4.4=100 H ASN 121 + HB2 ASN 120 OK 100 100 100 100 2.8-3.7 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 2.4-2.8 3.0=100 HA ASN 121 + HB2 ASN 120 OK 99 100 100 99 3.9-5.0 3974/10300=66...(13) HA ASN 121 + HB3 ASN 120 OK 95 100 100 96 3.9-5.7 3831/1.8=46, 2.9/7695=30...(12) HB THR 54 - HB3 ASN 120 far 0 72 0 - 8.5-13.5 HB THR 54 - HB2 ASN 120 far 0 72 0 - 9.0-13.6 Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (2.80, 2.80, 37.82 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 Peak 3843 from cnoeabs.peaks (2.98, 2.80, 37.82 ppm; 3.25 A): 1 out of 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 - 4.9-7.2 HB3 ASN 121 - HB2 ASN 120 far 0 100 0 - 5.0-6.4 Violated in 0 structures by 0.00 A. Peak 3844 from cnoeabs.peaks (6.88, 2.80, 37.82 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HD21 ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.2-4.0 3.5=100 HD21 ASN 121 + HB3 ASN 120 OK 24 100 30 82 5.0-7.8 7706/4.4=53...(6) HD21 ASN 121 - HB2 ASN 120 poor 20 100 20 - 4.3-6.9 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 10 assignments used, quality = 1.00: * HD22 ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.7-3.8 3.5=100 H VAL 118 + HB3 ASN 120 OK 47 70 70 97 4.7-7.3 3.6/11968=57...(14) H VAL 118 - HB2 ASN 120 far 10 70 15 - 4.8-7.7 HD22 ASN 121 - HB3 ASN 120 far 10 100 10 - 5.1-8.8 HD22 ASN 121 - HB2 ASN 120 far 5 100 5 - 4.1-7.6 H VAL 118 - HB2 ASN 121 far 4 71 5 - 4.3-7.6 H GLU 55 - HB3 ASN 120 far 0 62 0 - 8.7-11.5 H GLU 55 - HB2 ASN 120 far 0 62 0 - 9.4-11.9 HD22 ASN 59 - HB3 ASN 120 far 0 91 0 - 9.7-14.0 HD22 ASN 59 - HB2 ASN 121 far 0 92 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (8.18, 2.80, 37.82 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 122 + HB2 ASN 121 OK 100 100 100 100 2.6-3.7 4.3=100 H LEU 122 + HB2 ASN 120 OK 100 100 100 100 5.3-6.0 3.6/11626=100...(9) H LEU 122 + HB3 ASN 120 OK 100 100 100 100 5.4-6.5 7675/3.8=92, 7721/3.0=75...(11) H GLN 127 - HB2 ASN 121 far 0 93 0 - 8.5-9.8 H GLN 127 - HB2 ASN 120 far 0 92 0 - 9.2-11.3 H GLN 127 - HB3 ASN 120 far 0 92 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3847 from cnoeabs.peaks (3.81, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HB3 ASN 121 OK 100 100 100 100 1.9-3.2 3735=100, 3839/1.8=100...(31) 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 2.1-3.1 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 2.9-3.0 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 - 4.9-7.2 HB2 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.0-6.4 Violated in 0 structures by 0.00 A. Peak 3851 from cnoeabs.peaks (2.98, 2.98, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HB3 ASN 121 OK 100 100 - 100 Peak 3852 from cnoeabs.peaks (6.88, 2.98, 37.82 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.3-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (7.78, 2.98, 37.82 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.1-3.8 3.5=100 H VAL 118 + HB3 ASN 121 OK 56 71 80 100 4.3-5.9 2.8/3735=70, ~3734=46...(18) HD22 ASN 59 - HB3 ASN 121 far 0 92 0 - 8.8-12.0 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 2.2-2.7 4.3=100 H GLN 127 - HB3 ASN 121 far 0 93 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 3855 from cnoeabs.peaks (8.18, 4.05, 58.49 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 122 + HA LEU 122 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 122 + HA LEU 96 OK 46 89 55 93 4.7-6.1 11749/11689=23...(34) H GLN 127 - HA LEU 122 far 0 93 0 - 5.6-6.5 H GLN 127 - HA LEU 96 far 0 79 0 - 6.8-7.9 H LEU 122 - HA GLU 102 far 0 99 0 - 9.5-11.6 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 11 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 122 + HA LEU 122 OK 100 100 100 100 2.1-4.3 4.3=100 HB2 LEU 122 + HA LEU 96 OK 80 89 90 99 3.2-5.7 1.8/3858=30...(45) HG LEU 122 + HA LEU 96 OK 67 88 80 94 3.1-5.9 3885=26, 2.1/3901=26...(22) HG LEU 70 - HA LEU 96 far 0 89 0 - 7.2-8.7 HG LEU 70 - HA LEU 122 far 0 100 0 - 8.3-10.5 HG LEU 119 - HA LEU 122 far 0 95 0 - 8.5-10.3 HB2 LEU 122 - HA GLU 102 far 0 99 0 - 8.8-12.2 HG LEU 122 - HA GLU 102 far 0 98 0 - 8.9-10.8 HG LEU 119 - HA GLU 102 far 0 92 0 - 9.2-13.9 HG LEU 70 - HA GLU 102 far 0 99 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (1.79, 4.05, 58.49 ppm; 3.96 A): 2 out of 19 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 122 + HA LEU 96 OK 47 89 55 95 3.1-6.4 11678/11689=18...(48) HG LEU 100 - HA LEU 122 poor 18 89 20 - 4.4-6.9 HB2 LEU 100 - HA LEU 122 poor 16 63 25 - 4.5-8.1 HB2 LEU 100 - HA LEU 96 poor 15 50 30 - 4.2-7.4 HB3 LEU 98 - HA LEU 96 far 13 85 15 - 4.6-6.8 HG LEU 100 - HA LEU 96 far 7 74 10 - 4.5-7.1 HB2 LEU 48 - HA GLU 44 far 3 52 5 - 4.7-7.3 HB3 LEU 103 - HA GLU 102 far 0 99 0 - 5.5-6.6 HB3 LEU 123 - HA LEU 122 far 0 39 0 - 5.6-6.2 HB3 LEU 98 - HA LEU 122 far 0 98 0 - 5.7-9.2 HB3 LEU 98 - HA GLU 102 far 0 96 0 - 6.4-9.1 HB3 LEU 103 - HA LEU 122 far 0 100 0 - 7.2-10.1 HB2 LEU 100 - HA GLU 102 far 0 60 0 - 7.2-8.7 HB3 LEU 103 - HA LEU 96 far 0 89 0 - 7.4-11.0 HB3 LEU 123 - HA LEU 96 far 0 31 0 - 7.7-9.4 HB3 LEU 122 - HA GLU 102 far 0 99 0 - 8.3-12.4 HG LEU 100 - HA GLU 102 far 0 86 0 - 8.6-9.8 HB3 LYS 24 - HA GLU 44 far 0 43 0 - 9.6-34.7 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 14 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 100 100 100 100 2.1-4.3 4.3=100 HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 122 + HA LEU 96 OK 79 88 90 99 3.2-5.7 1.8/3858=30...(45) HG LEU 122 + HA LEU 96 OK 67 89 80 95 3.1-5.9 3885=26, 2.1/3901=26...(22) HB2 LEU 103 - HA GLU 102 poor 13 63 20 - 5.5-6.1 HB2 LEU 103 - HA LEU 122 far 0 65 0 - 6.6-8.7 HG LEU 70 - HA LEU 96 far 0 87 0 - 7.2-8.7 HB2 LEU 103 - HA LEU 96 far 0 52 0 - 7.9-9.5 HG LEU 70 - HA LEU 122 far 0 99 0 - 8.3-10.5 HG LEU 119 - HA LEU 122 far 0 89 0 - 8.5-10.3 HB2 LEU 122 - HA GLU 102 far 0 98 0 - 8.8-12.2 HG LEU 122 - HA GLU 102 far 0 99 0 - 8.9-10.8 HG LEU 119 - HA GLU 102 far 0 86 0 - 9.2-13.9 HG LEU 70 - HA GLU 102 far 0 97 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 3860 from cnoeabs.peaks (0.81, 4.05, 58.49 ppm; 3.55 A): 3 out of 28 assignments used, quality = 1.00: * QD1 LEU 122 + HA LEU 122 OK 99 100 100 99 2.5-4.0 3.8=79, 3899/3.6=38...(23) QD2 LEU 122 + HA LEU 122 OK 81 83 100 98 1.8-4.1 3.9=73, 2.1/3893=41...(27) QD2 LEU 122 + HA LEU 96 OK 37 68 65 83 2.2-5.2 3901=19, 3.1/3858=15...(22) QD1 LEU 122 - HA LEU 96 poor 18 89 20 - 3.3-5.6 QD2 LEU 49 - HA LEU 122 far 10 97 10 - 3.9-7.4 QD1 LEU 53 - HA LEU 122 far 9 95 10 - 4.1-8.5 QD1 LEU 103 - HA GLU 102 far 0 68 0 - 4.6-6.7 QD2 LEU 49 - HA LEU 96 far 0 84 0 - 5.6-8.0 QD1 LEU 103 - HA LEU 122 far 0 71 0 - 6.0-8.9 QD1 LEU 70 - HA LEU 96 far 0 82 0 - 6.4-7.5 QD2 LEU 122 - HA GLU 102 far 0 80 0 - 6.5-10.6 QD1 LEU 122 - HA GLU 102 far 0 99 0 - 6.6-10.1 QD1 LEU 53 - HA LEU 96 far 0 80 0 - 6.7-10.8 QD2 LEU 119 - HA LEU 122 far 0 99 0 - 6.9-8.9 QG1 VAL 63 - HA GLU 102 far 0 70 0 - 7.0-7.9 QG2 ILE 129 - HA LEU 96 far 0 77 0 - 7.0-8.6 QD1 LEU 103 - HA LEU 96 far 0 57 0 - 7.2-9.8 QD2 LEU 49 - HA GLU 44 far 0 55 0 - 7.3-9.6 QD1 LEU 70 - HA LEU 122 far 0 96 0 - 7.4-9.3 QG1 VAL 133 - HA GLU 44 far 0 28 0 - 7.8-9.3 QD2 LEU 119 - HA GLU 102 far 0 98 0 - 8.0-12.1 QG2 ILE 129 - HA LEU 122 far 0 92 0 - 8.1-9.3 QD1 LEU 70 - HA GLU 102 far 0 93 0 - 8.1-11.6 QD2 LEU 119 - HA LEU 96 far 0 87 0 - 8.6-11.0 QG2 ILE 129 - HA GLU 44 far 0 50 0 - 8.7-9.7 QG1 VAL 63 - HA LEU 96 far 0 59 0 - 8.8-10.8 QG1 VAL 63 - HA LEU 122 far 0 73 0 - 8.8-10.4 QD1 LEU 53 - HA GLU 44 far 0 52 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3861 from cnoeabs.peaks (0.79, 4.05, 58.49 ppm; 3.42 A): 5 out of 24 assignments used, quality = 1.00: * QD2 LEU 122 + HA LEU 122 OK 97 100 100 97 1.8-4.1 3.9=65, 2.1/3893=38...(29) QD1 LEU 122 + HA LEU 122 OK 80 83 100 96 2.5-4.0 3.8=71, 2.1/3901=33...(23) QD1 LEU 96 + HA LEU 96 OK 76 77 100 98 2.7-3.4 4.0=65, 2.1/3092=60...(26) QD1 LEU 96 + HA LEU 122 OK 70 92 90 85 2.8-4.5 3100=30, 9987/3994=16...(22) QD2 LEU 122 + HA LEU 96 OK 46 89 60 85 2.2-5.2 3901=23, 10337/3.0=15...(23) QD1 LEU 122 - HA LEU 96 poor 14 68 20 - 3.3-5.6 QD2 LEU 49 - HA LEU 122 far 10 97 10 - 3.9-7.4 QD1 LEU 53 - HA LEU 122 far 5 99 5 - 4.1-8.5 QD1 LEU 103 - HA GLU 102 far 0 98 0 - 4.6-6.7 QD2 LEU 49 - HA LEU 96 far 0 84 0 - 5.6-8.0 QD1 LEU 103 - HA LEU 122 far 0 100 0 - 6.0-8.9 QD2 LEU 122 - HA GLU 102 far 0 99 0 - 6.5-10.6 QD1 LEU 122 - HA GLU 102 far 0 80 0 - 6.6-10.1 QD1 LEU 53 - HA LEU 96 far 0 87 0 - 6.7-10.8 QD2 LEU 119 - HA LEU 122 far 0 93 0 - 6.9-8.9 QG1 VAL 63 - HA GLU 102 far 0 98 0 - 7.0-7.9 QD1 LEU 103 - HA LEU 96 far 0 88 0 - 7.2-9.8 QD2 LEU 49 - HA GLU 44 far 0 55 0 - 7.3-9.6 QD2 LEU 119 - HA GLU 102 far 0 90 0 - 8.0-12.1 QD2 LEU 119 - HA LEU 96 far 0 79 0 - 8.6-11.0 QG1 VAL 63 - HA LEU 96 far 0 88 0 - 8.8-10.8 QG1 VAL 63 - HA LEU 122 far 0 100 0 - 8.8-10.4 QD1 LEU 96 - HA GLU 102 far 0 89 0 - 8.9-10.5 QD1 LEU 53 - HA GLU 44 far 0 58 0 - 9.7-12.8 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 8 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 poor 18 92 20 - 4.8-6.1 H SER 107 - HA GLU 102 far 7 68 10 - 4.1-6.7 H LEU 43 - HA GLU 44 far 0 31 0 - 5.2-5.5 H LEU 123 - HA LEU 96 far 0 89 0 - 5.6-7.0 H GLU 40 - HA GLU 44 far 0 42 0 - 7.8-8.5 H ASP 131 - HA GLU 44 far 0 54 0 - 9.8-11.5 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 7 assignments used, quality = 1.00: * H CYS 125 + HA LEU 122 OK 100 100 100 100 3.1-3.8 7776/3.6=52, 7775=39...(21) H CYS 125 + HA LEU 96 OK 77 89 90 96 4.4-5.7 11603/11689=52, 7775=29...(18) H LEU 48 + HA GLU 44 OK 60 60 100 100 4.0-4.7 6575=98, 6581/1471=62...(7) H SER 130 - HA GLU 44 far 0 57 0 - 8.8-10.1 H SER 130 - HA LEU 122 far 0 99 0 - 9.7-10.9 H ALA 52 - HA LEU 122 far 0 92 0 - 9.8-13.0 H SER 130 - HA LEU 96 far 0 86 0 - 9.8-10.7 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 100 100 100 100 2.2-4.2 11595/3.0=57...(20) HB2 CYS 125 + HA LEU 96 OK 89 89 100 100 2.4-3.6 11655/3.0=65...(28) HB2 ASP 47 + HA GLU 44 OK 43 43 100 100 3.1-4.8 1.8/1477=94, 1471=75...(6) HB2 CYS 73 - HA LEU 96 far 0 82 0 - 9.0-10.9 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 3 assignments used, quality = 1.00: * HB3 CYS 125 + HA LEU 122 OK 100 100 100 100 1.9-3.9 11656/3.0=70, 3994=52...(22) HB3 CYS 125 + HA LEU 96 OK 89 89 100 100 2.1-3.4 9987/4.0=63...(27) HB2 HIS 5 - HA LEU 96 far 0 52 0 - 8.5-64.9 Violated in 0 structures by 0.00 A. Peak 3866 from cnoeabs.peaks (4.03, 1.61, 41.93 ppm; 4.73 A): 4 out of 10 assignments used, quality = 1.00: HA LEU 96 + HB2 LEU 122 OK 85 90 95 99 3.2-5.7 3901/3.1=21...(45) * HA LEU 119 + HB2 LEU 122 OK 75 100 75 99 3.5-6.2 3764/1.8=90, 3762/3.5=54...(21) HA LEU 122 + HB2 LEU 122 OK 73 73 100 100 2.3-3.0 3.0=100 HB3 SER 99 + HB2 LEU 122 OK 66 83 80 100 2.0-6.5 11476/3.1=39...(26) HA SER 50 - HB2 LEU 122 far 0 60 0 - 6.2-10.6 HA LEU 103 - HB2 LEU 122 far 0 98 0 - 6.8-10.5 HB3 SER 124 - HB2 LEU 122 far 0 100 0 - 6.9-8.8 HA LYS 95 - HB2 LEU 122 far 0 99 0 - 7.7-10.3 HA ALA 92 - HB2 LEU 122 far 0 78 0 - 8.7-12.1 HA GLU 102 - HB2 LEU 122 far 0 71 0 - 8.8-12.2 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 2.3-3.6 3.5=100 H GLN 127 - HB2 LEU 122 far 0 93 0 - 6.2-7.9 H VAL 63 - HB2 LEU 122 far 0 87 0 - 7.8-9.8 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 7 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 96 + HB2 LEU 122 OK 98 99 100 100 3.2-5.7 3858/1.8=32...(45) HA LEU 119 + HB2 LEU 122 OK 72 73 100 98 3.5-6.2 3764/1.8=61, 3762/3.5=43...(21) HB THR 65 - HB2 LEU 122 far 0 90 0 - 6.3-9.4 HB3 SER 124 - HB2 LEU 122 far 0 83 0 - 6.9-8.8 HA ALA 92 - HB2 LEU 122 far 0 100 0 - 8.7-12.1 HA GLU 102 - HB2 LEU 122 far 0 100 0 - 8.8-12.2 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 13 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 59 89 70 95 2.5-6.4 3887/3.0=22, 3903/3.1=22...(38) HB2 LEU 100 - HB2 LEU 122 far 9 63 15 - 2.8-6.9 HB3 LYS 31 - HB3 LEU 22 far 3 57 5 - 4.3-22.5 HB3 LEU 123 - HB2 LEU 122 far 2 39 5 - 4.1-6.1 HB3 LEU 103 - HB2 LEU 122 far 0 100 0 - 5.3-9.0 HB3 LYS 24 - HB3 LEU 22 far 0 53 0 - 5.4-8.2 HB3 ARG 23 - HB3 LEU 22 far 0 37 0 - 6.0-7.9 HB3 LEU 98 - HB2 LEU 122 far 0 98 0 - 6.4-11.4 HB3 LYS 19 - HB3 LEU 22 far 0 57 0 - 7.3-9.4 HB ILE 32 - HB3 LEU 22 far 0 46 0 - 7.7-22.7 HB2 LEU 48 - HB2 LEU 122 far 0 95 0 - 8.7-13.7 HB3 LYS 26 - HB3 LEU 22 far 0 44 0 - 9.6-14.2 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 9 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 41 95 65 67 2.0-8.5 3907/4.3=18, ~11749=14...(18) QD2 LEU 49 + HB2 LEU 122 OK 29 97 80 37 2.1-6.0 11681/11677=13...(10) QD2 LEU 119 - HB2 LEU 122 far 15 99 15 - 4.6-8.2 QD1 LEU 103 - HB2 LEU 122 poor 14 71 20 - 3.9-7.5 QD1 LEU 70 - HB2 LEU 122 far 0 96 0 - 5.8-9.8 QG1 VAL 63 - HB2 LEU 122 far 0 73 0 - 7.2-8.8 QG2 ILE 129 - HB2 LEU 122 far 0 92 0 - 8.1-10.7 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 9 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 96 + HB2 LEU 122 OK 91 92 100 99 1.9-5.4 9986/11595=31...(42) QD1 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 53 99 70 77 2.0-8.5 3907/4.3=28, ~11749=16...(19) QD2 LEU 49 + HB2 LEU 122 OK 35 97 90 40 2.1-6.0 11681/11677=13...(11) QD1 LEU 103 - HB2 LEU 122 poor 20 100 20 - 3.9-7.5 QD2 LEU 119 - HB2 LEU 122 far 14 93 15 - 4.6-8.2 QD1 ILE 32 - HB3 LEU 22 far 3 68 5 - 4.6-17.6 QG1 VAL 63 - HB2 LEU 122 far 0 100 0 - 7.2-8.8 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 7 assignments used, quality = 1.00: * H LEU 123 + HB2 LEU 122 OK 100 100 100 100 2.3-4.2 4.3=100 H ARG 23 + HB3 LEU 22 OK 63 63 100 100 4.1-4.6 4.6=98, 6197/1.8=87...(15) H LEU 96 - HB2 LEU 122 far 0 92 0 - 5.6-8.5 H LYS 31 - HB3 LEU 22 far 0 42 0 - 6.4-20.6 H SER 33 - HB3 LEU 22 far 0 40 0 - 7.3-24.1 H GLU 30 - HB3 LEU 22 far 0 72 0 - 8.0-19.6 H ALA 29 - HB3 LEU 22 far 0 66 0 - 9.1-19.3 Violated in 0 structures by 0.00 A. Peak 3875 from cnoeabs.peaks (4.03, 1.79, 41.93 ppm; 4.48 A): 7 out of 26 assignments used, quality = 1.00: HA LEU 103 + HB3 LEU 103 OK 98 98 100 100 2.3-3.0 3.0=100 * HA LEU 119 + HB3 LEU 122 OK 90 100 90 100 3.0-5.7 3764=100, 3762/3.5=48...(21) HA LYS 95 + HB3 LEU 98 OK 84 84 100 100 2.9-4.4 2963=96, 3158/1.8=91...(21) HB3 SER 99 + HB3 LEU 122 OK 74 83 90 100 1.9-6.4 11476/3.1=36, ~11479=31...(27) HA LEU 122 + HB3 LEU 122 OK 73 73 100 100 2.3-3.0 3.0=100 HA LEU 96 + HB3 LEU 122 OK 53 90 60 98 3.1-6.4 3868/1.8=25, 3901/3.1=20...(49) HA LEU 96 + HB3 LEU 98 OK 34 72 50 95 4.6-6.8 4.9/2963=45, 3.6/9998=25...(23) HB3 SER 99 - HB3 LEU 98 poor 19 65 30 - 3.7-6.8 HA GLU 44 - HB2 LEU 48 poor 14 39 35 - 4.7-7.3 HA LEU 119 - HB3 LEU 103 far 5 100 5 - 5.3-8.2 HB3 SER 99 - HB3 LEU 103 far 4 82 5 - 4.6-7.5 HA GLU 102 - HB3 LEU 103 far 0 70 0 - 5.5-6.6 HA LEU 122 - HB3 LEU 98 far 0 56 0 - 5.7-9.2 HA SER 60 - HB3 LEU 103 far 0 90 0 - 5.9-9.2 HA GLU 102 - HB3 LEU 98 far 0 54 0 - 6.4-9.1 HA SER 50 - HB3 LEU 122 far 0 60 0 - 6.5-10.9 HA LEU 103 - HB3 LEU 122 far 0 98 0 - 6.5-9.7 HA LYS 95 - HB3 LEU 122 far 0 99 0 - 7.0-11.0 HB3 SER 124 - HB3 LEU 122 far 0 100 0 - 7.1-8.4 HA SER 50 - HB2 LEU 48 far 0 30 0 - 7.2-8.5 HA LEU 122 - HB3 LEU 103 far 0 73 0 - 7.2-10.1 HA LEU 96 - HB3 LEU 103 far 0 90 0 - 7.4-11.0 HA GLU 102 - HB3 LEU 122 far 0 71 0 - 8.3-12.4 HA ALA 92 - HB3 LEU 98 far 0 60 0 - 8.3-10.0 HA ALA 92 - HB3 LEU 122 far 0 78 0 - 8.8-12.1 HA LEU 103 - HB3 LEU 98 far 0 81 0 - 9.2-11.4 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 2.1-2.8 3.5=100 H VAL 63 - HB3 LEU 103 far 4 86 5 - 5.1-7.4 H LEU 122 - HB3 LEU 98 far 0 86 0 - 6.6-10.4 H LEU 122 - HB3 LEU 103 far 0 100 0 - 6.7-9.0 H GLN 127 - HB3 LEU 122 far 0 93 0 - 6.8-8.2 H VAL 63 - HB3 LEU 122 far 0 87 0 - 7.7-9.7 H VAL 63 - HB2 LEU 48 far 0 47 0 - 8.9-13.2 H GLN 127 - HB2 LEU 48 far 0 52 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3877 from cnoeabs.peaks (4.05, 1.79, 41.93 ppm; 4.47 A): 5 out of 18 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 119 + HB3 LEU 122 OK 63 73 90 95 3.0-5.7 3764=62, 3762/3.5=30...(21) HA LEU 96 + HB3 LEU 122 OK 58 99 60 99 3.1-6.4 3858=32, 3901/3.1=21...(49) HA LEU 96 + HB3 LEU 98 OK 39 82 50 94 4.6-6.8 4.9/2963=45, 3.6/9998=25...(23) HB THR 65 + HB2 LEU 48 OK 22 49 45 100 4.2-8.0 2.1/10991=61, ~9441=45...(33) HA GLU 44 - HB2 LEU 48 poor 15 61 35 72 4.7-7.3 6575/3.9=53, 4.8/1437=40 HA LEU 119 - HB3 LEU 103 far 4 73 5 - 5.3-8.2 HA GLU 102 - HB3 LEU 103 far 0 100 0 - 5.5-6.6 HA LEU 122 - HB3 LEU 98 far 0 86 0 - 5.7-9.2 HA GLU 102 - HB3 LEU 98 far 0 86 0 - 6.4-9.1 HB THR 65 - HB3 LEU 122 far 0 90 0 - 6.7-9.9 HB3 SER 124 - HB3 LEU 122 far 0 83 0 - 7.1-8.4 HA LEU 122 - HB3 LEU 103 far 0 100 0 - 7.2-10.1 HA LEU 96 - HB3 LEU 103 far 0 98 0 - 7.4-11.0 HA GLU 102 - HB3 LEU 122 far 0 100 0 - 8.3-12.4 HB THR 65 - HB3 LEU 103 far 0 90 0 - 8.3-11.6 HA ALA 92 - HB3 LEU 98 far 0 85 0 - 8.3-10.0 HA ALA 92 - HB3 LEU 122 far 0 100 0 - 8.8-12.1 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 119 - HB3 LEU 103 far 5 94 5 - 3.9-10.0 HG LEU 122 - HB3 LEU 103 far 0 100 0 - 4.5-7.9 HB2 LEU 122 - HB3 LEU 103 far 0 100 0 - 5.3-9.0 HG LEU 119 - HB3 LEU 122 far 0 95 0 - 5.7-9.1 HB2 LEU 122 - HB3 LEU 98 far 0 86 0 - 6.4-11.4 HG LEU 122 - HB3 LEU 98 far 0 85 0 - 6.5-10.1 HG LEU 70 - HB3 LEU 122 far 0 100 0 - 7.9-11.3 HG LEU 70 - HB3 LEU 98 far 0 85 0 - 8.0-11.2 HB2 LEU 122 - HB2 LEU 48 far 0 61 0 - 8.7-13.7 HG LEU 70 - HB3 LEU 103 far 0 100 0 - 8.7-13.6 HG LEU 122 - HB2 LEU 48 far 0 60 0 - 9.9-15.4 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 5 100 5 - 4.5-7.9 HG LEU 119 - HB3 LEU 103 far 4 88 5 - 3.9-10.0 HB2 LEU 103 - HB3 LEU 122 far 3 65 5 - 4.3-7.4 HB2 LEU 122 - HB3 LEU 103 far 0 100 0 - 5.3-9.0 HG LEU 119 - HB3 LEU 122 far 0 89 0 - 5.7-9.1 HB2 LEU 122 - HB3 LEU 98 far 0 85 0 - 6.4-11.4 HG LEU 122 - HB3 LEU 98 far 0 86 0 - 6.5-10.1 HG LEU 70 - HB3 LEU 122 far 0 99 0 - 7.9-11.3 HG LEU 70 - HB3 LEU 98 far 0 83 0 - 8.0-11.2 HB2 LEU 103 - HB3 LEU 98 far 0 50 0 - 8.3-10.2 HB2 LEU 122 - HB2 LEU 48 far 0 60 0 - 8.7-13.7 HG LEU 70 - HB3 LEU 103 far 0 99 0 - 8.7-13.6 HG LEU 122 - HB2 LEU 48 far 0 61 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 3881 from cnoeabs.peaks (0.81, 1.79, 41.93 ppm; 4.10 A): 7 out of 31 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 70 70 100 100 2.1-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 58 73 80 99 3.3-6.9 10972/1.8=38...(32) QD1 LEU 53 + HB3 LEU 122 OK 29 95 45 68 2.9-9.2 3907/4.3=18, ~11749=13...(17) QD2 LEU 122 + HB3 LEU 103 OK 25 82 45 68 3.4-7.1 3376/1.8=15, 7476/7474=8...(26) QD1 LEU 122 + HB3 LEU 103 OK 23 100 35 65 3.4-7.1 ~3376=14, ~3376=13...(24) QD2 LEU 119 - HB3 LEU 103 poor 20 99 20 - 4.0-8.3 QD2 LEU 49 - HB2 LEU 48 poor 20 56 35 - 3.9-7.1 QD1 LEU 103 - HB3 LEU 122 poor 17 71 40 60 3.9-7.0 10265/11609=8...(21) QD2 LEU 49 - HB3 LEU 122 poor 15 97 45 35 2.6-6.8 11681/11678=11...(10) QD2 LEU 119 - HB3 LEU 122 far 10 99 10 - 4.4-7.9 QD2 LEU 122 - HB3 LEU 98 far 0 65 0 - 5.0-7.8 QD1 LEU 122 - HB3 LEU 98 far 0 86 0 - 5.7-9.3 QD1 LEU 53 - HB2 LEU 48 far 0 53 0 - 6.2-10.2 QD2 LEU 49 - HB3 LEU 103 far 0 97 0 - 6.4-10.6 QD1 LEU 70 - HB3 LEU 122 far 0 96 0 - 6.5-10.4 QD1 LEU 70 - HB3 LEU 103 far 0 95 0 - 6.6-10.7 QD1 LEU 70 - HB3 LEU 98 far 0 78 0 - 6.9-8.8 QD1 LEU 122 - HB2 LEU 48 far 0 61 0 - 6.9-11.7 QG1 VAL 63 - HB3 LEU 122 far 0 73 0 - 7.1-8.8 QD2 LEU 122 - HB2 LEU 48 far 0 44 0 - 7.3-13.0 QD1 LEU 53 - HB3 LEU 103 far 0 94 0 - 7.4-12.6 QD1 LEU 103 - HB3 LEU 98 far 0 54 0 - 7.4-10.1 QG2 ILE 129 - HB3 LEU 122 far 0 92 0 - 9.2-10.9 QG1 VAL 63 - HB3 LEU 98 far 0 56 0 - 9.3-12.1 QD2 LEU 49 - HB3 LEU 98 far 0 80 0 - 9.3-12.1 QD2 LEU 119 - HB2 LEU 48 far 0 59 0 - 9.4-13.7 QG1 VAL 63 - HB2 LEU 48 far 0 37 0 - 9.6-12.9 QD1 LEU 53 - HB3 LEU 98 far 0 77 0 - 9.7-14.5 QG2 ILE 129 - HB2 LEU 48 far 0 51 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (0.79, 1.79, 41.93 ppm; 3.94 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 99 99 100 100 2.1-3.2 3.2=100 QD1 LEU 122 + HB3 LEU 122 OK 83 83 100 100 1.9-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 80 92 90 96 2.8-5.5 9986/11653=28...(45) QG1 VAL 63 + HB3 LEU 103 OK 74 100 75 100 3.3-6.9 10972/1.8=55...(35) QD2 LEU 122 + HB3 LEU 103 OK 30 100 40 75 3.4-7.1 3376/1.8=20...(26) QD1 LEU 53 + HB3 LEU 122 OK 27 99 40 68 2.9-9.2 3907/4.3=22, ~11749=12...(17) QD1 LEU 103 + HB3 LEU 122 OK 22 100 35 63 3.9-7.0 10265/11609=11...(21) QD1 LEU 122 - HB3 LEU 103 poor 18 82 35 64 3.4-7.1 ~3376=13, ~3376=13...(22) QD2 LEU 49 - HB2 LEU 48 poor 14 56 25 - 3.9-7.1 QD2 LEU 49 - HB3 LEU 122 poor 14 97 45 31 2.6-6.8 11681/11678=9...(10) QD2 LEU 119 - HB3 LEU 122 far 9 93 10 - 4.4-7.9 QD2 LEU 119 - HB3 LEU 103 far 5 93 5 - 4.0-8.3 QD2 LEU 122 - HB3 LEU 98 far 0 86 0 - 5.0-7.8 QD1 LEU 122 - HB3 LEU 98 far 0 65 0 - 5.7-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 74 0 - 6.1-8.1 QD1 LEU 53 - HB2 LEU 48 far 0 58 0 - 6.2-10.2 QD2 LEU 49 - HB3 LEU 103 far 0 97 0 - 6.4-10.6 QD1 LEU 96 - HB3 LEU 103 far 0 91 0 - 6.6-9.3 QD1 LEU 122 - HB2 LEU 48 far 0 44 0 - 6.9-11.7 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 7.1-8.8 QD2 LEU 122 - HB2 LEU 48 far 0 61 0 - 7.3-13.0 QD1 LEU 53 - HB3 LEU 103 far 0 99 0 - 7.4-12.6 QD1 LEU 103 - HB3 LEU 98 far 0 84 0 - 7.4-10.1 QD1 LEU 96 - HB2 LEU 48 far 0 51 0 - 7.7-10.9 QD1 ILE 32 - HB2 LEU 48 far 0 56 0 - 9.3-21.8 QG1 VAL 63 - HB3 LEU 98 far 0 85 0 - 9.3-12.1 QD2 LEU 49 - HB3 LEU 98 far 0 80 0 - 9.3-12.1 QD2 LEU 119 - HB2 LEU 48 far 0 52 0 - 9.4-13.7 QG1 VAL 63 - HB2 LEU 48 far 0 60 0 - 9.6-12.9 QD1 LEU 53 - HB3 LEU 98 far 0 83 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 3883 from cnoeabs.peaks (8.26, 1.79, 41.93 ppm; 4.60 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 123 + HB3 LEU 122 OK 100 100 100 100 2.6-4.1 4.3=100 H SER 107 - HB3 LEU 103 poor 15 70 40 54 4.9-6.2 4.6/3387=16...(11) H LEU 96 - HB3 LEU 98 far 11 74 15 - 5.2-7.0 H LEU 96 - HB3 LEU 122 far 0 92 0 - 5.8-8.9 H LEU 123 - HB3 LEU 103 far 0 100 0 - 8.4-11.0 H LEU 123 - HB3 LEU 98 far 0 86 0 - 8.7-12.6 H LEU 43 - HB2 LEU 48 far 0 31 0 - 8.8-10.6 H LEU 96 - HB3 LEU 103 far 0 91 0 - 9.9-13.6 H LEU 123 - HB2 LEU 48 far 0 61 0 - 10.0-14.2 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 6 assignments used, quality = 1.00: * H LEU 122 + HG LEU 122 OK 100 100 100 100 1.8-4.6 4.6=100 H LEU 122 - HG LEU 119 far 7 70 10 - 6.2-7.9 H GLN 127 - HG LEU 122 far 0 93 0 - 6.7-9.0 H VAL 63 - HG LEU 122 far 0 87 0 - 6.9-9.5 H VAL 63 - HG LEU 119 far 0 54 0 - 7.4-10.4 H VAL 63 - HG LEU 70 far 0 81 0 - 9.8-12.1 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 17 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-4.3 4.3=100 HA LEU 96 + HG LEU 122 OK 74 99 80 94 3.1-5.9 3901/2.1=26, 3858/3.0=25...(23) HA LEU 119 + HG LEU 122 OK 60 73 85 96 2.7-6.5 3764/3.0=46, 3893/2.1=32...(20) HA LEU 119 + HG LEU 119 OK 44 44 100 100 2.3-4.3 3.7=100 HB2 SER 74 - HG LEU 70 poor 4 81 25 21 4.9-7.6 2282/11117=11...(4) HB3 SER 74 - HG LEU 70 far 0 79 0 - 5.8-8.4 HB THR 65 - HG LEU 122 far 0 90 0 - 6.5-9.5 HB3 SER 124 - HG LEU 122 far 0 83 0 - 7.0-10.0 HA LEU 96 - HG LEU 70 far 0 94 0 - 7.2-8.7 HA LEU 122 - HG LEU 70 far 0 97 0 - 8.3-10.5 HB THR 65 - HG LEU 70 far 0 85 0 - 8.4-11.8 HA LEU 122 - HG LEU 119 far 0 70 0 - 8.5-10.3 HA GLU 102 - HG LEU 122 far 0 100 0 - 8.9-10.8 HA ALA 92 - HG LEU 122 far 0 100 0 - 9.1-12.2 HA GLU 102 - HG LEU 119 far 0 69 0 - 9.2-13.9 HB THR 65 - HG LEU 119 far 0 57 0 - 9.2-11.6 HA GLU 102 - HG LEU 70 far 0 97 0 - 9.8-13.6 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 24 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 64 89 75 97 1.9-6.2 3903/2.1=27, 3895/2.1=26...(34) HB2 LEU 100 - HG LEU 122 poor 19 63 30 - 2.7-7.4 HB3 LEU 123 - HG LEU 122 poor 12 39 30 - 4.0-7.1 HB2 LEU 100 - HG LEU 70 far 6 58 10 - 4.2-6.7 HG LEU 100 - HG LEU 70 far 4 83 5 - 4.3-7.6 HB3 LEU 103 - HG LEU 119 far 3 69 5 - 3.9-10.0 HB3 LEU 103 - HG LEU 122 far 0 100 0 - 4.5-7.9 HB3 LYS 24 - HG LEU 22 far 0 53 0 - 4.9-8.8 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 70 0 - 5.7-9.1 HB3 ARG 23 - HG LEU 22 far 0 37 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 22 0 - 6.5-8.9 HB3 LEU 98 - HG LEU 122 far 0 98 0 - 6.5-10.1 HB3 LYS 19 - HG LEU 22 far 0 57 0 - 6.9-11.6 HG LEU 100 - HG LEU 119 far 0 55 0 - 6.9-12.0 HB3 LYS 26 - HG LEU 22 far 0 44 0 - 7.8-15.3 HB3 LEU 122 - HG LEU 70 far 0 97 0 - 7.9-11.3 HB3 LEU 98 - HG LEU 70 far 0 94 0 - 8.0-11.2 HB2 LEU 100 - HG LEU 119 far 0 36 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 46 0 - 8.5-24.0 HB3 LEU 103 - HG LEU 70 far 0 97 0 - 8.7-13.6 HB3 LYS 24 - HG LEU 70 far 0 77 0 - 9.4-36.0 HB2 LEU 48 - HG LEU 122 far 0 95 0 - 9.9-15.4 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): 4 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 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 poor 15 42 35 - 1.9-7.3 QD2 LEU 49 - HG LEU 122 far 5 97 5 - 3.6-6.4 QD1 LEU 53 - HG LEU 122 far 5 95 5 - 3.3-8.9 QD1 LEU 103 - HG LEU 122 far 4 71 5 - 3.3-6.8 QD2 LEU 122 - HG LEU 119 far 0 51 0 - 3.8-8.6 QD1 LEU 122 - HG LEU 119 far 0 70 0 - 4.4-7.9 QD2 LEU 119 - HG LEU 122 far 0 99 0 - 4.6-8.5 QD2 LEU 122 - HG LEU 70 far 0 77 0 - 4.7-8.4 QD1 LEU 122 - HG LEU 70 far 0 97 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 61 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 93 0 - 5.5-9.0 QG1 VAL 63 - HG LEU 122 far 0 73 0 - 6.0-9.0 QD1 LEU 70 - HG LEU 122 far 0 96 0 - 6.2-9.8 QG1 VAL 63 - HG LEU 70 far 0 68 0 - 6.2-7.9 QG2 ILE 129 - HG LEU 70 far 0 86 0 - 6.9-9.2 QD2 LEU 49 - HG LEU 119 far 0 64 0 - 7.3-10.3 QD1 LEU 103 - HG LEU 70 far 0 65 0 - 7.9-11.0 QG2 ILE 129 - HG LEU 122 far 0 92 0 - 8.1-11.6 QG1 VAL 63 - HG LEU 119 far 0 44 0 - 8.3-10.9 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 8.5-15.1 QD1 ILE 37 - HG LEU 70 far 0 58 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 3890 from cnoeabs.peaks (0.79, 1.60, 27.00 ppm; 3.71 A): 7 out of 26 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 70 OK 58 86 70 96 3.8-5.2 2.1/11105=41, ~9488=31...(17) QD1 LEU 96 + HG LEU 122 OK 54 92 80 74 2.2-5.3 3100/4.3=15, 3873/3.0=12...(20) QD1 LEU 103 + HG LEU 119 OK 37 68 70 77 1.9-7.3 11426/4.6=23...(18) QD1 LEU 103 + HG LEU 122 OK 22 100 35 62 3.3-6.8 ~3376=7, ~3376=7...(28) QD2 LEU 119 - HG LEU 122 far 14 93 15 - 4.6-8.5 QD1 LEU 53 - HG LEU 122 poor 14 99 25 55 3.3-8.9 3907/3891=8, 3900/4.6=7...(16) QD2 LEU 49 - HG LEU 122 poor 10 97 35 28 3.6-6.4 11681/11677=6...(11) QD2 LEU 122 - HG LEU 119 far 7 70 10 - 3.8-8.6 QD1 LEU 122 - HG LEU 119 far 5 51 10 - 4.4-7.9 QD1 ILE 32 - HG LEU 22 far 0 68 0 - 4.7-18.4 QD2 LEU 122 - HG LEU 70 far 0 97 0 - 4.7-8.4 QD1 LEU 122 - HG LEU 70 far 0 77 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 67 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 93 0 - 5.5-9.0 QG1 VAL 63 - HG LEU 122 far 0 100 0 - 6.0-9.0 QG1 VAL 63 - HG LEU 70 far 0 96 0 - 6.2-7.9 QD2 LEU 49 - HG LEU 119 far 0 64 0 - 7.3-10.3 QD1 LEU 103 - HG LEU 70 far 0 96 0 - 7.9-11.0 QG1 VAL 63 - HG LEU 119 far 0 69 0 - 8.3-10.9 QD1 LEU 53 - HG LEU 70 far 0 95 0 - 8.5-15.1 QD1 LEU 96 - HG LEU 119 far 0 58 0 - 8.6-10.9 QD1 ILE 37 - HG LEU 70 far 0 94 0 - 8.7-11.3 QD1 ILE 32 - HG LEU 70 far 0 93 0 - 9.3-19.4 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 11 assignments used, quality = 1.00: * H LEU 123 + HG LEU 122 OK 100 100 100 100 2.3-5.2 3899/2.1=97, 7744/3.0=67...(19) H ARG 23 + HG LEU 22 OK 63 63 100 100 4.4-6.0 6197/3.0=86, 6200/2.1=83...(14) H LEU 96 - HG LEU 122 far 14 92 15 - 5.6-8.7 H LYS 31 - HG LEU 22 far 2 42 5 - 5.9-22.1 H SER 107 - HG LEU 119 far 2 42 5 - 5.6-13.3 H GLU 30 - HG LEU 22 far 0 72 0 - 6.8-20.7 H LEU 123 - HG LEU 119 far 0 70 0 - 6.8-7.5 H LEU 96 - HG LEU 70 far 0 86 0 - 7.1-8.8 H ALA 29 - HG LEU 22 far 0 67 0 - 7.4-19.5 H SER 33 - HG LEU 22 far 0 40 0 - 9.1-25.6 H SER 107 - HG LEU 122 far 0 71 0 - 9.1-13.3 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 6 assignments used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.7-4.3 4.3=100 H GLN 127 - QD1 LEU 122 poor 20 93 30 71 4.7-8.0 4.4/11681=19...(10) H VAL 63 - QD1 LEU 122 poor 17 87 20 - 4.8-7.0 H VAL 63 - QD1 LEU 70 far 0 47 0 - 8.2-11.7 H LEU 122 - QD1 LEU 70 far 0 61 0 - 8.4-11.0 H GLN 127 - QD1 LEU 70 far 0 52 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3893 from cnoeabs.peaks (4.05, 0.81, 25.23 ppm; 3.60 A): 2 out of 18 assignments used, quality = 0.99: * HA LEU 122 + QD1 LEU 122 OK 99 100 100 99 2.5-4.0 3.8=82, 3.6/3899=39...(23) HA LEU 119 + QD1 LEU 122 OK 54 73 85 86 2.2-6.0 3764/3.1=27, 3759=18...(25) HA LEU 96 - QD1 LEU 122 poor 20 99 20 - 3.3-5.6 HB3 SER 74 - QD1 LEU 70 lone 4 46 55 15 3.1-7.4 2282/11115=14 HB2 SER 74 - QD1 LEU 70 lone 4 47 55 14 2.4-6.3 2282/11115=14 HB THR 65 - QD1 LEU 122 far 0 90 0 - 4.6-7.2 HB3 SER 124 - QD1 LEU 122 far 0 83 0 - 6.1-9.0 HA LEU 96 - QD1 LEU 70 far 0 58 0 - 6.4-7.5 HA GLU 102 - QD1 LEU 122 far 0 100 0 - 6.6-10.1 HA LEU 122 - QD1 LEU 70 far 0 61 0 - 7.4-9.3 HA ALA 92 - QD1 LEU 70 far 0 61 0 - 7.7-10.0 HB THR 65 - QD1 LEU 70 far 0 50 0 - 8.1-10.8 HA GLU 102 - QD1 LEU 70 far 0 61 0 - 8.1-11.6 HA ALA 92 - QD1 LEU 122 far 0 100 0 - 8.3-10.7 HB2 SER 74 - QD1 LEU 122 far 0 87 0 - 9.1-13.6 HB3 SER 74 - QD1 LEU 122 far 0 85 0 - 9.5-14.3 HA LEU 119 - QD1 LEU 70 far 0 38 0 - 9.6-13.4 HA ILE 37 - QD1 LEU 70 far 0 30 0 - 9.8-12.6 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 7 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD1 LEU 70 OK 61 61 100 100 2.1-2.1 2.1=100 HG LEU 119 - QD1 LEU 122 far 5 95 5 - 4.4-7.9 HG LEU 70 - QD1 LEU 122 far 0 100 0 - 5.4-8.5 HB2 LEU 122 - QD1 LEU 70 far 0 61 0 - 5.8-9.8 HG LEU 122 - QD1 LEU 70 far 0 61 0 - 6.2-9.8 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 14 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 100 + QD1 LEU 122 OK 70 89 85 94 2.0-4.4 2.1/9487=30, 3887/2.1=21...(33) HB2 LEU 100 + QD1 LEU 122 OK 27 63 45 94 1.9-5.9 3.2/9487=22, ~10337=16...(43) HB3 LEU 103 - QD1 LEU 122 far 15 100 15 - 3.4-7.1 HB3 LEU 123 - QD1 LEU 122 poor 10 39 55 47 2.5-6.2 3.9/3899=27, 3.0/2261=8...(6) HB2 LEU 100 - QD1 LEU 70 poor 8 32 25 - 3.2-6.5 HG LEU 100 - QD1 LEU 70 far 2 49 5 - 3.5-6.8 HB3 LEU 98 - QD1 LEU 122 far 0 98 0 - 5.7-9.3 HB3 LEU 122 - QD1 LEU 70 far 0 61 0 - 6.5-10.4 HB3 LEU 103 - QD1 LEU 70 far 0 61 0 - 6.6-10.7 HB3 LEU 98 - QD1 LEU 70 far 0 58 0 - 6.9-8.8 HB2 LEU 48 - QD1 LEU 122 far 0 95 0 - 6.9-11.7 HB3 LYS 24 - QD1 LEU 70 far 0 44 0 - 8.2-30.8 HB3 LYS 19 - QD1 LEU 70 far 0 47 0 - 9.9-26.3 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 9 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 98 100 100 98 2.0-3.2 3.1=89, 3.0/3893=24...(22) 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 20 65 30 - 3.0-6.5 HG LEU 119 - QD1 LEU 122 far 0 89 0 - 4.4-7.9 HG LEU 70 - QD1 LEU 122 far 0 99 0 - 5.4-8.5 HB2 LEU 122 - QD1 LEU 70 far 0 61 0 - 5.8-9.8 HG LEU 122 - QD1 LEU 70 far 0 61 0 - 6.2-9.8 HB2 LEU 103 - QD1 LEU 70 far 0 33 0 - 7.2-10.6 Violated in 0 structures by 0.00 A. Peak 3897 from cnoeabs.peaks (0.81, 0.81, 25.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 122 + QD1 LEU 122 OK 100 100 - 100 QD1 LEU 70 + QD1 LEU 70 OK 55 55 - 100 Peak 3898 from cnoeabs.peaks (0.79, 0.81, 25.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QD1 LEU 122 + QD1 LEU 122 OK 83 83 - 100 Reference assignment not found: QD2 LEU 122 - QD1 LEU 122 Peak 3899 from cnoeabs.peaks (8.26, 0.81, 25.23 ppm; 4.25 A): 1 out of 6 assignments used, quality = 0.99: * H LEU 123 + QD1 LEU 122 OK 99 100 100 99 1.9-4.8 7744/3.1=48, 3.6/3893=40...(25) H LEU 96 - QD1 LEU 70 far 0 51 0 - 5.2-6.9 H LEU 96 - QD1 LEU 122 far 0 92 0 - 5.3-7.6 H SER 107 - QD1 LEU 122 far 0 71 0 - 8.2-11.2 H LEU 123 - QD1 LEU 70 far 0 61 0 - 9.3-12.1 H ASP 131 - QD1 LEU 122 far 0 97 0 - 9.9-13.2 Violated in 9 structures by 0.14 A. Peak 3900 from cnoeabs.peaks (8.18, 0.79, 26.05 ppm; 4.55 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.4-4.4 5.1=72, 7732/2.1=42...(41) H LEU 122 + QD1 LEU 53 OK 41 93 50 87 3.9-8.1 3.3/3907=36, ~11818=34...(15) H GLN 127 - QD1 LEU 53 poor 18 83 50 43 4.4-7.2 7759/11585=11...(9) H GLN 127 - QD2 LEU 122 poor 13 93 25 56 4.5-8.3 7805/10366=18...(8) H VAL 63 - QD2 LEU 122 far 4 87 5 - 5.3-8.0 H VAL 63 - QD1 LEU 53 far 0 76 0 - 6.0-11.3 Violated in 0 structures by 0.00 A. Peak 3901 from cnoeabs.peaks (4.05, 0.79, 26.05 ppm; 3.65 A): 4 out of 15 assignments used, quality = 1.00: * HA LEU 122 + QD2 LEU 122 OK 99 100 100 99 1.8-4.1 3.9=79, 3860/2.1=32...(29) HA LEU 96 + QD2 LEU 122 OK 56 99 65 87 2.2-5.2 3.0/10337=17...(23) HA LEU 119 + QD1 LEU 53 OK 25 63 45 89 3.5-7.4 11845/2.1=50...(22) HA LEU 119 + QD2 LEU 122 OK 24 73 40 82 2.4-5.9 3764/3.1=28, 3759/2.1=14...(22) HA LEU 122 - QD1 LEU 53 far 9 93 10 - 4.1-8.5 HB THR 65 - QD1 LEU 53 far 0 80 0 - 4.7-9.0 HB THR 65 - QD2 LEU 122 far 0 90 0 - 5.1-7.8 HB3 SER 124 - QD1 LEU 53 far 0 72 0 - 5.3-7.9 HA GLU 102 - QD2 LEU 122 far 0 100 0 - 6.5-10.6 HB3 SER 124 - QD2 LEU 122 far 0 83 0 - 6.5-8.3 HA LEU 96 - QD1 LEU 53 far 0 90 0 - 6.7-10.8 HA ALA 92 - QD2 LEU 122 far 0 100 0 - 7.5-10.8 HB2 SER 74 - QD2 LEU 122 far 0 87 0 - 9.5-12.9 HA GLU 44 - QD1 LEU 53 far 0 93 0 - 9.7-12.8 HA ALA 92 - QD1 LEU 53 far 0 93 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 3902 from cnoeabs.peaks (1.61, 0.79, 26.05 ppm; 3.51 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.0-3.2 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 21 93 40 56 2.0-8.5 4.3/3907=17, ~11749=9...(17) HG LEU 122 - QD1 LEU 53 poor 11 93 25 49 3.3-8.9 3891/3907=7, 4.6/3900=6...(16) HG LEU 119 - QD2 LEU 122 far 9 95 10 - 3.8-8.6 HG LEU 70 - QD2 LEU 122 far 0 100 0 - 4.7-8.4 HG LEU 119 - QD1 LEU 53 far 0 85 0 - 5.4-9.2 HG LEU 70 - QD1 LEU 53 far 0 93 0 - 8.5-15.1 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (1.79, 0.79, 26.05 ppm; 3.40 A): 4 out of 14 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 1.8-4.0 2.1/11387=27...(34) HB2 LEU 100 + QD2 LEU 122 OK 49 63 80 98 1.8-5.6 1.8/10337=31...(47) HB3 LEU 123 + QD1 LEU 53 OK 31 33 100 93 1.8-4.0 3.2/11422=50...(14) HB3 LEU 122 - QD1 LEU 53 poor 17 93 35 53 2.9-9.2 4.3/3907=16, ~11749=8...(15) HB3 LEU 103 - QD2 LEU 122 poor 16 100 25 65 3.4-7.1 1.8/3376=16...(27) HB3 LEU 123 - QD2 LEU 122 far 4 39 10 - 3.4-6.9 HB3 LEU 98 - QD2 LEU 122 far 0 98 0 - 5.0-7.8 HG LEU 100 - QD1 LEU 53 far 0 78 0 - 5.5-11.2 HB2 LEU 100 - QD1 LEU 53 far 0 54 0 - 6.1-12.8 HB2 LEU 48 - QD1 LEU 53 far 0 85 0 - 6.2-10.2 HB2 LEU 48 - QD2 LEU 122 far 0 95 0 - 7.3-13.0 HB3 LEU 103 - QD1 LEU 53 far 0 93 0 - 7.4-12.6 HB3 LEU 98 - QD1 LEU 53 far 0 89 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 3904 from cnoeabs.peaks (1.60, 0.79, 26.05 ppm; 3.51 A): 4 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 2.0-3.2 3.1=100 HB2 LEU 103 + QD2 LEU 122 OK 23 65 55 63 2.6-6.6 3376=12, 10263/10265=8...(27) HB2 LEU 122 + QD1 LEU 53 OK 21 93 40 56 2.0-8.5 4.3/3907=17, ~11749=9...(17) HG LEU 122 - QD1 LEU 53 poor 11 93 25 49 3.3-8.9 3891/3907=7, 4.6/3900=6...(16) HG LEU 119 - QD2 LEU 122 far 9 89 10 - 3.8-8.6 HG LEU 70 - QD2 LEU 122 far 0 99 0 - 4.7-8.4 HG LEU 119 - QD1 LEU 53 far 0 78 0 - 5.4-9.2 HB2 LEU 103 - QD1 LEU 53 far 0 56 0 - 7.2-12.1 HG LEU 70 - QD1 LEU 53 far 0 91 0 - 8.5-15.1 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): 2 out of 8 assignments used, quality = 0.93: * H LEU 123 + QD2 LEU 122 OK 75 100 80 93 2.8-4.8 7744/3.1=38, 3.6/3901=26...(20) H LEU 123 + QD1 LEU 53 OK 72 93 80 97 2.2-5.9 3944/11422=44...(19) H LEU 96 - QD2 LEU 122 far 5 92 5 - 4.6-7.4 H SER 107 - QD2 LEU 122 far 0 71 0 - 6.7-12.0 H LEU 96 - QD1 LEU 53 far 0 82 0 - 8.7-12.7 H ASP 131 - QD1 LEU 53 far 0 87 0 - 9.0-11.8 H ASP 131 - QD2 LEU 122 far 0 97 0 - 9.4-13.1 H SER 107 - QD1 LEU 53 far 0 61 0 - 9.7-16.6 Violated in 6 structures by 0.05 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 - 8.7-10.1 H ASP 131 - HA LEU 123 far 0 97 0 - 10.0-10.6 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 HB2 LEU 69 - HA LEU 123 far 0 85 0 - 8.0-9.9 HG LEU 62 - HA LEU 123 far 0 100 0 - 8.3-9.9 HG LEU 119 - HA LEU 123 far 0 63 0 - 8.3-10.0 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 2.2-2.6 3.0=100 HB3 LEU 119 - HA LEU 123 far 0 100 0 - 6.2-8.8 HB3 LEU 48 - HA LEU 123 far 0 87 0 - 8.5-11.8 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 5 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 100 100 3.4-3.7 3.7=100 HG LEU 49 - HA LEU 123 poor 20 100 20 - 3.6-7.5 HB2 LEU 119 - HA LEU 123 far 0 78 0 - 6.5-7.8 HB2 LEU 103 - HA LEU 123 far 0 97 0 - 8.8-11.7 HG LEU 103 - HA LEU 123 far 0 97 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 3913 from cnoeabs.peaks (0.88, 3.85, 58.53 ppm; 3.81 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 123 + HA LEU 123 OK 100 100 100 100 1.8-4.0 3.9=91, 3947/3.0=69...(25) QD1 LEU 49 - HA LEU 123 poor 14 63 55 39 2.3-6.0 2.1/9206=16, 9209=8...(7) QD2 LEU 69 - HA LEU 123 far 0 92 0 - 5.5-7.5 QD1 LEU 62 - HA LEU 123 far 0 60 0 - 5.6-8.4 QG1 VAL 118 - HA LEU 123 far 0 92 0 - 6.3-7.7 QD2 LEU 70 - HA LEU 123 far 0 63 0 - 7.5-10.1 QD2 LEU 48 - HA LEU 123 far 0 73 0 - 8.1-9.8 QG2 VAL 57 - HA LEU 123 far 0 78 0 - 8.1-9.3 QG2 VAL 63 - HA LEU 123 far 0 68 0 - 9.0-10.9 Violated in 7 structures by 0.04 A. Peak 3914 from cnoeabs.peaks (0.93, 3.85, 58.53 ppm; 3.64 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 123 + HA LEU 123 OK 100 100 100 100 2.0-3.5 4.0=73, 3954/3.0=64...(24) QG1 VAL 126 + HA LEU 123 OK 53 60 95 94 3.7-5.0 2.1/4008=57, 10393=46...(10) QD1 LEU 49 + HA LEU 123 OK 23 92 50 49 2.3-6.0 2.1/9206=15, 9209=15...(11) QD1 LEU 62 - HA LEU 123 far 0 93 0 - 5.6-8.4 QG1 VAL 118 - HA LEU 123 far 0 63 0 - 6.3-7.7 QD1 LEU 119 - HA LEU 123 far 0 93 0 - 7.7-9.1 QD1 LEU 48 - HA LEU 123 far 0 100 0 - 7.8-10.8 QD2 LEU 48 - HA LEU 123 far 0 85 0 - 8.1-9.8 QG2 VAL 63 - HA LEU 123 far 0 89 0 - 9.0-10.9 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 2 assignments used, quality = 1.00: * H SER 124 + HA LEU 123 OK 100 100 100 100 3.6-3.6 3.6=100 HD22 ASN 116 - HA LEU 123 far 0 60 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 3916 from cnoeabs.peaks (8.29, 3.85, 58.53 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 126 + HA LEU 123 OK 100 100 100 100 3.3-4.3 4.0/10393=76...(16) H LEU 49 - HA LEU 123 far 5 96 5 - 5.8-8.2 H LEU 96 - HA LEU 123 far 0 90 0 - 8.7-10.1 H SER 99 - HA LEU 123 far 0 100 0 - 8.9-10.9 H LEU 69 - HA LEU 123 far 0 99 0 - 9.5-11.0 H ASP 131 - HA LEU 123 far 0 83 0 - 10.0-10.6 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 = 1.00: * HB VAL 126 + HA LEU 123 OK 100 100 100 100 2.6-3.8 4008=100, 2.1/10393=93...(13) HB2 GLU 128 - HA LEU 123 far 0 73 0 - 7.3-9.3 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 1.9-3.6 3813=100, 3927/1.8=89...(20) HA THR 54 - HB2 LEU 123 far 0 100 0 - 6.3-10.7 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 1 assignment used, quality = 1.00: * H LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.1-2.9 3.9=100 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 - 5.7-8.1 HA LEU 62 - HB2 LEU 123 far 0 100 0 - 8.6-11.1 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 - 5.0-7.7 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 5 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 LEU 119 - HB2 LEU 123 far 0 78 0 - 5.3-7.6 HG LEU 49 - HB2 LEU 123 far 0 100 0 - 6.3-10.3 HG LEU 103 - HB2 LEU 123 far 0 97 0 - 8.5-13.7 HB2 LEU 103 - HB2 LEU 123 far 0 97 0 - 9.1-12.4 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 9 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.2-3.2 3.2=100 QD1 LEU 49 - HB2 LEU 123 far 3 63 5 - 4.3-8.5 QD1 LEU 62 - HB2 LEU 123 far 0 60 0 - 5.5-7.9 QG1 VAL 118 - HB2 LEU 123 far 0 92 0 - 6.2-8.0 QD2 LEU 69 - HB2 LEU 123 far 0 92 0 - 7.9-9.9 QG2 VAL 57 - HB2 LEU 123 far 0 78 0 - 8.0-10.1 QD2 LEU 70 - HB2 LEU 123 far 0 63 0 - 9.5-11.8 QD2 LEU 48 - HB2 LEU 123 far 0 73 0 - 9.5-11.4 QG2 VAL 63 - HB2 LEU 123 far 0 68 0 - 9.7-12.3 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 9 assignments used, quality = 1.00: * QD1 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 LEU 49 - HB2 LEU 123 far 9 92 10 - 4.3-8.5 QD1 LEU 62 - HB2 LEU 123 far 0 93 0 - 5.5-7.9 QG1 VAL 126 - HB2 LEU 123 far 0 60 0 - 6.1-7.3 QG1 VAL 118 - HB2 LEU 123 far 0 63 0 - 6.2-8.0 QD1 LEU 119 - HB2 LEU 123 far 0 93 0 - 6.4-8.4 QD2 LEU 48 - HB2 LEU 123 far 0 85 0 - 9.5-11.4 QG2 VAL 63 - HB2 LEU 123 far 0 89 0 - 9.7-12.3 QD1 LEU 48 - HB2 LEU 123 far 0 100 0 - 10.0-12.8 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 2 assignments used, quality = 1.00: * H SER 124 + HB2 LEU 123 OK 100 100 100 100 2.0-2.7 7763=100, 7764/1.8=90...(21) HD22 ASN 116 - HB2 LEU 123 far 0 60 0 - 8.7-13.1 Violated in 0 structures by 0.00 A. Peak 3927 from cnoeabs.peaks (4.42, 1.88, 41.23 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.98: * HA ASN 120 + HB3 LEU 123 OK 98 98 100 100 2.3-4.6 3813/1.8=92...(20) HA THR 54 - HB3 LEU 123 far 0 98 0 - 5.9-10.5 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 2.2-3.0 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): 1 out of 3 assignments used, quality = 0.98: * HA LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.2-2.6 3.0=100 HB2 SER 50 - HB3 LEU 123 far 5 94 5 - 4.4-7.4 HA LEU 62 - HB3 LEU 123 far 0 98 0 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 3930 from cnoeabs.peaks (1.65, 1.88, 41.23 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LEU 123 + HB3 LEU 123 OK 98 98 100 100 1.8-1.8 1.8=100 HG LEU 119 - HB3 LEU 123 far 0 58 0 - 6.5-8.9 HG LEU 62 - HB3 LEU 123 far 0 98 0 - 7.0-9.4 HB2 LEU 69 - HB3 LEU 123 far 0 80 0 - 9.9-12.3 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 5 assignments used, quality = 0.98: * HG LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.2-3.0 3.0=100 HG LEU 49 - HB3 LEU 123 far 10 97 10 - 4.9-9.1 HB2 LEU 119 - HB3 LEU 123 poor 6 74 30 25 4.8-6.4 2.9/3757=17, 3768=3...(4) HG LEU 103 - HB3 LEU 123 far 0 93 0 - 8.5-12.5 HB2 LEU 103 - HB3 LEU 123 far 0 94 0 - 8.5-11.6 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 2.0-2.8 3.2=100 QD1 LEU 49 - HB3 LEU 123 poor 10 58 35 51 3.1-7.9 ~9206=9, ~9206=8...(17) QD1 LEU 62 - HB3 LEU 123 far 6 56 10 - 4.4-7.6 QG1 VAL 118 - HB3 LEU 123 far 0 87 0 - 5.9-7.4 QG2 VAL 57 - HB3 LEU 123 far 0 74 0 - 6.8-8.7 QD2 LEU 69 - HB3 LEU 123 far 0 87 0 - 7.2-9.5 QD2 LEU 48 - HB3 LEU 123 far 0 69 0 - 8.2-10.6 QG2 VAL 63 - HB3 LEU 123 far 0 64 0 - 8.8-11.0 QD2 LEU 70 - HB3 LEU 123 far 0 58 0 - 9.0-11.3 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 2.4-3.2 3.2=100 QD1 LEU 49 - HB3 LEU 123 poor 11 87 25 51 3.1-7.9 9209/3.0=10, ~9206=9...(17) QD1 LEU 62 - HB3 LEU 123 far 4 89 5 - 4.4-7.6 QG1 VAL 126 - HB3 LEU 123 far 0 56 0 - 5.5-7.2 QG1 VAL 118 - HB3 LEU 123 far 0 58 0 - 5.9-7.4 QD1 LEU 119 - HB3 LEU 123 far 0 89 0 - 6.2-7.7 QD2 LEU 48 - HB3 LEU 123 far 0 80 0 - 8.2-10.6 QD1 LEU 48 - HB3 LEU 123 far 0 97 0 - 8.7-12.1 QG2 VAL 63 - HB3 LEU 123 far 0 84 0 - 8.8-11.0 QG1 VAL 57 - HB3 LEU 123 far 0 76 0 - 9.1-11.0 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 2 assignments used, quality = 0.98: * H SER 124 + HB3 LEU 123 OK 98 98 100 100 3.3-3.9 4.6=100 HD22 ASN 116 - HB3 LEU 123 far 0 56 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (8.26, 1.57, 26.72 ppm; 4.52 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 123 + HG LEU 123 OK 100 100 100 100 4.0-4.6 11570=100, 3952/2.1=86...(16) H ARG 23 + HG2 ARG 23 OK 66 66 100 100 1.9-4.0 6205=88, 6203/3.0=81...(19) H SER 107 - HG LEU 103 poor 16 55 60 48 3.7-7.5 3.0/11630=11, ~10115=11...(8) H ALA 29 - HG2 ARG 23 far 3 70 5 - 5.2-18.2 H LYS 31 - HG2 ARG 23 far 2 44 5 - 4.9-21.1 H LEU 123 - HG LEU 49 far 0 78 0 - 5.8-9.4 H GLU 30 - HG2 ARG 23 far 0 76 0 - 6.7-18.2 H LEU 123 - HG LEU 103 far 0 87 0 - 7.4-11.4 H SER 33 - HG2 ARG 23 far 0 42 0 - 8.7-24.3 H LEU 43 - HG LEU 49 far 0 42 0 - 9.4-12.2 H ASP 131 - HG LEU 49 far 0 71 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3937 from cnoeabs.peaks (3.85, 1.57, 26.72 ppm; 4.82 A): 5 out of 10 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 100 100 3.4-3.7 3.7=100 HB2 SER 50 + HG LEU 123 OK 63 97 65 100 4.1-7.0 11698/2.1=60, ~11772=58...(18) HA LEU 62 + HG LEU 49 OK 44 77 60 96 4.1-7.2 10994/2.1=69...(8) HA LEU 123 + HG LEU 49 OK 29 78 40 94 3.6-7.5 10393/11615=76...(17) HB2 SER 50 + HG LEU 49 OK 24 72 35 97 4.5-8.0 ~11338=45, 3.9/6620=44...(20) HA LEU 62 - HG LEU 103 far 4 87 5 - 5.5-8.3 HB2 SER 130 - HG LEU 49 far 0 46 0 - 7.0-10.8 HA LEU 62 - HG LEU 123 far 0 100 0 - 8.1-11.6 HD2 PRO 117 - HG LEU 103 far 0 79 0 - 8.3-11.7 HA LEU 123 - HG LEU 103 far 0 87 0 - 8.9-13.3 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 22 assignments used, quality = 1.00: * HB2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 ARG 23 + HG2 ARG 23 OK 48 48 100 100 1.8-1.8 1.8=100 HD3 LYS 24 - HG2 ARG 23 poor 18 71 25 - 2.7-9.0 HD2 LYS 24 - HG2 ARG 23 poor 14 70 20 - 3.8-9.1 HG LEU 119 - HG LEU 103 poor 10 48 20 - 3.9-9.8 HB2 LEU 69 - HG LEU 49 far 6 59 10 - 4.8-7.7 HG LEU 62 - HG LEU 103 far 4 87 5 - 5.1-8.1 HD3 LYS 31 - HG2 ARG 23 far 4 71 5 - 4.0-22.5 HD2 LYS 31 - HG2 ARG 23 far 3 70 5 - 4.9-22.1 HD2 LYS 26 - HG2 ARG 23 far 0 71 0 - 5.6-13.6 HD3 LYS 26 - HG2 ARG 23 far 0 73 0 - 5.8-13.5 HB2 LEU 123 - HG LEU 49 far 0 78 0 - 6.3-10.3 HG LEU 62 - HG LEU 49 far 0 77 0 - 6.4-9.7 HG LEU 62 - HG LEU 123 far 0 100 0 - 7.9-11.8 HG LEU 119 - HG LEU 123 far 0 63 0 - 7.9-10.2 HD2 LYS 19 - HG2 ARG 23 far 0 76 0 - 8.1-13.4 HB2 LEU 123 - HG LEU 103 far 0 87 0 - 8.5-13.7 HD3 LYS 19 - HG2 ARG 23 far 0 76 0 - 8.6-13.3 HB2 LEU 98 - HG LEU 103 far 0 87 0 - 8.7-12.6 HD2 LYS 26 - HG LEU 49 far 0 72 0 - 9.9-40.1 HD3 LYS 26 - HG LEU 49 far 0 74 0 - 10.0-39.1 HG LEU 119 - HG LEU 49 far 0 42 0 - 10.0-13.0 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 8 assignments used, quality = 0.99: * HB3 LEU 123 + HG LEU 123 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LEU 48 + HG LEU 49 OK 45 61 80 92 2.9-8.2 4.6/6606=40, 3.1/9205=40...(18) HB3 LEU 123 - HG LEU 49 far 7 73 10 - 4.9-9.1 HB3 LEU 119 - HG LEU 123 far 0 100 0 - 6.1-8.2 HB3 LEU 119 - HG LEU 103 far 0 86 0 - 6.3-9.5 HB3 LEU 123 - HG LEU 103 far 0 83 0 - 8.5-12.5 HB3 LEU 119 - HG LEU 49 far 0 77 0 - 8.5-12.3 HB3 LEU 48 - HG LEU 123 far 0 87 0 - 9.3-14.0 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): 5 out of 29 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 45 53 95 89 1.9-4.0 11822/2.1=22, ~11832=16...(31) QD1 LEU 49 + HG LEU 49 OK 42 42 100 100 2.1-2.1 2.1=100 QG1 VAL 118 + HG LEU 103 OK 40 75 55 97 2.1-4.2 ~10265=28, 10261=27...(23) QD2 LEU 69 + HG LEU 49 OK 33 66 60 84 2.9-4.4 11061/2.1=26...(17) QG2 VAL 20 - HG2 ARG 23 poor 16 73 35 64 2.8-6.6 11844/3.0=13...(15) QD1 LEU 22 - HG2 ARG 23 far 7 71 10 - 3.3-8.4 QD2 LEU 123 - HG LEU 49 far 4 78 5 - 3.8-8.3 QD1 LEU 62 - HG LEU 103 far 2 46 5 - 2.8-6.1 QD2 LEU 48 - HG LEU 49 far 0 50 0 - 4.0-5.5 QD1 LEU 49 - HG LEU 123 far 0 63 0 - 4.1-8.8 QG1 VAL 20 - HG2 ARG 23 far 0 50 0 - 4.2-8.3 QD1 LEU 62 - HG LEU 123 far 0 60 0 - 5.4-9.9 QD1 LEU 62 - HG LEU 49 far 0 40 0 - 5.5-8.7 QD1 LEU 49 - HG LEU 103 far 0 48 0 - 6.5-11.4 QD2 LEU 70 - HG LEU 49 far 0 42 0 - 6.8-9.3 QG2 VAL 57 - HG LEU 49 far 0 54 0 - 6.8-8.5 QG2 VAL 57 - HG LEU 103 far 0 62 0 - 6.9-9.8 QD2 LEU 70 - HG LEU 103 far 0 48 0 - 7.0-10.6 QG2 VAL 57 - HG LEU 123 far 0 78 0 - 7.1-10.3 QG2 VAL 63 - HG LEU 49 far 0 46 0 - 7.3-10.3 QG1 VAL 118 - HG LEU 49 far 0 66 0 - 7.3-10.4 QD2 LEU 48 - HG LEU 123 far 0 73 0 - 7.8-11.3 QG1 VAL 118 - HG LEU 123 far 0 92 0 - 7.8-8.9 QD2 LEU 69 - HG LEU 123 far 0 92 0 - 8.0-10.4 QD1 LEU 98 - HG LEU 103 far 0 62 0 - 8.2-12.2 QD2 LEU 69 - HG LEU 103 far 0 75 0 - 8.6-12.1 QD2 LEU 123 - HG LEU 103 far 0 87 0 - 8.7-12.5 QD2 LEU 98 - HG LEU 103 far 0 84 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (0.93, 1.57, 26.72 ppm; 3.30 A): 5 out of 30 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 1.9-4.0 1584=23, 11822/2.1=22...(31) 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 48 48 100 98 2.1-4.2 ~10265=36, 11822/2.1=23...(24) QG1 VAL 126 + HG LEU 49 OK 22 40 65 86 2.5-4.6 11676/2.1=31, 11682=28...(13) QD2 LEU 48 - HG LEU 49 far 9 59 15 - 4.0-5.5 QD1 LEU 49 - HG LEU 123 far 5 92 5 - 4.1-8.8 QD1 LEU 123 - HG LEU 49 far 4 78 5 - 4.1-8.0 QD1 LEU 62 - HG LEU 103 far 4 77 5 - 2.8-6.1 QD1 LEU 48 - HG LEU 49 far 4 77 5 - 4.0-6.0 QG1 VAL 20 - HG2 ARG 23 far 0 56 0 - 4.2-8.3 QD1 LEU 119 - HG LEU 103 far 0 77 0 - 5.0-7.8 QD1 LEU 62 - HG LEU 123 far 0 93 0 - 5.4-9.9 QD1 LEU 62 - HG LEU 49 far 0 67 0 - 5.5-8.7 QG1 VAL 126 - HG LEU 123 far 0 60 0 - 5.8-7.8 QD1 LEU 49 - HG LEU 103 far 0 75 0 - 6.5-11.4 QD1 LEU 119 - HG LEU 123 far 0 93 0 - 7.1-8.9 QG2 VAL 63 - HG LEU 49 far 0 63 0 - 7.3-10.3 QG1 VAL 118 - HG LEU 49 far 0 42 0 - 7.3-10.4 QG2 VAL 112 - HG LEU 103 far 0 86 0 - 7.4-11.0 QD2 LEU 48 - HG LEU 123 far 0 85 0 - 7.8-11.3 QG1 VAL 118 - HG LEU 123 far 0 63 0 - 7.8-8.9 QG1 VAL 57 - HG LEU 49 far 0 55 0 - 7.9-9.7 QD1 LEU 119 - HG LEU 49 far 0 67 0 - 8.2-11.4 QD1 LEU 48 - HG LEU 123 far 0 100 0 - 8.8-12.6 QG1 VAL 57 - HG LEU 103 far 0 64 0 - 8.9-11.5 QG1 VAL 57 - HG LEU 123 far 0 81 0 - 9.1-12.4 QD1 LEU 123 - HG LEU 103 far 0 87 0 - 9.5-13.3 QD1 LEU 48 - HG2 ARG 23 far 0 75 0 - 9.8-30.3 QG1 VAL 126 - HG LEU 103 far 0 46 0 - 10.0-12.8 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 7 assignments used, quality = 1.00: * H SER 124 + HG LEU 123 OK 100 100 100 100 2.4-4.7 7765=100, 7767/2.1=88...(22) HD22 ASN 116 + HG LEU 103 OK 25 46 75 72 3.9-6.8 ~11425=48, ~10219=31...(5) H ASP 64 - HG LEU 103 far 0 78 0 - 6.5-8.8 H THR 18 - HG2 ARG 23 far 0 42 0 - 6.6-12.9 H VAL 112 - HG LEU 103 far 0 81 0 - 6.7-10.6 H SER 124 - HG LEU 49 far 0 78 0 - 7.2-10.9 H ASP 64 - HG LEU 49 far 0 69 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 3944 from cnoeabs.peaks (8.26, 0.88, 25.36 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 123 + QD2 LEU 123 OK 100 100 100 100 3.5-4.2 3952/2.1=76, 7752=66...(16) H ASP 131 - QD2 LEU 123 far 0 97 0 - 7.9-10.9 H LEU 96 - QD2 LEU 123 far 0 92 0 - 8.9-11.6 Violated in 6 structures by 0.03 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 1.8-4.0 3.9=100 HB2 SER 50 + QD2 LEU 123 OK 82 97 85 99 1.9-5.5 3.0/11636=66...(20) HA LEU 62 - QD2 LEU 123 far 0 100 0 - 6.0-9.4 HB2 SER 130 - QD2 LEU 123 far 0 68 0 - 7.1-11.2 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 4 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.2-3.2 3.2=100 HG LEU 119 - QD2 LEU 123 far 0 63 0 - 5.4-8.6 HG LEU 62 - QD2 LEU 123 far 0 100 0 - 6.3-9.1 HB2 LEU 69 - QD2 LEU 123 far 0 85 0 - 7.5-11.5 Violated in 0 structures by 0.00 A. Peak 3947 from cnoeabs.peaks (1.88, 0.88, 25.36 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LEU 123 + QD2 LEU 123 OK 98 98 100 100 2.0-2.8 3.2=100 HB3 LEU 119 - QD2 LEU 123 far 5 100 5 - 3.8-7.4 HB3 LEU 48 - QD2 LEU 123 far 0 87 0 - 6.1-11.0 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 5 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 49 - QD2 LEU 123 far 5 100 5 - 3.8-8.3 HB2 LEU 119 - QD2 LEU 123 far 0 78 0 - 4.9-6.7 HB2 LEU 103 - QD2 LEU 123 far 0 97 0 - 8.7-11.4 HG LEU 103 - QD2 LEU 123 far 0 97 0 - 8.7-12.5 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 QG1 VAL 126 - QD2 LEU 123 far 9 60 15 - 3.1-6.6 QD1 LEU 49 - QD2 LEU 123 lone 2 92 25 10 1.7-7.2 3934/3947=4, 9209/3.9=3 QD1 LEU 62 - QD2 LEU 123 far 0 93 0 - 4.6-7.5 QD1 LEU 119 - QD2 LEU 123 far 0 93 0 - 5.6-7.9 QD2 LEU 48 - QD2 LEU 123 far 0 85 0 - 5.6-8.8 QD1 LEU 48 - QD2 LEU 123 far 0 100 0 - 6.1-10.0 QG1 VAL 118 - QD2 LEU 123 far 0 63 0 - 6.5-7.4 QG1 VAL 57 - QD2 LEU 123 far 0 81 0 - 7.1-9.4 QG2 VAL 63 - QD2 LEU 123 far 0 89 0 - 7.9-10.4 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 3 assignments used, quality = 1.00: * H SER 124 + QD2 LEU 123 OK 100 100 100 100 3.7-4.7 7766=100, 7765/2.1=91...(21) HD22 ASN 116 - QD2 LEU 123 far 0 60 0 - 8.3-12.5 H ASP 64 - QD2 LEU 123 far 0 95 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 3952 from cnoeabs.peaks (8.26, 0.93, 23.65 ppm; 3.92 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 123 + QD1 LEU 123 OK 100 100 100 100 4.1-4.3 3944/2.1=66, 4.7=59...(12) H LEU 123 - QD1 LEU 49 far 5 53 10 - 4.2-7.6 H ASP 131 - QD1 LEU 49 far 0 48 0 - 7.0-10.9 H LEU 43 - QD1 LEU 49 far 0 27 0 - 7.6-10.9 H ASP 131 - QD1 LEU 123 far 0 97 0 - 7.9-9.4 H LEU 96 - QD1 LEU 49 far 0 44 0 - 8.1-9.8 H ALA 29 - QD2 LEU 48 far 0 38 0 - 9.0-25.9 H LEU 96 - QD1 LEU 123 far 0 92 0 - 9.2-10.6 H LEU 123 - QD2 LEU 48 far 0 43 0 - 9.5-11.4 Violated in 20 structures by 0.26 A. Peak 3953 from cnoeabs.peaks (3.85, 0.93, 23.65 ppm; 3.15 A): 2 out of 15 assignments used, quality = 1.00: * HA LEU 123 + QD1 LEU 123 OK 99 100 100 99 2.0-3.5 3.0/3954=49, 4.0=47...(22) HB2 SER 50 + QD1 LEU 123 OK 74 97 80 95 2.1-4.4 3.0/11772=47, 11698=33...(24) HB2 SER 50 - QD1 LEU 49 poor 10 49 20 - 3.0-7.1 HA LEU 123 - QD1 LEU 49 poor 8 53 40 36 2.3-6.0 9206/2.1=11, 3914=8...(7) HA LEU 62 - QD1 LEU 49 far 5 53 10 - 3.0-6.6 HA LEU 62 - QD2 LEU 48 far 0 43 0 - 5.4-6.8 HB2 SER 130 - QD1 LEU 49 far 0 29 0 - 5.7-9.0 HB2 SER 50 - QD2 LEU 48 far 0 39 0 - 6.3-7.9 HB2 SER 130 - QD1 LEU 123 far 0 68 0 - 6.8-9.6 HD3 PRO 58 - QD2 LEU 48 far 0 21 0 - 7.3-10.1 HA LEU 62 - QD1 LEU 123 far 0 100 0 - 8.0-9.7 HA LEU 123 - QD2 LEU 48 far 0 43 0 - 8.1-9.8 HD3 PRO 58 - QD1 LEU 49 far 0 27 0 - 9.5-12.9 HB2 SER 130 - QD2 LEU 48 far 0 23 0 - 9.6-11.1 HA GLU 40 - QD1 LEU 49 far 0 52 0 - 9.9-12.9 Violated in 3 structures by 0.02 A. Peak 3954 from cnoeabs.peaks (1.65, 0.93, 23.65 ppm; 3.17 A): 1 out of 18 assignments used, quality = 0.99: * HB2 LEU 123 + QD1 LEU 123 OK 99 100 100 99 2.1-3.2 3.2=99 HB2 LEU 69 - QD1 LEU 49 poor 12 39 30 - 2.2-6.9 HB2 LEU 123 - QD1 LEU 49 far 0 53 0 - 4.3-8.5 HG LEU 62 - QD1 LEU 49 far 0 53 0 - 4.8-8.3 HD3 LYS 26 - QD2 LEU 48 far 0 40 0 - 5.7-32.6 HD2 LYS 26 - QD2 LEU 48 far 0 39 0 - 6.2-33.4 HG LEU 62 - QD2 LEU 48 far 0 43 0 - 6.3-8.1 HG LEU 119 - QD1 LEU 49 far 0 27 0 - 7.5-11.5 HB2 LEU 69 - QD2 LEU 48 far 0 31 0 - 7.5-10.2 HG LEU 119 - QD1 LEU 123 far 0 63 0 - 7.9-9.8 HG LEU 62 - QD1 LEU 123 far 0 100 0 - 8.3-10.1 HG LEU 43 - QD1 LEU 49 far 0 51 0 - 8.5-11.9 HD3 LYS 26 - QD1 LEU 49 far 0 50 0 - 8.5-31.8 HB2 LEU 69 - QD1 LEU 123 far 0 85 0 - 8.5-10.7 HD2 LYS 26 - QD1 LEU 49 far 0 49 0 - 8.7-33.0 HB2 LEU 123 - QD2 LEU 48 far 0 43 0 - 9.5-11.4 HD3 LYS 24 - QD2 LEU 48 far 0 39 0 - 9.6-31.6 HD2 LYS 24 - QD2 LEU 48 far 0 38 0 - 9.8-32.8 Violated in 7 structures by 0.00 A. Peak 3955 from cnoeabs.peaks (1.88, 0.93, 23.65 ppm; 3.34 A): 2 out of 10 assignments used, quality = 0.99: * HB3 LEU 123 + QD1 LEU 123 OK 98 98 100 100 2.4-3.2 3.2=100 HB3 LEU 48 + QD2 LEU 48 OK 32 32 100 100 2.1-3.2 3.1=100 HB3 LEU 48 - QD1 LEU 49 poor 16 40 55 74 2.6-6.6 3939/2.1=19, ~9205=15...(17) HB3 LEU 123 - QD1 LEU 49 far 7 50 15 - 3.1-7.9 HB3 LEU 119 - QD1 LEU 123 far 0 100 0 - 6.2-8.5 HB3 LEU 119 - QD1 LEU 49 far 0 52 0 - 7.0-11.1 HB3 LEU 48 - QD1 LEU 123 far 0 87 0 - 8.0-10.6 HB3 LEU 123 - QD2 LEU 48 far 0 40 0 - 8.2-10.6 HB3 LYS 36 - QD1 LEU 49 far 0 50 0 - 9.8-17.8 HB3 LEU 119 - QD2 LEU 48 far 0 42 0 - 9.8-12.4 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 13 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 - 4.0-5.5 HG LEU 49 - QD1 LEU 123 far 0 100 0 - 4.1-8.0 HG LEU 123 - QD1 LEU 49 far 0 53 0 - 4.1-8.8 HB2 LEU 119 - QD1 LEU 49 far 0 35 0 - 5.9-10.3 HB2 LEU 119 - QD1 LEU 123 far 0 78 0 - 6.4-7.8 HG LEU 103 - QD1 LEU 49 far 0 48 0 - 6.5-11.4 HB2 LEU 103 - QD1 LEU 49 far 0 49 0 - 7.4-10.8 HG LEU 123 - QD2 LEU 48 far 0 43 0 - 7.8-11.3 HB3 LEU 42 - QD1 LEU 49 far 0 34 0 - 8.0-12.0 HB2 LEU 119 - QD2 LEU 48 far 0 28 0 - 8.7-11.3 HG LEU 103 - QD1 LEU 123 far 0 97 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (0.88, 0.93, 23.65 ppm; 2.50 A): 1 out of 25 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 poor 19 44 70 63 1.7-4.0 11061/2.1=19...(14) QD2 LEU 123 - QD1 LEU 49 poor 13 53 25 - 1.7-7.2 QD1 LEU 49 - QD1 LEU 123 far 3 63 5 - 2.9-7.0 QD1 LEU 49 - QD2 LEU 48 far 0 21 0 - 3.7-5.7 QD2 LEU 48 - QD1 LEU 49 far 0 32 0 - 3.7-5.7 QD1 LEU 62 - QD1 LEU 49 far 0 25 0 - 4.2-7.7 QD2 LEU 69 - QD2 LEU 48 far 0 35 0 - 4.8-7.2 QD2 LEU 70 - QD1 LEU 49 far 0 27 0 - 4.8-7.4 QG2 VAL 57 - QD1 LEU 49 far 0 35 0 - 5.0-8.1 QG2 VAL 57 - QD2 LEU 48 far 0 28 0 - 5.1-6.2 QD2 LEU 123 - QD2 LEU 48 far 0 43 0 - 5.6-8.8 QD1 LEU 62 - QD1 LEU 123 far 0 60 0 - 6.0-8.2 QG2 VAL 63 - QD1 LEU 49 far 0 29 0 - 6.1-8.7 QG1 VAL 118 - QD1 LEU 49 far 0 44 0 - 6.2-8.4 QD2 LEU 69 - QD1 LEU 123 far 0 92 0 - 6.4-8.0 QG1 VAL 118 - QD1 LEU 123 far 0 92 0 - 7.0-8.4 QD1 LEU 22 - QD2 LEU 48 far 0 39 0 - 7.1-29.9 QG2 VAL 57 - QD1 LEU 123 far 0 78 0 - 7.1-8.4 QD2 LEU 48 - QD1 LEU 123 far 0 73 0 - 7.3-9.2 QD2 LEU 70 - QD1 LEU 123 far 0 63 0 - 8.3-10.2 QG2 VAL 63 - QD2 LEU 48 far 0 23 0 - 8.5-9.5 QD2 LEU 70 - QD2 LEU 48 far 0 21 0 - 8.8-10.8 QG2 VAL 63 - QD1 LEU 123 far 0 68 0 - 9.3-11.4 QG1 VAL 118 - QD2 LEU 48 far 0 35 0 - 9.4-11.3 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 6 assignments used, quality = 1.00: * H SER 124 + QD1 LEU 123 OK 100 100 100 100 2.5-3.7 7767=100, 7765/2.1=83...(21) H SER 124 - QD1 LEU 49 far 8 53 15 - 5.2-8.9 H ASP 64 - QD1 LEU 49 far 0 46 0 - 6.1-9.5 H ASP 64 - QD2 LEU 48 far 0 37 0 - 7.4-8.7 HD22 ASN 116 - QD1 LEU 49 far 0 25 0 - 9.0-14.0 HD22 ASN 116 - QD1 LEU 123 far 0 60 0 - 9.6-13.7 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 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3961 from cnoeabs.peaks (4.24, 4.24, 61.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 124 + HA SER 124 OK 100 100 - 100 HA SER 94 + HA SER 94 OK 93 93 - 100 Peak 3962 from cnoeabs.peaks (4.00, 4.24, 61.64 ppm; 3.69 A): 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 - 4.7-4.8 HA GLN 127 - HA SER 124 far 0 68 0 - 5.1-5.9 HA GLU 91 - HA SER 94 far 0 84 0 - 6.2-6.5 HA SER 50 - HA SER 124 far 0 100 0 - 6.4-7.7 HB3 SER 99 - HA SER 94 far 0 91 0 - 7.8-10.9 HB3 SER 99 - HA SER 124 far 0 97 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 3963 from cnoeabs.peaks (4.03, 4.24, 61.64 ppm; 3.78 A): 2 out of 11 assignments used, quality = 1.00: * HB3 SER 124 + HA SER 124 OK 100 100 100 100 2.3-2.8 3.0=100 HA LYS 95 + HA SER 94 OK 32 91 40 88 4.7-4.8 4.9=47, 11341/7334=23...(10) HA LEU 122 - HA SER 124 far 0 83 0 - 6.4-7.0 HA ALA 92 - HA SER 94 far 0 79 0 - 6.5-6.9 HA LEU 96 - HA SER 94 far 0 89 0 - 6.6-6.9 HB3 SER 99 - HA SER 94 far 0 66 0 - 7.8-10.9 HA LEU 96 - HA SER 124 far 0 96 0 - 7.8-9.1 HA ALA 92 - HA SER 124 far 0 87 0 - 8.6-9.9 HA LEU 122 - HA SER 94 far 0 75 0 - 8.8-10.2 HA LEU 119 - HA SER 124 far 0 100 0 - 8.9-10.3 HB3 SER 99 - HA SER 124 far 0 73 0 - 9.1-10.9 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 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 - 8.1-8.9 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 = 1.00: * H GLN 127 + HA SER 124 OK 100 100 100 100 3.4-4.2 7814/4049=59, 7804=59...(11) H LEU 122 - HA SER 124 far 0 93 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 3966 from cnoeabs.peaks (2.06, 4.24, 61.64 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 127 + HA SER 124 OK 100 100 100 100 2.3-4.1 4039=100, 1.8/4049=79...(8) HB2 GLU 128 - HA SER 124 poor 16 73 30 74 4.7-7.3 3.6/7838=36, 3986/4.9=32...(6) HB3 GLU 91 - HA SER 94 far 0 66 0 - 8.3-8.9 QE MET 11 - HA SER 94 far 0 83 0 - 9.2-47.2 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 2.1-4.4 4049=97, 1.8/3966=80...(10) HB3 GLU 97 + HA SER 94 OK 86 91 95 99 3.4-5.1 1.8/3117=81...(12) HB3 LEU 96 - HA SER 94 far 0 91 0 - 5.4-7.3 HB3 GLU 128 - HA SER 124 far 0 100 0 - 5.5-7.4 HB3 LEU 96 - HA SER 124 far 0 97 0 - 7.4-9.2 HB2 GLN 101 - HA SER 94 far 0 75 0 - 8.6-10.6 HG2 GLU 91 - HA SER 94 far 0 96 0 - 8.6-9.0 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 = 0.94: * HA ASN 121 + HB2 SER 124 OK 94 100 100 94 3.5-4.9 3837=67, 7758/7769=54...(5) HB THR 54 - HA SER 50 far 0 73 0 - 5.6-8.6 HB THR 54 - HB3 SER 51 far 0 50 0 - 6.7-8.0 HA ASN 121 - HA SER 50 far 0 100 0 - 9.1-11.3 Violated in 5 structures by 0.06 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 2.6-3.6 4.0=100 H SER 124 - HA SER 50 far 0 100 0 - 5.9-7.6 H THR 18 - HA VAL 20 far 0 56 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 3970 from cnoeabs.peaks (4.24, 4.00, 62.56 ppm; 3.68 A): 3 out of 13 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 2.4-3.0 2.9=100 HA LYS 19 + HA VAL 20 OK 28 58 50 97 4.4-4.8 6160/3.0=46, ~6159=23...(16) HA ALA 28 - HA VAL 20 far 5 92 5 - 4.1-16.2 HA ALA 29 - HA VAL 20 far 4 86 5 - 4.5-17.9 HA SER 51 - HA SER 50 far 0 73 0 - 4.6-4.8 HA LEU 22 - HA VAL 20 far 0 56 0 - 5.5-6.7 HA SER 124 - HA SER 50 far 0 100 0 - 6.4-7.7 HA LYS 26 - HA VAL 20 far 0 53 0 - 7.6-13.5 HA ALA 34 - HA VAL 20 far 0 80 0 - 7.6-26.0 HA GLN 27 - HA VAL 20 far 0 92 0 - 8.1-15.6 HA GLU 30 - HA VAL 20 far 0 81 0 - 8.8-19.7 HA SER 99 - HB2 SER 124 far 0 76 0 - 9.7-12.1 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 - 5.3-7.1 HA LEU 96 - HB2 SER 124 far 0 96 0 - 6.6-8.5 HA ALA 92 - HB2 SER 124 far 0 87 0 - 7.0-8.8 HB3 SER 99 - HB2 SER 124 far 0 73 0 - 7.6-9.5 HB3 SER 124 - HA SER 50 far 0 100 0 - 7.6-9.0 HA LEU 119 - HA SER 50 far 0 100 0 - 7.6-9.3 HA LEU 122 - HA SER 50 far 0 82 0 - 7.9-10.2 HA GLU 44 - HB3 SER 51 far 0 59 0 - 8.2-10.2 HA LYS 95 - HB2 SER 124 far 0 97 0 - 8.7-10.7 HA LEU 119 - HB2 SER 124 far 0 100 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (8.04, 4.00, 62.56 ppm; 3.77 A): 4 out of 10 assignments used, quality = 1.00: * H CYS 125 + HB2 SER 124 OK 98 100 100 98 2.6-3.6 7780=73, 3.4/7769=55...(8) H VAL 20 + HA VAL 20 OK 72 72 100 100 2.8-2.9 3.0=100 H ALA 52 + HB3 SER 51 OK 65 66 100 99 2.8-4.1 1620/1.8=60, 4.6=54...(16) H ALA 52 + HA SER 50 OK 60 91 70 94 4.1-4.8 3.3/6657=33, 6645/2.9=31...(17) H LEU 48 - HB3 SER 51 far 0 77 0 - 5.3-6.8 H LEU 48 - HA SER 50 far 0 100 0 - 6.6-7.2 H CYS 125 - HA SER 50 far 0 100 0 - 7.6-8.9 H ALA 16 - HA VAL 20 far 0 84 0 - 8.4-12.3 H SER 130 - HA SER 50 far 0 98 0 - 9.0-10.8 H SER 130 - HB2 SER 124 far 0 99 0 - 9.8-10.6 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 1 assignment used, quality = 0.97: * HA ASN 121 + HB3 SER 124 OK 97 100 100 97 3.4-4.8 3838=55, 11626/10300=53...(7) Violated in 9 structures by 0.15 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 2.1-2.9 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 2.3-2.8 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 - 7.6-9.0 HA GLN 127 - HB3 SER 124 far 0 68 0 - 7.7-8.4 HB3 SER 99 - HB3 SER 124 far 0 97 0 - 7.9-10.5 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 3.5-4.1 4.5=76, 7780/1.8=75...(10) Violated in 0 structures by 0.00 A. Peak 3980 from cnoeabs.peaks (8.04, 4.35, 62.64 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HA CYS 125 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 130 - HA CYS 125 far 0 99 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 3981 from cnoeabs.peaks (4.35, 4.35, 62.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 125 + HA CYS 125 OK 100 100 - 100 Peak 3982 from cnoeabs.peaks (2.74, 4.35, 62.64 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 CYS 73 - HA CYS 125 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 3983 from cnoeabs.peaks (3.21, 4.35, 62.64 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (8.29, 4.35, 62.64 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 96 + HA CYS 125 OK 27 90 30 98 4.9-5.9 9982/10379=29...(28) H ASP 131 - HA CYS 125 far 0 83 0 - 7.8-8.6 H SER 99 - HA CYS 125 far 0 100 0 - 7.8-9.1 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 3.3-4.0 7839=100, 3.6/3986=68...(20) 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 2.6-3.8 4087=93, 1.8/4095=56...(15) HB2 GLN 127 - HA CYS 125 far 0 73 0 - 5.0-6.5 HB VAL 126 - HA CYS 125 far 0 73 0 - 5.7-6.0 HG3 GLU 91 - HA CYS 125 far 0 63 0 - 6.3-8.0 Violated in 0 structures by 0.00 A. Peak 3987 from cnoeabs.peaks (2.22, 4.35, 62.64 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.98: HB3 LEU 96 + HA CYS 125 OK 87 97 90 100 4.2-5.5 11655/3.0=49...(44) * HB3 GLU 128 + HA CYS 125 OK 85 100 85 100 2.6-5.4 1.8/3986=83, 4095=70...(15) HB3 GLN 127 - HA CYS 125 far 0 100 0 - 5.0-6.5 HG2 GLU 91 - HA CYS 125 far 0 100 0 - 6.5-8.7 Violated in 9 structures by 0.07 A. Peak 3988 from cnoeabs.peaks (4.05, 2.74, 27.12 ppm; 4.22 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 122 + HB2 CYS 125 OK 99 100 100 99 2.2-4.2 3.0/11595=46...(19) HA LEU 96 + HB2 CYS 125 OK 99 99 100 100 2.4-3.6 3.0/11655=54...(28) HA ALA 92 + HB2 CYS 125 OK 78 100 80 98 4.2-6.1 2.1/11396=60, 11395=44...(14) HB3 SER 124 - HB2 CYS 125 far 0 83 0 - 5.7-7.4 HA LEU 119 - HB2 CYS 125 far 0 73 0 - 8.2-10.3 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 2.2-3.6 3.9=100 H SER 130 - HB2 CYS 125 far 0 99 0 - 7.1-8.7 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 2.5-3.0 3.0=100 HA LEU 69 - HB2 CYS 125 far 0 73 0 - 9.6-12.0 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 5 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 100 100 2.4-3.6 4.7=100 H LEU 96 + HB2 CYS 125 OK 90 90 100 100 2.6-4.4 3.8/11655=57...(17) H SER 99 - HB2 CYS 125 far 0 100 0 - 5.7-6.9 H ASP 131 - HB2 CYS 125 far 0 83 0 - 8.9-10.3 H LEU 69 - HB2 CYS 125 far 0 99 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 3994 from cnoeabs.peaks (4.05, 3.21, 27.12 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 122 + HB3 CYS 125 OK 100 100 100 100 1.9-3.9 3.0/11656=57, 3865=36...(21) HA LEU 96 + HB3 CYS 125 OK 98 99 100 100 2.1-3.4 4.0/9987=50...(26) HA ALA 92 - HB3 CYS 125 far 15 100 15 - 3.7-7.2 HB3 SER 124 - HB3 CYS 125 far 0 83 0 - 5.6-7.2 HA LEU 119 - HB3 CYS 125 far 0 73 0 - 7.5-10.3 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 2.2-3.6 3.9=100 H SER 130 - HB3 CYS 125 far 0 99 0 - 7.5-8.8 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 - 9.6-12.0 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 - 8.2-11.5 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 2.4-3.2 7795=91, 7792/7784=68...(22) H LEU 96 + HB3 CYS 125 OK 90 90 100 100 3.2-5.2 4.6/9987=50...(22) H SER 99 - HB3 CYS 125 far 5 100 5 - 5.3-7.2 H ASP 131 - HB3 CYS 125 far 0 83 0 - 9.0-10.4 H LEU 69 - HB3 CYS 125 far 0 99 0 - 9.4-11.3 H LEU 49 - HB3 CYS 125 far 0 96 0 - 9.7-12.4 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 2.8-2.9 2.9=100 H LEU 96 - HA VAL 126 far 0 90 0 - 5.7-6.5 H ASP 131 - HA VAL 126 far 0 83 0 - 6.4-7.0 H LEU 69 - HA VAL 126 far 0 99 0 - 7.1-8.8 H LEU 49 - HA VAL 126 far 0 96 0 - 7.5-9.3 H SER 99 - HA VAL 126 far 0 100 0 - 8.8-10.2 H LEU 43 - HA VAL 126 far 0 100 0 - 9.5-10.4 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): 2 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 OK 49 73 70 95 4.8-5.7 4.5/4006=44...(13) HG3 GLU 91 - HA VAL 126 far 0 100 0 - 9.2-10.3 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 2.4-2.6 3.2=100 QG2 VAL 126 + HA VAL 126 OK 99 99 100 100 2.1-2.4 3.2=100 QD1 LEU 123 - HA VAL 126 far 0 60 0 - 5.7-7.6 QD2 LEU 53 - HA VAL 126 far 0 97 0 - 7.0-10.8 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 2.1-2.4 3.2=100 QG1 VAL 126 + HA VAL 126 OK 99 99 100 100 2.4-2.6 3.2=100 QD2 LEU 53 - HA VAL 126 far 0 100 0 - 7.0-10.8 Violated in 0 structures by 0.00 A. Peak 4005 from cnoeabs.peaks (8.20, 3.43, 67.09 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA VAL 126 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 122 - HA VAL 126 far 0 93 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 4006 from cnoeabs.peaks (8.00, 3.43, 67.09 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA VAL 126 OK 100 100 100 100 3.1-3.6 7873/10402=66...(21) H SER 94 - HA VAL 126 far 0 97 0 - 8.1-8.7 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 2.7-3.8 3.2/10402=66...(23) HB3 LEU 53 - HA VAL 126 far 0 98 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 4008 from cnoeabs.peaks (3.85, 2.10, 31.38 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 123 + HB VAL 126 OK 100 100 100 100 2.6-3.8 10393/2.1=90, 3917=88...(13) HB2 SER 50 - HB VAL 126 far 15 97 15 - 4.5-7.4 HB2 SER 130 - HB VAL 126 far 0 68 0 - 5.7-8.8 HA LEU 62 - HB VAL 126 far 0 100 0 - 8.3-9.5 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 2.2-2.6 3.7=100 H LEU 49 - HB VAL 126 far 0 96 0 - 5.3-7.5 H LEU 69 - HB VAL 126 far 0 99 0 - 7.3-8.8 H LEU 96 - HB VAL 126 far 0 90 0 - 7.3-8.3 H ASP 131 - HB VAL 126 far 0 83 0 - 7.8-8.8 H SER 99 - HB VAL 126 far 0 100 0 - 8.7-10.6 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 - 7.6-8.4 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 5 assignments used, quality = 1.00: * QG1 VAL 126 + HB VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 126 + HB VAL 126 OK 99 99 100 100 2.1-2.1 2.1=100 QD1 LEU 123 - HB VAL 126 poor 15 60 25 - 3.3-5.8 QD2 LEU 53 - HB VAL 126 far 0 97 0 - 4.8-8.9 QD1 LEU 119 - HB VAL 126 far 0 92 0 - 9.7-11.1 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 4 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 - 4.8-8.9 QD1 LEU 119 - HB VAL 126 far 0 78 0 - 9.7-11.1 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 2.5-3.0 4.6=82, 4026/2.1=78...(18) H LEU 122 - HB VAL 126 far 0 93 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 4015 from cnoeabs.peaks (8.29, 0.96, 22.68 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 126 + QG1 VAL 126 OK 100 100 100 100 3.6-3.8 4.0=85, 4021/2.1=81...(13) H LEU 49 + QG1 VAL 126 OK 80 96 95 88 3.7-5.1 3.2/11785=53...(8) H LEU 69 - QG1 VAL 126 far 0 99 0 - 4.8-6.2 H ASP 131 - QG1 VAL 126 far 0 83 0 - 5.7-6.5 H LEU 43 - QG1 VAL 126 far 0 100 0 - 6.7-7.8 H LEU 96 - QG1 VAL 126 far 0 90 0 - 6.8-7.6 H SER 99 - QG1 VAL 126 far 0 100 0 - 8.9-10.0 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 2.4-2.6 3.2=100 HA ILE 129 - QG1 VAL 126 far 0 63 0 - 5.4-6.4 HB3 HIS 67 - QG1 VAL 126 far 0 63 0 - 8.2-10.0 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 - 5.9-6.7 HB3 GLU 44 - QG1 VAL 126 far 0 65 0 - 8.0-9.0 HG3 GLN 134 - QG1 VAL 126 far 0 76 0 - 8.5-10.6 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 2.7-3.5 4.3=85, 2.9/10394=74...(20) H LEU 122 - QG1 VAL 126 far 0 93 0 - 7.2-8.1 H VAL 63 - QG1 VAL 126 far 0 100 0 - 9.2-10.3 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 2.1-2.8 4.0=57, 7797/2.1=56...(21) H LEU 69 - QG2 VAL 126 far 0 99 0 - 4.5-5.7 H LEU 96 - QG2 VAL 126 far 0 90 0 - 4.8-5.5 H LEU 49 - QG2 VAL 126 far 0 96 0 - 4.9-6.4 H SER 99 - QG2 VAL 126 far 0 100 0 - 6.3-7.4 H ASP 131 - QG2 VAL 126 far 0 83 0 - 7.5-8.0 H LEU 43 - QG2 VAL 126 far 0 100 0 - 8.7-9.7 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 2.1-2.4 3.2=100 HA ILE 129 - QG2 VAL 126 far 0 63 0 - 6.1-7.3 HB3 HIS 67 - QG2 VAL 126 far 0 63 0 - 7.1-9.0 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 6 assignments used, quality = 1.00: * HB VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 128 - QG2 VAL 126 far 0 73 0 - 6.1-6.8 HB2 GLU 102 - QG2 VAL 126 far 0 76 0 - 9.3-11.5 HG3 GLU 91 - QG2 VAL 126 far 0 100 0 - 9.5-10.3 HB3 GLN 61 - QG2 VAL 126 far 0 100 0 - 9.5-11.1 HB3 GLU 44 - QG2 VAL 126 far 0 65 0 - 9.8-10.7 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 3.7-4.2 4.4=83, 4020/2.1=71...(24) H LEU 122 - QG2 VAL 126 far 0 93 0 - 5.0-6.3 H VAL 63 - QG2 VAL 126 far 0 100 0 - 8.1-9.0 Violated in 4 structures by 0.01 A. Peak 4027 from cnoeabs.peaks (8.20, 3.97, 58.71 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA GLN 127 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 122 - HA GLN 127 far 0 93 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 4028 from cnoeabs.peaks (3.97, 3.97, 58.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 127 + HA GLN 127 OK 100 100 - 100 HA GLU 91 + HA GLU 91 OK 70 70 - 100 Peak 4029 from cnoeabs.peaks (2.06, 3.97, 58.71 ppm; 3.64 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 91 + HA GLU 91 OK 48 48 100 100 2.3-2.8 3.0=100 HB2 GLU 128 - HA GLN 127 far 0 73 0 - 5.5-6.2 HB2 GLU 128 - HA GLU 91 far 0 48 0 - 7.6-10.5 HG3 GLN 134 - HA GLN 127 far 0 71 0 - 7.9-11.4 HG3 ARG 135 - HA GLN 127 far 0 73 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (2.23, 3.97, 58.71 ppm; 3.80 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 91 + HA GLU 91 OK 76 76 100 100 3.7-3.9 3.9=95, 1.8/2884=76...(15) HB3 GLU 128 - HA GLN 127 far 0 100 0 - 5.5-6.6 HB3 LEU 96 - HA GLN 127 far 0 97 0 - 7.8-9.0 HB3 GLU 128 - HA GLU 91 far 0 76 0 - 8.1-10.5 HB3 LEU 96 - HA GLU 91 far 0 71 0 - 8.1-9.6 HB3 GLU 97 - HA GLU 91 far 0 71 0 - 9.5-11.4 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 2.0-3.5 3.8=100 HG2 GLU 128 - HA GLN 127 far 0 83 0 - 5.8-7.7 HG2 GLU 128 - HA GLU 91 far 0 56 0 - 7.2-9.1 HB VAL 77 - HA GLU 91 far 0 56 0 - 8.5-10.0 HB3 GLN 134 - HA GLN 127 far 0 71 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 4032 from cnoeabs.peaks (2.49, 3.97, 58.71 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.1-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 4035 from cnoeabs.peaks (7.88, 3.97, 58.71 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLN 127 OK 100 100 100 100 3.5-3.5 3.6=100 H ALA 88 - HA GLU 91 far 0 42 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (8.04, 3.97, 58.71 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HA GLN 127 OK 100 100 100 100 3.7-4.2 7878=92, 3.9/4181=60...(11) H CYS 125 - HA GLN 127 far 0 99 0 - 6.5-6.9 H LEU 48 - HA GLN 127 far 0 97 0 - 7.2-9.2 H ALA 52 - HA GLN 127 far 0 99 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4037 from cnoeabs.peaks (3.82, 3.97, 58.71 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.87: * HB2 SER 130 + HA GLN 127 OK 63 100 65 97 3.1-5.7 1.8/4181=89...(6) HB2 SER 50 + HA GLN 127 OK 43 90 65 73 3.9-6.3 10419/5.6=24...(9) HA ARG 90 + HA GLU 91 OK 39 41 100 95 4.8-4.9 4.8=68, ~7223=34...(11) HA LEU 123 - HA GLN 127 far 0 68 0 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 4038 from cnoeabs.peaks (3.77, 3.97, 58.71 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 130 + HA GLN 127 OK 100 100 100 100 2.9-4.9 4181=100, 3.9/4036=50...(7) HA ARG 90 + HA GLU 91 OK 54 56 100 97 4.8-4.9 4.8=70, ~7223=35...(11) HA SER 130 - HA GLN 127 far 0 99 0 - 5.7-6.6 HA LEU 43 - HA GLN 127 far 0 99 0 - 6.1-7.9 Violated in 1 structures by 0.00 A. Peak 4039 from cnoeabs.peaks (4.24, 2.06, 27.80 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 124 + HB2 GLN 127 OK 100 100 100 100 2.3-4.1 3966=100, 4049/1.8=90...(8) HA SER 51 - HB2 GLN 127 far 0 73 0 - 9.4-11.5 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 2.1-3.5 4.0=95, 7814/1.8=82...(22) H VAL 63 - HG3 PRO 58 far 0 76 0 - 7.7-8.3 H LEU 122 - HB2 GLN 127 far 0 93 0 - 8.6-10.5 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 7 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.7-3.0 3.0=100 HA3 GLY 111 - HG3 PRO 58 far 5 49 10 - 4.2-15.3 HA SER 50 - HB2 GLN 127 far 0 65 0 - 4.9-7.8 HB2 SER 124 - HB2 GLN 127 far 0 68 0 - 5.0-6.8 HB3 SER 107 - HG3 PRO 58 far 0 73 0 - 8.2-14.4 HA3 GLY 111 - HG3 PRO 113 far 0 42 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 54 0 - 8.4-13.1 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 - 4.6-6.1 HB3 LEU 96 - HB2 GLN 127 far 0 97 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (2.35, 2.06, 27.80 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 128 - HB2 GLN 127 far 0 83 0 - 4.5-7.4 HB3 GLN 134 - HB2 GLN 127 far 0 71 0 - 9.3-13.0 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 2 assignments used, quality = 1.00: * HG3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 55 - HG3 PRO 58 far 0 55 0 - 9.7-12.6 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 3.3-5.1 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 1.9-4.5 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 3.0-3.6 4058/1.8=76, 4.7=74...(20) H THR 115 - HG3 PRO 113 poor 15 51 30 - 2.7-7.2 Violated in 0 structures by 0.00 A. Peak 4049 from cnoeabs.peaks (4.24, 2.23, 27.80 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 124 + HB3 GLN 127 OK 100 100 100 100 2.1-4.4 3966/1.8=89...(10) HA SER 51 - HB3 GLN 127 far 0 73 0 - 9.5-11.6 Violated in 1 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 2.1-3.5 7814=100, 4040/1.8=74...(26) H LEU 122 - HB3 GLN 127 far 0 93 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 4051 from cnoeabs.peaks (3.97, 2.23, 27.80 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 124 - HB3 GLN 127 far 0 68 0 - 4.7-7.1 HA SER 50 - HB3 GLN 127 far 0 65 0 - 5.4-8.0 Violated in 0 structures by 0.00 A. Peak 4052 from cnoeabs.peaks (2.06, 2.23, 27.80 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 128 - HB3 GLN 127 far 0 73 0 - 4.5-6.4 HG3 GLN 134 - HB3 GLN 127 far 0 71 0 - 8.9-13.9 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 3 assignments used, quality = 1.00: * HG2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 - HB3 GLN 127 far 0 83 0 - 5.3-7.4 HB3 GLN 134 - HB3 GLN 127 far 0 71 0 - 9.1-13.7 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 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4056 from cnoeabs.peaks (6.82, 2.23, 27.80 ppm; 6.23 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HB3 GLN 127 OK 100 100 100 100 3.9-5.3 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 2 assignments used, quality = 1.00: * HE22 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.3-4.6 4.5=100 H GLN 134 - HB3 GLN 127 far 0 98 0 - 9.5-11.9 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 3.0-3.8 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; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.7-3.9 4068/1.8=73, 7815=71...(23) H LEU 122 - HG2 GLN 127 far 0 93 0 - 8.6-10.7 Violated in 9 structures by 0.05 A. Peak 4060 from cnoeabs.peaks (3.97, 2.35, 33.92 ppm; 3.52 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.0-3.5 3.8=82, 3.0/4062=67...(17) HA SER 50 + HG2 GLN 127 OK 25 65 50 76 3.6-5.8 11874/11579=34...(9) HB2 SER 124 - HG2 GLN 127 far 0 68 0 - 6.2-8.8 HA VAL 20 - HG2 GLN 27 far 0 62 0 - 7.6-17.7 HB3 SER 51 - HG2 GLN 127 far 0 96 0 - 8.0-9.7 HB2 SER 51 - HG2 GLN 127 far 0 65 0 - 8.4-10.2 HA3 GLY 17 - HG3 GLN 27 far 0 81 0 - 9.1-21.5 HA VAL 20 - HG3 GLN 27 far 0 61 0 - 9.1-16.9 HA2 GLY 17 - HG3 GLN 27 far 0 81 0 - 9.3-21.1 HA GLN 68 - HG2 GLN 27 far 0 56 0 - 9.8-25.3 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 6 assignments used, quality = 1.00: * HB2 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.4-3.0 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 far 0 73 0 - 6.7-8.0 QE MET 11 - HG3 GLN 27 far 0 70 0 - 9.3-30.8 HG3 GLN 134 - HG2 GLN 127 far 0 71 0 - 9.4-13.5 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 5 assignments used, quality = 1.00: * HB3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 128 - HG2 GLN 127 far 0 100 0 - 6.9-8.2 HB3 LEU 96 - HG2 GLN 127 far 0 97 0 - 8.1-10.5 HB2 GLN 68 - HG2 GLN 27 far 0 83 0 - 9.1-26.0 HB2 GLN 68 - HG3 GLN 27 far 0 81 0 - 9.4-26.6 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 1 assignment used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HE21 GLN 127 + HG2 GLN 127 OK 100 100 100 100 3.4-4.1 3.5=100 QE TYR 72 - HG2 GLN 27 far 0 76 0 - 9.8-19.8 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 2.1-3.5 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 4.7-5.2 3.6/4060=100...(19) 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 2.9-3.9 7816=79, 4059/1.8=75...(23) H LEU 122 - HG3 GLN 127 far 0 93 0 - 8.4-10.1 Violated in 2 structures by 0.01 A. Peak 4069 from cnoeabs.peaks (3.97, 2.49, 33.92 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.1-3.6 3.8=94, 4060/1.8=85...(17) HA SER 50 + HG3 GLN 127 OK 36 65 70 78 3.0-5.2 11874/10437=39...(10) HB2 SER 124 - HG3 GLN 127 far 0 68 0 - 6.3-7.7 HB3 SER 51 - HG3 GLN 127 far 0 96 0 - 8.0-9.9 HB2 SER 51 - HG3 GLN 127 far 0 65 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 4070 from cnoeabs.peaks (2.06, 2.49, 33.92 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 128 - HG3 GLN 127 far 0 73 0 - 6.7-7.9 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 2.2-3.0 3.0=100 HB3 GLU 128 - HG3 GLN 127 far 0 100 0 - 6.6-8.3 HB3 LEU 96 - HG3 GLN 127 far 0 97 0 - 8.3-10.3 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 3 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 - 6.5-9.4 HB3 GLN 134 - HG3 GLN 127 far 0 71 0 - 10.0-14.1 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 3.5-4.1 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 2.2-3.5 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 4.9-5.3 3.2/4068=95, 4048/3.0=93...(19) 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 2.8-2.9 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 66 73 95 95 4.0-5.0 ~4058=36, 4048/2.9=34...(15) HG3 GLN 134 - HA GLU 128 far 0 100 0 - 7.2-10.7 HB VAL 126 - HA GLU 128 far 0 73 0 - 7.5-7.9 HG3 GLU 91 - HA GLU 128 far 0 63 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 4080 from cnoeabs.peaks (2.22, 4.20, 59.03 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 127 + HA GLU 128 OK 24 100 25 97 4.0-5.0 4058/2.9=51, ~4048=34...(15) HG2 GLU 91 - HA GLU 128 far 0 100 0 - 6.9-9.1 HB3 LEU 96 - HA GLU 128 far 0 97 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (2.37, 4.20, 59.03 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.9-4.1 3.9=100 HG2 GLN 127 - HA GLU 128 far 0 83 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 4082 from cnoeabs.peaks (2.42, 4.20, 59.03 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.0-3.8 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 3.2-3.6 7904/4086=79...(12) H VAL 126 - HA GLU 128 far 0 83 0 - 6.8-7.1 H LEU 96 - HA GLU 128 far 0 100 0 - 9.5-10.4 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 2.3-4.3 4195=100, 1.8/4086=88...(15) Violated in 3 structures by 0.01 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 2.2-3.8 4201=100, 1.8/4195=84...(15) HE3 LYS 95 - HA GLU 128 far 0 93 0 - 9.0-14.0 HE2 LYS 95 - HA GLU 128 far 0 93 0 - 9.6-14.1 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 12 assignments used, quality = 1.00: * HA CYS 125 + HB2 GLU 128 OK 100 100 100 100 2.6-3.8 3986=100, 11698/3.0=66...(15) HA ASN 59 - HB2 GLN 61 far 2 44 5 - 4.8-6.8 HA PRO 81 - HB3 GLN 82 far 2 41 5 - 5.2-6.4 HA GLN 134 - HB3 GLN 82 far 0 53 0 - 6.1-12.4 HA ASP 47 - HB3 GLU 44 far 0 92 0 - 7.4-8.5 HA LEU 69 - HB3 GLU 44 far 0 69 0 - 7.4-9.6 HA LYS 24 - HB2 GLN 61 far 0 45 0 - 7.6-40.7 HA LYS 24 - HB3 GLU 44 far 0 79 0 - 7.8-31.8 HA PRO 117 - HB2 GLU 102 far 0 88 0 - 8.3-11.9 HA PRO 113 - HB2 GLN 61 far 0 50 0 - 8.8-14.0 HA ASN 59 - HB2 GLU 102 far 0 72 0 - 9.3-12.5 HA ASP 47 - HB2 GLU 128 far 0 96 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 4088 from cnoeabs.peaks (7.88, 2.08, 28.41 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.1-3.1 3.6=100 H ALA 41 + HB3 GLU 44 OK 67 97 70 99 4.4-6.8 2.9/1409=64, ~9064=24...(22) H SER 106 - HB2 GLU 102 far 9 87 10 - 4.7-6.6 H GLN 104 - HB2 GLU 102 far 4 89 5 - 4.8-6.7 H ALA 88 - HB3 GLN 82 far 0 28 0 - 7.5-9.9 H ALA 88 - HB2 GLU 128 far 0 65 0 - 8.6-11.4 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 9 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 71 72 100 98 2.3-4.4 3207/1.8=57...(10) HB THR 83 - HB3 GLN 82 far 0 27 0 - 5.8-6.9 HB THR 25 - HB2 GLN 61 far 0 62 0 - 6.0-39.8 HA ALA 88 - HB2 GLU 128 far 0 99 0 - 6.6-9.2 HA LEU 53 - HB2 GLN 61 far 0 48 0 - 6.9-11.1 HB3 SER 38 - HB3 GLU 44 far 0 64 0 - 7.8-10.9 HA VAL 105 - HB2 GLU 102 far 0 93 0 - 7.9-8.5 HB THR 25 - HB3 GLU 44 far 0 97 0 - 8.4-31.7 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 12 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 HG2 GLU 91 - HB2 GLU 128 far 0 100 0 - 4.4-7.9 HB3 GLN 127 - HB2 GLU 128 far 0 100 0 - 4.5-6.4 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-7.2 HB2 PRO 81 - HB3 GLN 82 far 0 24 0 - 5.2-6.9 HB3 LEU 96 - HB2 GLU 128 far 0 97 0 - 5.8-7.3 HB3 GLN 104 - HB2 GLU 102 far 0 95 0 - 6.9-9.3 HB2 GLN 68 - HB3 GLU 44 far 0 97 0 - 7.6-10.6 HB3 GLU 97 - HB2 GLU 102 far 0 91 0 - 8.0-11.0 HG2 GLN 68 - HB3 GLU 44 far 0 97 0 - 8.3-10.8 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 2.2-3.0 3.0=100 HG3 GLU 40 - HB3 GLU 44 far 4 77 5 - 4.6-8.8 HG2 GLN 104 - HB2 GLU 102 far 0 93 0 - 5.9-6.9 HG2 GLN 127 - HB2 GLU 128 far 0 83 0 - 6.7-8.0 HG3 GLU 55 - HB2 GLN 61 far 0 39 0 - 7.6-12.8 HB2 PRO 117 - HB2 GLU 102 far 0 87 0 - 8.9-12.1 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 2.2-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 39 39 100 100 2.4-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 39 95 60 68 3.0-7.8 7450/7455=49...(8) HG3 GLN 82 + HB3 GLN 82 OK 27 27 100 100 2.3-3.0 2.9=100 HB3 PRO 58 - HB2 GLN 61 far 9 58 15 - 4.7-6.1 HG3 GLU 40 - HB3 GLU 44 far 3 59 5 - 4.6-8.8 HG3 GLU 55 - HB2 GLN 61 far 0 37 0 - 7.6-12.8 HG3 GLU 97 - HB2 GLU 102 far 0 95 0 - 7.9-12.6 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 8 assignments used, quality = 1.00: * H ILE 129 + HB2 GLU 128 OK 100 100 100 100 2.3-3.6 7864=100, 7855/3.6=61...(18) H VAL 57 - HB2 GLN 61 far 0 62 0 - 6.0-8.1 H SER 38 - HB3 GLU 44 far 0 77 0 - 6.8-9.3 H ALA 52 - HB2 GLN 61 far 0 36 0 - 7.0-9.8 H SER 94 - HB2 GLU 128 far 0 97 0 - 8.0-10.2 H SER 51 - HB2 GLN 61 far 0 47 0 - 9.3-11.9 H LYS 36 - HB3 GLU 44 far 0 96 0 - 9.3-14.3 H SER 51 - HB3 GLU 44 far 0 81 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (4.35, 2.22, 28.41 ppm; 4.60 A): 2 out of 6 assignments used, quality = 1.00: * HA CYS 125 + HB3 GLU 128 OK 100 100 100 100 2.6-5.4 3986/1.8=94...(15) HA LEU 69 + HB2 GLN 68 OK 43 62 70 100 4.2-5.6 2.9/2139=61...(26) HA LEU 69 - HB3 GLU 97 far 0 48 0 - 8.2-11.7 HA PRO 117 - HB3 GLU 102 far 0 86 0 - 8.8-11.7 HA ASN 59 - HB3 GLU 102 far 0 70 0 - 9.6-12.7 HA LYS 24 - HB2 GLN 68 far 0 71 0 - 9.8-30.6 Violated in 0 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (7.88, 2.22, 28.41 ppm; 4.12 A): 3 out of 9 assignments used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.1-3.6 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 49 85 75 77 3.4-6.2 11781/3.0=41...(8) H GLN 104 - HB3 GLU 102 far 4 87 5 - 4.7-6.5 H GLN 68 - HB3 GLU 97 far 0 53 0 - 8.1-11.5 H ALA 88 - HB3 GLU 128 far 0 65 0 - 8.5-11.1 H GLN 104 - HB3 GLU 97 far 0 69 0 - 8.5-10.6 H ALA 41 - HB2 GLN 68 far 0 90 0 - 9.5-12.9 H SER 106 - HB3 GLU 97 far 0 66 0 - 9.6-13.7 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 10 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HA SER 99 + HB3 GLU 102 OK 66 70 95 99 2.4-5.3 3207=71, 3332/1.8=70...(10) HA HIS 67 - HB3 GLU 97 far 5 53 10 - 4.9-8.0 HA HIS 67 - HB2 GLN 68 far 0 69 0 - 5.5-6.6 HA ALA 88 - HB3 GLU 128 far 0 99 0 - 6.6-9.0 HA VAL 105 - HB3 GLU 102 far 0 92 0 - 6.9-8.4 HA SER 99 - HB3 GLU 97 far 0 53 0 - 7.4-8.5 HA GLU 30 - HB2 GLN 68 far 0 50 0 - 9.1-22.8 HA ALA 34 - HB2 GLN 68 far 0 52 0 - 9.4-14.1 HB THR 25 - HB2 GLN 68 far 0 91 0 - 9.5-29.8 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 13 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 HB VAL 118 - HB3 GLU 102 far 0 64 0 - 4.5-7.8 HB2 GLN 127 - HB3 GLU 128 far 0 73 0 - 4.6-6.1 HG3 GLU 91 - HB3 GLU 128 far 0 63 0 - 5.6-7.5 HG2 PRO 117 - HB3 GLU 102 far 0 56 0 - 6.0-8.9 HB VAL 126 - HB3 GLU 128 far 0 73 0 - 6.7-8.6 HB3 GLU 44 - HB2 GLN 68 far 0 91 0 - 7.6-10.6 HB2 GLU 102 - HB3 GLU 97 far 0 75 0 - 8.0-11.0 HB2 LEU 62 - HB3 GLU 102 far 0 64 0 - 8.8-12.5 HG3 GLN 134 - HB3 GLU 128 far 0 100 0 - 9.2-12.4 HB2 LEU 62 - HB2 GLN 68 far 0 62 0 - 9.9-12.6 HB VAL 126 - HB3 GLU 97 far 0 48 0 - 10.0-11.6 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 9 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 GLN 104 - HB3 GLU 102 far 0 91 0 - 6.2-7.2 HG2 GLN 127 - HB3 GLU 128 far 0 83 0 - 6.9-8.2 HG2 GLN 104 - HB3 GLU 97 far 0 73 0 - 7.5-10.7 HG2 GLU 102 - HB3 GLU 97 far 0 62 0 - 7.8-11.4 HB2 PRO 117 - HB3 GLU 102 far 0 85 0 - 9.0-11.7 HG2 GLN 27 - HB2 GLN 68 far 0 66 0 - 9.1-26.0 HG3 GLN 27 - HB2 GLN 68 far 0 78 0 - 9.4-26.6 Violated in 0 structures by 0.00 A. Peak 4101 from cnoeabs.peaks (2.42, 2.22, 28.41 ppm; 3.95 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 97 + HB3 GLU 97 OK 75 75 100 100 2.3-3.0 2.9=100 HG2 GLN 101 + HB3 GLU 102 OK 21 93 40 57 4.5-8.1 7450/3.8=43, 4093/1.8=11...(6) HG2 GLN 101 - HB3 GLU 97 poor 13 75 35 50 3.6-6.8 3112/3.0=14...(11) HG3 GLN 61 - HB2 GLN 68 far 0 89 0 - 8.9-14.0 HG3 GLU 97 - HB3 GLU 102 far 0 93 0 - 9.4-12.9 HG3 GLU 97 - HB2 GLN 68 far 0 92 0 - 9.7-14.4 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 2.8-4.3 4.5=100 H SER 94 - HB3 GLU 97 far 0 69 0 - 5.7-7.4 H SER 94 - HB3 GLU 128 far 0 97 0 - 7.9-10.7 H SER 38 - HB2 GLN 68 far 0 69 0 - 8.6-12.3 H LYS 36 - HB2 GLN 68 far 0 89 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 4103 from cnoeabs.peaks (7.88, 2.37, 34.22 ppm; 3.58 A): 2 out of 5 assignments used, quality = 0.98: * H GLU 128 + HG2 GLU 128 OK 90 100 90 100 2.3-4.7 4110/1.8=64, 2.9/4104=52...(18) H GLN 104 + HG2 GLN 104 OK 77 77 100 100 1.6-3.0 7495=84, 7496/1.8=73...(23) H SER 106 - HG2 GLN 104 poor 19 74 35 75 4.2-5.6 7535/7525=32...(10) H ALA 88 - HG2 GLU 128 far 0 65 0 - 7.5-11.0 H GLN 68 - HG2 GLN 104 far 0 60 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (4.20, 2.37, 34.22 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.9-4.1 4104=92, 4111/1.8=75...(19) HA VAL 105 + HG2 GLN 104 OK 27 81 35 94 3.2-5.8 3.0/7525=39...(11) HA ALA 88 - HG2 GLU 128 far 0 99 0 - 5.6-8.8 HA HIS 67 - HG2 GLN 104 far 0 60 0 - 6.4-9.6 HA SER 99 - HG2 GLN 104 far 0 60 0 - 7.3-8.6 Violated in 7 structures by 0.04 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 3 63 5 - 4.0-6.8 HB2 GLN 127 - HG2 GLU 128 far 0 73 0 - 4.5-7.4 HB2 GLU 102 - HG2 GLN 104 far 0 83 0 - 5.9-6.9 HB VAL 126 - HG2 GLU 128 far 0 73 0 - 6.2-9.5 HB VAL 118 - HG2 GLN 104 far 0 54 0 - 7.6-9.6 HG3 GLN 134 - HG2 GLU 128 far 0 100 0 - 8.1-13.4 HB2 LEU 62 - HG2 GLN 104 far 0 54 0 - 8.2-9.8 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 100 100 100 100 2.3-3.0 3.0=97, 3.0/4104=34...(10) HB3 GLN 104 + HG2 GLN 104 OK 82 83 100 100 2.6-3.0 3.0=96, 3.0/3416=36...(21) HB2 GLN 101 - HG2 GLN 104 far 3 64 5 - 3.5-5.5 HG2 GLU 91 - HG2 GLU 128 far 0 100 0 - 3.9-6.4 HB3 LEU 96 - HG2 GLU 128 far 0 97 0 - 5.3-8.7 HB3 GLN 127 - HG2 GLU 128 far 0 100 0 - 5.3-7.4 HB3 GLU 102 - HG2 GLN 104 far 0 82 0 - 6.2-7.2 HB3 GLU 97 - HG2 GLN 104 far 0 79 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 4107 from cnoeabs.peaks (2.37, 2.37, 34.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 HG2 GLN 104 + HG2 GLN 104 OK 80 80 - 100 Peak 4108 from cnoeabs.peaks (2.42, 2.37, 34.22 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 101 - HG2 GLN 104 far 0 83 0 - 4.5-6.7 HG3 GLU 97 - HG2 GLN 104 far 0 83 0 - 9.3-11.6 HG3 GLU 97 - HG2 GLU 128 far 0 100 0 - 9.5-14.3 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 2.8-4.8 4109=90, 4116/1.8=80...(17) H SER 94 - HG2 GLU 128 far 0 97 0 - 7.6-9.5 Violated in 1 structures by 0.01 A. Peak 4110 from cnoeabs.peaks (7.88, 2.42, 34.22 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.4-4.1 7854=75, 2.9/4111=64...(17) H ALA 88 - HG3 GLU 128 far 0 65 0 - 7.6-11.2 Violated in 7 structures by 0.02 A. Peak 4111 from cnoeabs.peaks (4.20, 2.42, 34.22 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.0-3.8 4082=90, 4104/1.8=69...(19) HA ALA 88 - HG3 GLU 128 far 0 99 0 - 5.9-9.2 Violated in 6 structures by 0.02 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 HB2 GLN 127 - HG3 GLU 128 far 4 73 5 - 3.9-7.0 HG3 GLU 91 - HG3 GLU 128 far 0 63 0 - 5.0-7.6 HB VAL 126 - HG3 GLU 128 far 0 73 0 - 6.9-9.0 HG3 GLN 134 - HG3 GLU 128 far 0 100 0 - 8.8-12.6 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 2.6-3.0 3.0=100 HB3 GLN 127 - HG3 GLU 128 far 0 100 0 - 4.3-7.2 HG2 GLU 91 - HG3 GLU 128 far 0 100 0 - 4.6-7.1 HB3 LEU 96 - HG3 GLU 128 far 0 97 0 - 5.8-9.2 Violated in 0 structures by 0.00 A. Peak 4114 from cnoeabs.peaks (2.37, 2.42, 34.22 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 127 - HG3 GLU 128 far 0 83 0 - 6.5-9.1 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 2.6-4.9 4109/1.8=77, 7864/3.0=72...(16) H SER 94 - HG3 GLU 128 far 0 97 0 - 7.5-10.7 Violated in 2 structures by 0.03 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 - 7.5-8.4 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 3.0-3.0 3.0=100 HB2 GLU 91 - HA ILE 129 far 0 99 0 - 7.8-9.1 HG2 ARG 90 - HA ILE 129 far 0 83 0 - 7.8-9.3 HB2 GLN 134 - HA ILE 129 far 0 87 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 4120 from cnoeabs.peaks (0.82, 3.46, 66.06 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 100 100 2.0-2.5 3.2=100 QG1 VAL 133 + HA ILE 129 OK 44 92 50 96 3.6-6.8 2.1/10566=58...(18) HG13 ILE 80 - HA ILE 129 far 0 100 0 - 7.7-9.0 QG2 ILE 80 - HA ILE 129 far 0 99 0 - 7.8-9.1 QD2 LEU 49 - HA ILE 129 far 0 71 0 - 8.0-11.0 QD1 LEU 70 - HA ILE 129 far 0 100 0 - 8.2-11.3 QD1 LEU 122 - HA ILE 129 far 0 92 0 - 9.0-11.9 QD1 LEU 53 - HA ILE 129 far 0 63 0 - 9.6-12.9 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 2.2-3.4 3.7=100 QD2 LEU 96 - HA ILE 129 far 15 100 15 - 4.8-6.1 QD2 LEU 43 - HA ILE 129 far 0 100 0 - 5.6-6.2 QG1 VAL 93 - HA ILE 129 far 0 100 0 - 6.2-7.2 QD1 LEU 96 - HA ILE 129 far 0 78 0 - 7.2-8.1 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 3.1-3.9 3.7=100 HG3 ARG 90 - HA ILE 129 far 0 96 0 - 7.8-9.6 HB ILE 80 - HA ILE 129 far 0 99 0 - 9.0-10.7 HB2 LEU 43 - HA ILE 129 far 0 89 0 - 9.7-10.6 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 2.0-3.6 4.2=94, 4163/3.2=79...(28) QD1 LEU 42 - HA ILE 129 far 0 99 0 - 5.5-7.0 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (8.04, 3.46, 66.06 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HA ILE 129 OK 100 100 100 100 3.6-3.6 3.6=100 H CYS 125 - HA ILE 129 far 0 99 0 - 8.5-9.5 H TYR 76 - HA ILE 129 far 0 99 0 - 9.4-10.8 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 3.1-3.8 7909=100, 7917/4126=80...(28) H LEU 70 - HA ILE 129 far 0 99 0 - 9.1-12.0 H GLU 97 - HA ILE 129 far 0 63 0 - 9.3-10.5 H ASP 47 - HA ILE 129 far 0 92 0 - 9.5-10.9 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 2.8-4.0 4213=99, 2.1/10477=85...(25) HG2 GLU 97 - HA ILE 129 far 0 98 0 - 9.5-12.9 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 2.7-3.8 4007=100, 10402/3.2=84...(24) HA ILE 129 + HB ILE 129 OK 63 63 100 100 3.0-3.0 3.0=100 HA VAL 77 - HB ILE 129 far 0 93 0 - 9.1-10.3 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 2.4-3.0 3.8=100 H SER 94 - HB ILE 129 far 0 97 0 - 8.1-9.1 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 3.0-3.0 3.0=100 HA VAL 126 + HB ILE 129 OK 63 63 100 100 2.7-3.8 3.2/11618=78, 4007=49...(23) HA LEU 42 - HB ILE 129 far 0 93 0 - 6.7-8.3 HA VAL 77 - HB ILE 129 far 0 93 0 - 9.1-10.3 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): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HB ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 133 + HB ILE 129 OK 44 92 50 97 3.8-7.1 10585/9086=39, ~10566=34...(15) QD2 LEU 49 - HB ILE 129 far 0 71 0 - 5.7-8.8 QD1 LEU 70 - HB ILE 129 far 0 100 0 - 7.3-10.0 QD1 LEU 122 - HB ILE 129 far 0 92 0 - 7.4-10.2 QD1 LEU 53 - HB ILE 129 far 0 63 0 - 7.8-11.7 QG2 ILE 80 - HB ILE 129 far 0 99 0 - 9.1-10.8 HG13 ILE 80 - HB ILE 129 far 0 100 0 - 9.2-10.5 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 2.4-3.0 2.9=100 QD2 LEU 96 + HB ILE 129 OK 100 100 100 100 3.8-4.5 4164/3.2=43...(27) QD2 LEU 43 + HB ILE 129 OK 75 100 85 89 4.5-5.6 9129/9086=51...(5) QD1 LEU 96 - HB ILE 129 far 4 78 5 - 5.3-6.6 QG1 VAL 93 - HB ILE 129 far 0 100 0 - 6.0-6.6 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 3 assignments used, quality = 1.00: * HG13 ILE 129 + HB ILE 129 OK 100 100 100 100 2.4-2.9 2.9=100 HB2 LEU 43 - HB ILE 129 far 0 89 0 - 7.7-9.3 HG3 ARG 90 - HB ILE 129 far 0 96 0 - 8.9-11.5 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 35 99 35 100 4.6-5.8 2.1/9086=67, ~10486=60...(12) 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 2.1-2.5 7883=100, 4143/2.1=88...(19) H CYS 125 - HB ILE 129 far 0 99 0 - 7.2-8.8 H LEU 48 - HB ILE 129 far 0 97 0 - 8.9-10.7 H TYR 76 - HB ILE 129 far 0 99 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (8.00, 0.82, 16.92 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 129 + QG2 ILE 129 OK 100 100 100 100 3.6-3.8 4.0=100 H SER 94 - QG2 ILE 129 far 0 97 0 - 5.8-7.1 H SER 38 - QG2 ILE 129 far 0 81 0 - 8.0-10.7 H SER 38 - QG2 ILE 80 far 0 49 0 - 9.6-11.8 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 2.0-2.5 3.2=100 HA VAL 126 + QG2 ILE 129 OK 59 63 95 99 3.9-4.8 4161/4163=29, ~11618=28...(29) HA VAL 77 + QG2 ILE 80 OK 54 60 90 100 4.1-4.7 9643/3.1=48...(40) HA LEU 42 - QG2 ILE 129 far 0 93 0 - 5.3-6.4 HA VAL 77 - QG2 ILE 129 far 0 93 0 - 5.6-6.6 HA ILE 129 - QG2 ILE 80 far 0 70 0 - 7.8-9.1 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 11 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 61 69 90 99 3.1-4.6 11168/3.2=36...(30) HG2 ARG 90 - QG2 ILE 129 far 0 83 0 - 5.8-7.1 HG2 ARG 90 - QG2 ILE 80 far 0 51 0 - 5.9-7.2 HB2 GLN 134 - QG2 ILE 129 far 0 87 0 - 7.2-9.8 HB2 GLU 91 - QG2 ILE 129 far 0 99 0 - 7.7-9.2 HG2 PRO 81 - QG2 ILE 129 far 0 100 0 - 8.7-11.9 HB2 GLU 44 - QG2 ILE 129 far 0 81 0 - 8.7-10.6 HB2 GLN 134 - QG2 ILE 80 far 0 54 0 - 8.8-10.5 HB2 GLU 91 - QG2 ILE 80 far 0 66 0 - 9.0-10.7 HB ILE 129 - QG2 ILE 80 far 0 70 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 4139 from cnoeabs.peaks (0.82, 0.82, 16.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 129 + QG2 ILE 129 OK 100 100 - 100 QG2 ILE 80 + QG2 ILE 80 OK 66 66 - 100 Peak 4140 from cnoeabs.peaks (0.75, 0.82, 16.92 ppm; 2.82 A): 2 out of 11 assignments used, quality = 0.99: * HG12 ILE 129 + QG2 ILE 129 OK 98 100 100 98 2.7-3.2 3.2=69, 2.1/4163=60...(19) QD2 LEU 96 + QG2 ILE 129 OK 63 100 75 84 2.9-4.4 4164/4163=24...(28) QD2 LEU 43 - QG2 ILE 129 far 5 100 5 - 3.5-5.1 QG1 VAL 93 - QG2 ILE 129 far 0 100 0 - 3.8-5.0 QD1 LEU 96 - QG2 ILE 129 far 0 78 0 - 4.9-6.3 QD2 LEU 43 - QG2 ILE 80 far 0 68 0 - 7.0-8.9 QD1 ILE 37 - QG2 ILE 129 far 0 60 0 - 8.2-9.4 QG1 VAL 93 - QG2 ILE 80 far 0 70 0 - 8.7-9.6 HG12 ILE 129 - QG2 ILE 80 far 0 70 0 - 8.9-11.7 QD1 ILE 37 - QG2 ILE 80 far 0 35 0 - 9.7-11.5 QD2 LEU 96 - QG2 ILE 80 far 0 69 0 - 9.9-11.1 Violated in 14 structures by 0.04 A. Peak 4141 from cnoeabs.peaks (1.74, 0.82, 16.92 ppm; 3.71 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 129 + QG2 ILE 129 OK 100 100 100 100 1.9-2.4 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 - 5.7-7.7 HG3 ARG 90 - QG2 ILE 80 far 0 62 0 - 6.6-8.6 HB2 LEU 43 - QG2 ILE 129 far 0 89 0 - 6.8-8.0 HB ILE 80 - QG2 ILE 129 far 0 99 0 - 7.2-8.2 HB2 LYS 39 - QG2 ILE 80 far 0 55 0 - 7.5-9.7 HG13 ILE 129 - QG2 ILE 80 far 0 70 0 - 8.4-11.4 HB2 LYS 39 - QG2 ILE 129 far 0 89 0 - 8.4-9.9 HB2 LEU 43 - QG2 ILE 80 far 0 55 0 - 9.8-12.5 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 1.9-3.1 4163=100, 2.1/4140=40...(27) QD1 LEU 42 + QG2 ILE 129 OK 94 99 100 95 2.4-3.9 2.1/10486=57, 9083=41...(20) QD1 LEU 42 - QG2 ILE 80 far 0 67 0 - 6.7-8.0 QD1 ILE 129 - QG2 ILE 80 far 0 70 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 4143 from cnoeabs.peaks (8.04, 0.82, 16.92 ppm; 3.74 A): 1 out of 8 assignments used, quality = 1.00: * H SER 130 + QG2 ILE 129 OK 100 100 100 100 2.8-3.8 4.2=69, 7883/2.1=67...(17) H CYS 79 - QG2 ILE 80 far 0 66 0 - 4.8-5.6 H TYR 76 - QG2 ILE 129 far 0 99 0 - 5.9-7.0 H CYS 125 - QG2 ILE 129 far 0 99 0 - 7.8-9.0 H TYR 76 - QG2 ILE 80 far 0 66 0 - 8.1-8.3 H CYS 79 - QG2 ILE 129 far 0 99 0 - 8.1-8.9 H LEU 48 - QG2 ILE 129 far 0 97 0 - 8.6-9.8 H SER 130 - QG2 ILE 80 far 0 70 0 - 9.3-11.0 Violated in 1 structures by 0.00 A. Peak 4144 from cnoeabs.peaks (8.00, 0.75, 30.23 ppm; 6.21 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.6-2.9 4.8=100 H SER 94 + HG12 ILE 129 OK 24 97 25 99 6.1-8.1 7282/11717=75, ~11710=67...(10) Violated in 0 structures by 0.00 A. Peak 4145 from cnoeabs.peaks (3.46, 0.75, 30.23 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.2-3.4 3.7=100 HA VAL 126 + HG12 ILE 129 OK 63 63 100 100 1.8-4.9 ~10489=59, ~10410=55...(25) HA VAL 77 - HG12 ILE 129 far 0 93 0 - 8.0-11.3 HA LEU 42 - HG12 ILE 129 far 0 93 0 - 8.8-10.6 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 2.4-3.0 2.9=100 HB2 GLU 91 - HG12 ILE 129 far 0 99 0 - 7.1-10.5 HG2 ARG 90 - HG12 ILE 129 far 0 83 0 - 7.1-11.2 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 2.7-3.2 3.2=100 QG1 VAL 133 - HG12 ILE 129 far 14 92 15 - 4.9-8.8 QD2 LEU 49 - HG12 ILE 129 far 0 71 0 - 5.7-9.4 QD1 LEU 122 - HG12 ILE 129 far 0 92 0 - 6.3-10.6 QD1 LEU 53 - HG12 ILE 129 far 0 63 0 - 6.9-11.6 QD1 LEU 70 - HG12 ILE 129 far 0 100 0 - 7.2-9.9 HG13 ILE 80 - HG12 ILE 129 far 0 100 0 - 8.8-11.6 QG2 ILE 80 - HG12 ILE 129 far 0 99 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 4148 from cnoeabs.peaks (0.75, 0.75, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 129 + HG12 ILE 129 OK 100 100 - 100 Peak 4149 from cnoeabs.peaks (1.74, 0.75, 30.23 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 90 - HG12 ILE 129 far 0 96 0 - 6.6-11.2 HB2 LEU 43 - HG12 ILE 129 far 0 89 0 - 9.9-11.8 HB ILE 80 - HG12 ILE 129 far 0 99 0 - 10.0-13.3 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 - 5.4-7.4 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 3.3-4.7 7883/2.9=100...(12) H CYS 125 + HG12 ILE 129 OK 78 99 80 99 5.8-8.7 ~10469=80, ~10379=75...(7) H TYR 76 - HG12 ILE 129 far 0 99 0 - 8.9-12.0 H LEU 48 - HG12 ILE 129 far 0 97 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (8.00, 1.74, 30.23 ppm; 5.47 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 100 100 3.2-4.1 4.8=100 H SER 94 + HG13 ILE 129 OK 23 97 25 96 5.7-7.4 9220/11317=54...(6) 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 3.1-3.9 3.7=100 HA VAL 126 + HG13 ILE 129 OK 63 63 100 100 1.9-5.0 ~10489=54, ~10410=51...(26) HA VAL 77 - HG13 ILE 129 far 0 93 0 - 7.0-10.5 HA LEU 42 - HG13 ILE 129 far 0 93 0 - 7.9-9.3 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 2.4-2.9 2.9=100 HG2 ARG 90 - HG13 ILE 129 far 0 83 0 - 6.4-10.4 HB2 GLU 91 - HG13 ILE 129 far 0 99 0 - 7.6-10.7 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 1.9-2.4 3.2=100 QG1 VAL 133 - HG13 ILE 129 poor 18 92 20 - 4.4-8.7 QD2 LEU 49 - HG13 ILE 129 far 7 71 10 - 5.3-8.9 QD1 LEU 70 - HG13 ILE 129 far 0 100 0 - 5.8-8.8 QD1 LEU 122 - HG13 ILE 129 far 0 92 0 - 5.9-10.1 QD1 LEU 53 - HG13 ILE 129 far 0 63 0 - 7.4-12.1 QG2 ILE 80 - HG13 ILE 129 far 0 99 0 - 8.4-11.4 HG13 ILE 80 - HG13 ILE 129 far 0 100 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 4156 from cnoeabs.peaks (0.75, 1.74, 30.23 ppm; 4.14 A): 4 out of 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 1.9-3.8 4164/2.1=47, 4140/3.2=31...(27) QG1 VAL 93 + HG13 ILE 129 OK 95 100 95 100 4.0-5.3 ~9967=57, ~10487=56...(26) QD1 LEU 96 + HG13 ILE 129 OK 58 78 75 98 4.0-6.4 ~4164=31, ~11454=28...(27) QD2 LEU 43 - HG13 ILE 129 far 0 100 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (1.74, 1.74, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 129 + HG13 ILE 129 OK 100 100 - 100 Peak 4158 from cnoeabs.peaks (0.64, 1.74, 30.23 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HG13 ILE 129 far 5 99 5 - 4.3-6.3 Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (8.04, 1.74, 30.23 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HG13 ILE 129 OK 100 100 100 100 4.2-5.1 4167/2.1=99, 7883/2.9=94...(13) H CYS 125 - HG13 ILE 129 far 0 99 0 - 6.8-9.2 H TYR 76 - HG13 ILE 129 far 0 99 0 - 7.8-10.6 H LEU 48 - HG13 ILE 129 far 0 97 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 4160 from cnoeabs.peaks (8.00, 0.64, 14.39 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + QD1 ILE 129 OK 100 100 100 100 1.9-2.8 7873=100, 7872/2.1=74...(22) H SER 94 + QD1 ILE 129 OK 91 97 95 100 4.5-5.1 3.6/10461=60...(14) 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 2.0-3.6 4123=77, 3.2/4163=69...(28) HA VAL 126 + QD1 ILE 129 OK 63 63 100 100 2.0-3.2 3.2/10489=58...(26) HA VAL 77 - QD1 ILE 129 far 0 93 0 - 7.4-8.7 HA LEU 42 - QD1 ILE 129 far 0 93 0 - 7.9-9.1 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 5 assignments used, quality = 1.00: * HB ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.0-3.2 3.2=100 HG2 ARG 90 - QD1 ILE 129 far 0 83 0 - 6.4-7.7 HB2 GLU 91 - QD1 ILE 129 far 0 99 0 - 6.5-7.6 HB2 GLN 134 - QD1 ILE 129 far 0 87 0 - 8.9-11.4 HB3 LEU 53 - QD1 ILE 129 far 0 98 0 - 9.9-13.4 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 1.9-3.1 3.0=86, 4140/2.1=37...(26) QG1 VAL 133 - QD1 ILE 129 far 0 92 0 - 4.6-7.5 QD1 LEU 70 - QD1 ILE 129 far 0 100 0 - 5.0-7.3 QD2 LEU 49 - QD1 ILE 129 far 0 71 0 - 5.1-8.2 QD1 LEU 122 - QD1 ILE 129 far 0 92 0 - 5.3-7.8 QD1 LEU 53 - QD1 ILE 129 far 0 63 0 - 6.4-10.2 QG2 ILE 80 - QD1 ILE 129 far 0 99 0 - 8.0-9.4 HG13 ILE 80 - QD1 ILE 129 far 0 100 0 - 8.1-9.8 Violated in 4 structures by 0.03 A. Peak 4164 from cnoeabs.peaks (0.75, 0.64, 14.39 ppm; 2.70 A): 2 out of 6 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 1.8-3.0 11806/10461=18...(38) QG1 VAL 93 - QD1 ILE 129 far 10 100 10 - 3.6-4.0 QD1 LEU 96 - QD1 ILE 129 far 4 78 5 - 3.5-4.8 QD2 LEU 43 - QD1 ILE 129 far 0 100 0 - 6.0-6.8 QD2 LEU 103 - QD1 ILE 129 far 0 98 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 4165 from cnoeabs.peaks (1.74, 0.64, 14.39 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 90 - QD1 ILE 129 far 0 96 0 - 6.1-8.3 HB ILE 80 - QD1 ILE 129 far 0 99 0 - 8.9-10.8 HB2 LEU 43 - QD1 ILE 129 far 0 89 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 4166 from cnoeabs.peaks (0.64, 0.64, 14.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 129 + QD1 ILE 129 OK 100 100 - 100 Peak 4167 from cnoeabs.peaks (8.04, 0.64, 14.39 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + QD1 ILE 129 OK 100 100 100 100 3.7-4.5 7887=67, 4143/4163=65...(19) H CYS 125 - QD1 ILE 129 far 0 99 0 - 4.9-5.9 H TYR 76 - QD1 ILE 129 far 0 99 0 - 7.7-9.2 H LEU 48 - QD1 ILE 129 far 0 97 0 - 9.0-11.0 Violated in 18 structures by 0.39 A. Peak 4168 from cnoeabs.peaks (8.04, 3.78, 62.15 ppm; 4.15 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 97 0 - 8.7-10.0 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 2.2-2.9 3.0=100 HA GLU 40 - HA SER 130 far 0 83 0 - 7.2-9.0 HD2 PRO 81 - HA SER 130 far 0 57 0 - 8.0-12.4 HB2 SER 50 - HA SER 130 far 0 90 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 4171 from cnoeabs.peaks (3.77, 3.78, 62.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HA SER 130 + HA SER 130 OK 99 99 - 100 Reference assignment not found: HB3 SER 130 - HA SER 130 Peak 4172 from cnoeabs.peaks (8.27, 3.78, 62.15 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 43 + HA SER 130 OK 70 89 80 98 4.7-5.6 4.4/11747=53...(16) H GLU 40 - HA SER 130 far 0 97 0 - 8.6-9.5 H VAL 126 - HA SER 130 far 0 83 0 - 8.9-9.6 H LEU 69 - HA SER 130 far 0 63 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (8.14, 3.78, 62.15 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + HA SER 130 OK 100 100 100 100 3.3-3.9 7935/11861=86...(21) 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 2.8-5.3 2.1/11861=87...(14) HB3 LEU 69 - HA SER 130 far 0 71 0 - 7.1-10.7 Violated in 3 structures by 0.01 A. Peak 4175 from cnoeabs.peaks (3.97, 3.82, 62.61 ppm; 3.65 A): 1 out of 7 assignments used, quality = 0.40: HA SER 50 + HB2 SER 50 OK 40 40 100 100 2.2-2.9 3.0=100 ! HA GLN 127 - HB2 SER 130 far 15 100 15 - 3.1-5.7 HA GLN 127 - HB2 SER 50 far 4 73 5 - 3.9-6.3 HB3 SER 51 - HB2 SER 50 far 3 65 5 - 4.1-7.0 HB2 SER 51 - HB2 SER 50 far 0 40 0 - 5.5-7.2 HB2 SER 124 - HB2 SER 50 far 0 42 0 - 8.6-11.0 HA SER 50 - HB2 SER 130 far 0 65 0 - 8.6-10.9 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, 7890/1.8=40...(9) H ALA 52 - HB2 SER 50 far 0 70 0 - 4.9-6.3 H LEU 48 - HB2 SER 50 far 0 67 0 - 5.1-7.1 H LEU 48 - HB2 SER 130 far 0 97 0 - 6.4-8.7 H SER 130 - HB2 SER 50 far 0 73 0 - 7.0-9.7 H CYS 125 - HB2 SER 50 far 0 69 0 - 7.8-10.0 H CYS 125 - HB2 SER 130 far 0 99 0 - 9.4-11.6 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 2.2-2.9 3.0=100 HB3 SER 130 + HB2 SER 130 OK 99 99 100 100 1.8-1.8 1.8=100 HA LEU 43 + HB2 SER 130 OK 97 100 100 97 2.0-4.6 3.9/11720=60...(14) HB3 SER 130 - HB2 SER 50 far 0 69 0 - 6.6-8.3 HA VAL 133 - HB2 SER 130 far 0 92 0 - 7.4-8.4 HA LEU 43 - HB2 SER 50 far 0 73 0 - 8.1-10.3 HA SER 130 - HB2 SER 50 far 0 73 0 - 8.8-11.1 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 2.2-2.9 3.0=100 HA LEU 43 + HB2 SER 130 OK 82 99 95 87 2.0-4.6 3.9/11720=40...(14) HB3 SER 130 - HB2 SER 50 far 0 73 0 - 6.6-8.3 HA VAL 133 - HB2 SER 130 far 0 99 0 - 7.4-8.4 HA LEU 43 - HB2 SER 50 far 0 70 0 - 8.1-10.3 HA SER 130 - HB2 SER 50 far 0 69 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (8.27, 3.82, 62.61 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.99: * H ASP 131 + HB2 SER 130 OK 99 100 100 99 3.2-4.3 4.6=76, 7891/7889=59...(12) H LEU 43 + HB2 SER 130 OK 37 89 45 93 4.1-6.8 4.4/11720=49...(10) H VAL 126 - HB2 SER 50 far 0 53 0 - 6.4-9.0 H LEU 123 - HB2 SER 50 far 0 66 0 - 6.7-9.2 H VAL 126 - HB2 SER 130 far 0 83 0 - 7.2-9.8 H ASP 131 - HB2 SER 50 far 0 73 0 - 8.5-10.7 H GLU 40 - HB2 SER 130 far 0 97 0 - 8.7-10.9 H LEU 69 - HB2 SER 130 far 0 63 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (3.97, 3.77, 62.61 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.95: * HA GLN 127 + HB3 SER 130 OK 95 100 100 95 2.9-4.9 4038=67, 4036/3.9=52...(7) HA SER 50 - HB3 SER 130 far 0 65 0 - 8.2-10.3 Violated in 1 structures by 0.03 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 - 6.8-9.0 H CYS 125 - HB3 SER 130 far 0 99 0 - 9.0-10.5 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 - 6.6-8.3 HA GLU 40 - HB3 SER 130 far 0 83 0 - 8.0-10.5 HA LEU 123 - HB3 SER 130 far 0 68 0 - 8.2-9.8 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 2.8-2.9 2.9=100 H LEU 43 - HA ASP 131 far 0 89 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 4188 from cnoeabs.peaks (4.31, 4.31, 56.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 131 + HA ASP 131 OK 100 100 - 100 Peak 4189 from cnoeabs.peaks (2.77, 4.31, 56.79 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 100 100 2.4-2.7 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 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 4191 from cnoeabs.peaks (8.47, 4.31, 56.79 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HA ASP 131 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 47 - HA ASP 131 far 0 92 0 - 8.7-10.9 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 3.1-4.0 7939=100, 7949/4194=70...(11) HE22 GLN 127 - HA ASP 131 far 0 98 0 - 7.1-11.1 Violated in 0 structures by 0.00 A. Peak 4193 from cnoeabs.peaks (2.02, 4.31, 56.79 ppm; 4.13 A): 1 out of 4 assignments used, quality = 0.91: * HB2 GLN 134 + HA ASP 131 OK 91 100 95 96 3.2-5.1 1.8/4194=71, 4266=50...(10) HG3 ARG 135 - HA ASP 131 poor 18 96 30 63 4.0-7.6 11783/4.9=36...(5) HB ILE 129 - HA ASP 131 far 0 87 0 - 7.1-7.6 HG2 PRO 81 - HA ASP 131 far 0 78 0 - 9.2-14.7 Violated in 14 structures by 0.33 A. Peak 4194 from cnoeabs.peaks (2.33, 4.31, 56.79 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.87: * HB3 GLN 134 + HA ASP 131 OK 87 100 90 97 2.2-5.6 1.8/4193=68, 4276=58...(11) HG2 GLN 127 - HA ASP 131 far 0 71 0 - 7.6-10.1 Violated in 8 structures by 0.29 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 2.3-4.3 4085=100, 4086/1.8=81...(14) HA ALA 34 - HB2 TYR 76 far 0 42 0 - 6.2-10.6 HB3 SER 38 - HB2 TYR 76 far 0 46 0 - 6.6-10.1 HA ALA 88 - HB2 ASP 131 far 0 99 0 - 9.4-10.7 Violated in 5 structures by 0.06 A. Peak 4196 from cnoeabs.peaks (8.27, 2.77, 40.87 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.2-3.6 7903=100, 7904/1.8=82...(14) H LEU 43 - HB2 TYR 76 far 0 63 0 - 6.6-8.4 H GLU 40 - HB2 TYR 76 far 0 72 0 - 7.3-10.1 H VAL 126 - HB2 ASP 131 far 0 83 0 - 8.7-11.1 H LEU 69 - HB2 TYR 76 far 0 42 0 - 9.3-10.8 H LEU 43 - HB2 ASP 131 far 0 89 0 - 9.6-12.0 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 5 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.4-2.7 3.0=100 HA TYR 76 + HB2 TYR 76 OK 77 77 100 100 2.4-3.0 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 72 0 - 4.9-5.9 HA SER 74 - HB2 TYR 76 far 0 63 0 - 5.6-7.3 HA LEU 69 - HB2 TYR 76 far 0 52 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (2.77, 2.77, 40.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB2 ASP 131 OK 100 100 - 100 HB2 TYR 76 + HB2 TYR 76 OK 69 69 - 100 Peak 4199 from cnoeabs.peaks (2.87, 2.77, 40.87 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 47 - HB2 ASP 131 far 0 76 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 4200 from cnoeabs.peaks (8.47, 2.77, 40.87 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 132 + HB2 ASP 131 OK 100 100 100 100 3.3-3.8 7914=100, 7915/1.8=80...(18) H LEU 70 - HB2 TYR 76 far 0 75 0 - 8.8-10.1 H ASP 47 - HB2 ASP 131 far 0 92 0 - 9.2-12.2 H VAL 132 - HB2 TYR 76 far 0 78 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 4201 from cnoeabs.peaks (4.20, 2.87, 40.87 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HB3 ASP 131 OK 100 100 100 100 2.2-3.8 4086=100, 4195/1.8=75...(15) HA ALA 88 - HB3 ASP 131 far 0 99 0 - 7.8-9.4 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 2.4-2.9 7904=100, 7903/1.8=81...(15) H VAL 126 - HB3 ASP 131 far 0 83 0 - 8.9-10.3 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 2.2-2.9 7915=100, 7914/1.8=85...(24) H ASP 47 - HB3 ASP 131 far 0 92 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (8.47, 3.52, 66.53 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 132 + HA VAL 132 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4208 from cnoeabs.peaks (3.52, 3.52, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HA VAL 132 OK 100 100 - 100 Peak 4209 from cnoeabs.peaks (2.28, 3.52, 66.53 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + HA VAL 132 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 81 - HA VAL 132 far 0 71 0 - 9.6-13.5 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 2.1-2.4 3.2=100 QG2 VAL 132 + HA VAL 132 OK 99 99 100 100 2.3-2.7 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 8.1-10.7 HG3 LYS 39 - HA VAL 132 far 0 68 0 - 8.5-10.5 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 2.3-2.7 3.2=100 QG1 VAL 132 + HA VAL 132 OK 99 99 100 100 2.1-2.4 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 8.1-10.7 HG3 LYS 39 - HA VAL 132 far 0 87 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 4212 from cnoeabs.peaks (8.14, 3.52, 66.53 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + HA VAL 132 OK 100 100 100 100 3.5-3.6 3.6=100 H PHE 87 - HA VAL 132 far 0 60 0 - 8.2-9.1 H GLU 91 - HA VAL 132 far 0 83 0 - 8.7-9.9 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 2.8-4.0 4126=100, 10477/2.1=86...(24) HA VAL 77 - HB VAL 132 far 0 93 0 - 6.5-7.7 HA VAL 126 - HB VAL 132 far 0 63 0 - 8.0-9.2 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 2 assignments used, quality = 1.00: * H VAL 132 + HB VAL 132 OK 100 100 100 100 2.5-3.0 7917=100, 4226/2.1=49...(20) H ASN 116 - HB3 PRO 113 far 0 43 0 - 4.9-8.2 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 6 assignments used, quality = 1.00: * QG1 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 132 + HB VAL 132 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 far 0 73 0 - 4.1-6.5 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.0-9.8 HG3 LYS 39 - HB VAL 132 far 0 68 0 - 8.1-9.9 HB3 LEU 62 - HB3 PRO 113 far 0 64 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 4218 from cnoeabs.peaks (1.14, 2.28, 31.51 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 132 + HB VAL 132 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 far 4 73 5 - 4.1-6.5 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.0-9.8 HG3 LYS 39 - HB VAL 132 far 0 87 0 - 8.1-9.9 HB3 LEU 62 - HB3 PRO 113 far 0 72 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 4219 from cnoeabs.peaks (8.14, 2.28, 31.51 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + HB VAL 132 OK 100 100 100 100 2.1-3.0 7929=100, 3.3/7917=67...(21) H GLU 91 - HB VAL 132 far 0 83 0 - 7.0-8.0 H PHE 87 - HB VAL 132 far 0 60 0 - 7.1-8.3 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 4 assignments used, quality = 1.00: * H VAL 132 + QG1 VAL 132 OK 100 100 100 100 3.7-3.8 4.0=85, 7917/2.1=80...(28) H VAL 132 + QG2 VAL 132 OK 54 54 100 100 1.8-2.3 4.0=83, 7917/2.1=80...(31) H GLU 97 - QG2 VAL 132 far 0 27 0 - 9.7-10.4 H ASP 47 - QG2 VAL 132 far 0 44 0 - 9.7-10.9 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 2.1-2.4 3.2=100 HA VAL 132 + QG2 VAL 132 OK 54 54 100 100 2.3-2.7 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 5 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 - 7.8-10.1 HG2 GLU 97 - QG2 VAL 132 far 0 50 0 - 9.7-12.4 HB2 PRO 81 - QG2 VAL 132 far 0 31 0 - 9.8-12.6 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): 3 out of 6 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 132 OK 100 100 100 100 3.0-4.1 4.2=83, 7929/2.1=76...(26) H VAL 133 + QG2 VAL 132 OK 54 54 100 100 3.3-3.8 4.4=76, 7929/2.1=76...(30) H PHE 87 + QG1 VAL 132 OK 27 60 55 81 4.5-5.3 3.6/11748=50...(13) H GLU 91 - QG1 VAL 132 far 0 83 0 - 5.1-6.2 H GLU 91 - QG2 VAL 132 far 0 38 0 - 5.2-6.1 H PHE 87 - QG2 VAL 132 far 0 26 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (8.47, 1.14, 23.15 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG2 VAL 132 OK 100 100 100 100 1.8-2.3 7917/2.1=63, 4.0=52...(31) H VAL 132 + QG1 VAL 132 OK 53 54 100 99 3.7-3.8 7917/2.1=63, 4.0=54...(27) H GLU 97 - QG2 VAL 132 far 0 63 0 - 9.7-10.4 H ASP 47 - QG2 VAL 132 far 0 92 0 - 9.7-10.9 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 2.3-2.7 3.2=100 HA VAL 132 + QG1 VAL 132 OK 54 54 100 100 2.1-2.4 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 5 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 - 7.8-10.1 HG2 GLU 97 - QG2 VAL 132 far 0 98 0 - 9.7-12.4 HB2 PRO 81 - QG2 VAL 132 far 0 71 0 - 9.8-12.6 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 3.3-3.8 4.4=90, 7929/2.1=82...(30) H VAL 133 + QG1 VAL 132 OK 54 54 100 100 3.0-4.1 4.2=99, 7929/2.1=82...(26) H PHE 87 - QG1 VAL 132 poor 14 26 80 69 4.5-5.3 3.6/11748=30...(10) H GLU 91 - QG1 VAL 132 far 2 38 5 - 5.1-6.2 H GLU 91 - QG2 VAL 132 far 0 83 0 - 5.2-6.1 H PHE 87 - QG2 VAL 132 far 0 60 0 - 6.3-6.9 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 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (3.77, 3.77, 65.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 133 + HA VAL 133 OK 100 100 - 100 Peak 4234 from cnoeabs.peaks (2.19, 3.77, 65.08 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + HA VAL 133 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 82 - HA VAL 133 far 0 96 0 - 6.2-9.8 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 2.1-3.1 3.2=100 HG13 ILE 80 + HA VAL 133 OK 69 95 75 98 3.3-5.6 2.1/9726=52, ~10588=24...(25) QG2 ILE 80 - HA VAL 133 poor 15 76 20 - 3.5-5.4 QG2 ILE 129 - HA VAL 133 far 0 92 0 - 4.6-6.5 Violated in 0 structures by 0.00 A. Peak 4236 from cnoeabs.peaks (1.04, 3.77, 65.08 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HA VAL 133 OK 100 100 100 100 2.5-3.1 3.2=100 QG1 VAL 77 - HA VAL 133 far 0 83 0 - 8.1-9.5 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 3.3-3.6 3.6=100 H LEU 42 - HA VAL 133 far 0 100 0 - 8.3-10.5 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 2 assignments used, quality = 1.00: * H VAL 133 + HB VAL 133 OK 100 100 100 100 2.7-3.6 4.0=100 H PHE 87 - HB VAL 133 far 0 60 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4240 from cnoeabs.peaks (3.77, 2.19, 31.57 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 130 + HB VAL 133 OK 77 92 85 99 2.8-5.3 11861/2.1=52...(14) HA LEU 43 - HB VAL 133 far 0 93 0 - 5.1-7.8 HB3 SER 130 - HB VAL 133 far 0 99 0 - 5.6-8.1 HA THR 83 - HB VAL 133 far 0 81 0 - 9.0-12.4 HA ARG 90 - HB VAL 133 far 0 65 0 - 9.6-12.0 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 HG13 ILE 80 - HB VAL 133 poor 19 95 20 - 3.8-6.9 QG2 ILE 129 - HB VAL 133 far 14 92 15 - 3.7-6.1 QG2 ILE 80 - HB VAL 133 far 4 76 5 - 4.2-7.7 Violated in 0 structures by 0.00 A. Peak 4243 from cnoeabs.peaks (1.04, 2.19, 31.57 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 77 - HB VAL 133 far 0 83 0 - 7.7-10.6 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 2.3-4.4 4.6=100 H LEU 42 - HB VAL 133 far 0 100 0 - 6.4-8.4 Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (8.14, 0.84, 22.13 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 133 OK 100 100 100 100 1.7-3.8 4.0=82, 7935/2.1=80...(27) H PHE 87 - QG1 VAL 133 far 0 60 0 - 7.7-10.0 H GLU 91 - QG1 VAL 133 far 0 83 0 - 8.0-10.5 H ASP 71 - QG1 VAL 133 far 0 99 0 - 9.7-11.8 Violated in 1 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 2.1-3.1 3.2=100 HA SER 130 + QG1 VAL 133 OK 58 92 65 97 1.8-4.6 11747/11777=36...(22) HA LEU 43 - QG1 VAL 133 far 9 93 10 - 3.7-5.8 HB3 SER 130 - QG1 VAL 133 far 5 99 5 - 4.3-7.0 HA ARG 90 - QG1 VAL 133 far 0 65 0 - 7.1-9.5 HA THR 83 - QG1 VAL 133 far 0 81 0 - 7.9-11.0 Violated in 0 structures by 0.00 A. Peak 4247 from cnoeabs.peaks (2.19, 0.84, 22.13 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 82 - QG1 VAL 133 far 0 96 0 - 6.7-10.5 HB3 LEU 69 - QG1 VAL 133 far 0 71 0 - 6.8-11.2 HB2 GLN 68 - QG1 VAL 133 far 0 60 0 - 9.9-13.4 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 2.0-2.1 2.1=100 QG1 VAL 77 - QG1 VAL 133 far 0 83 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 4250 from cnoeabs.peaks (7.49, 0.84, 22.13 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + QG1 VAL 133 OK 100 100 100 100 2.4-4.1 7945=94, 4256/2.1=74...(20) H LEU 42 - QG1 VAL 133 far 0 100 0 - 5.0-6.6 HE22 GLN 127 - QG1 VAL 133 far 0 98 0 - 9.4-13.4 Violated in 5 structures by 0.03 A. Peak 4251 from cnoeabs.peaks (8.14, 1.04, 23.73 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 133 OK 100 100 100 100 1.8-3.6 7935=100, 7933/2.1=61...(26) H GLU 91 - QG2 VAL 133 far 0 83 0 - 8.1-11.2 H PHE 87 - QG2 VAL 133 far 0 60 0 - 8.1-11.2 H ASP 71 - QG2 VAL 133 far 0 99 0 - 9.7-12.0 Violated in 2 structures by 0.02 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 2.5-3.1 3.2=96, 3.0/7935=48...(15) HA SER 130 + QG2 VAL 133 OK 87 92 100 95 1.9-3.6 11861=31, 11747/11776=31...(21) HA LEU 43 - QG2 VAL 133 far 14 93 15 - 3.9-4.9 HB3 SER 130 - QG2 VAL 133 far 0 99 0 - 4.2-5.9 HA ARG 90 - QG2 VAL 133 far 0 65 0 - 7.1-10.3 HA THR 83 - QG2 VAL 133 far 0 81 0 - 8.6-11.7 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 HB3 LEU 69 - QG2 VAL 133 far 0 71 0 - 6.7-10.6 HB2 GLN 82 - QG2 VAL 133 far 0 96 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 4254 from cnoeabs.peaks (0.84, 1.04, 23.73 ppm; 2.73 A): 2 out of 7 assignments used, quality = 1.00: * QG1 VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 129 + QG2 VAL 133 OK 41 92 50 90 2.5-5.0 10486/10587=29...(21) HG13 ILE 80 - QG2 VAL 133 far 0 95 0 - 4.1-6.8 QG2 ILE 80 - QG2 VAL 133 far 0 76 0 - 5.1-6.9 QD1 LEU 70 - QG2 VAL 133 far 0 87 0 - 8.3-12.0 QD2 LEU 70 - QG2 VAL 133 far 0 83 0 - 8.6-10.7 QD1 LEU 122 - QG2 VAL 133 far 0 57 0 - 9.4-13.3 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (1.04, 1.04, 23.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + QG2 VAL 133 OK 100 100 - 100 Peak 4256 from cnoeabs.peaks (7.49, 1.04, 23.73 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + QG2 VAL 133 OK 100 100 100 100 2.2-3.9 7946=85, 4250/2.1=67...(21) H LEU 42 - QG2 VAL 133 far 5 100 5 - 4.4-6.3 HE22 GLN 127 - QG2 VAL 133 far 0 98 0 - 9.3-12.3 Violated in 1 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 poor 17 87 20 - 3.0-8.3 H LEU 42 - HA GLN 134 far 0 100 0 - 8.4-11.3 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 14 assignments used, quality = 1.00: * HB2 GLN 134 + HA GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 QE MET 11 - HA LYS 24 far 2 34 5 - 4.3-25.4 HG2 PRO 81 - HA GLN 134 far 0 78 0 - 4.9-11.0 HG3 ARG 135 - HA GLN 134 far 0 96 0 - 5.1-7.2 HB VAL 20 - HA LYS 24 far 0 35 0 - 7.0-12.0 HB3 GLU 30 - HA LYS 24 far 0 48 0 - 7.3-18.3 HB2 GLU 44 - HA ASP 47 far 0 91 0 - 7.5-8.4 HG2 PRO 58 - HA LYS 24 far 0 47 0 - 7.6-42.3 HB3 LEU 53 - HA ASP 47 far 0 54 0 - 7.7-9.5 HB ILE 129 - HA ASP 47 far 0 74 0 - 7.7-9.2 HB3 GLU 40 - HA GLN 134 far 0 92 0 - 8.8-12.2 HB2 GLU 44 - HA LYS 24 far 0 48 0 - 8.8-31.4 HB ILE 129 - HA GLN 134 far 0 87 0 - 9.7-11.0 HB3 MET 11 - HA LYS 24 far 0 48 0 - 9.8-29.8 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 2.3-3.0 3.0=100 HG2 GLN 127 - HA ASP 47 lone 2 59 40 9 3.7-5.9 11609/1596=8 HG2 GLN 27 - HA LYS 24 far 0 31 0 - 7.0-12.8 HG2 GLU 40 - HA GLN 134 far 0 92 0 - 7.0-12.9 HG2 GLU 44 - HA ASP 47 far 0 88 0 - 7.1-9.3 HG3 GLN 27 - HA LYS 24 far 0 23 0 - 8.2-14.2 HG3 GLU 30 - HA LYS 24 far 0 48 0 - 8.4-18.4 HG3 GLN 68 - HA ASP 47 far 0 89 0 - 9.1-11.0 HG2 GLU 44 - HA LYS 24 far 0 46 0 - 9.2-33.0 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 2.3-4.1 4287=91, 1.8/4262=80...(19) HB2 ASP 71 - HA LYS 24 far 0 33 0 - 5.8-30.2 HG2 GLN 134 - HA ASP 47 far 0 91 0 - 8.4-11.5 HB2 ASP 35 - HA LYS 24 far 0 28 0 - 9.1-27.0 Violated in 3 structures by 0.02 A. Peak 4262 from cnoeabs.peaks (2.08, 4.35, 56.69 ppm; 3.68 A): 1 out of 14 assignments used, quality = 1.00: * HG3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.1-4.1 4296=91, 1.8/4261=70...(18) HG3 PRO 81 - HA GLN 134 far 6 57 10 - 4.2-10.9 HB3 LYS 39 - HA GLN 134 far 0 100 0 - 5.1-8.1 HB VAL 126 - HA ASP 47 far 0 63 0 - 5.9-7.8 HB3 GLN 82 - HA GLN 134 far 0 97 0 - 6.1-12.4 HB2 GLN 127 - HA ASP 47 far 0 59 0 - 6.2-8.8 HG3 PRO 58 - HA LYS 24 far 0 45 0 - 6.8-43.6 HB3 GLU 44 - HA ASP 47 far 0 90 0 - 7.4-8.5 HB3 GLN 27 - HA LYS 24 far 0 33 0 - 7.4-13.2 HB2 GLN 61 - HA LYS 24 far 0 39 0 - 7.6-40.7 HB3 GLU 44 - HA LYS 24 far 0 48 0 - 7.8-31.8 HG3 GLN 134 - HA ASP 47 far 0 91 0 - 9.0-12.6 HB3 GLN 61 - HA LYS 24 far 0 35 0 - 9.3-41.1 HB2 GLU 128 - HA ASP 47 far 0 91 0 - 9.9-12.3 Violated in 5 structures by 0.05 A. Peak 4263 from cnoeabs.peaks (6.89, 4.35, 56.69 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 134 + HA GLN 134 OK 100 100 100 100 5.2-5.8 5.4=100 HE21 GLN 134 - HA ASP 47 far 0 91 0 - 8.4-13.2 Violated in 18 structures by 0.17 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 2.8-3.5 3.6=100 HZ PHE 89 - HA GLN 134 far 0 99 0 - 8.8-11.1 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 3.2-5.1 4194/1.8=99, 4193=83...(11) 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 2.5-3.7 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 - 8.2-13.5 Violated in 0 structures by 0.00 A. Peak 4271 from cnoeabs.peaks (2.65, 2.02, 30.54 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.7-3.0 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 2.3-3.0 2.9=100 HG3 PRO 81 - HB2 GLN 134 far 0 57 0 - 6.8-13.0 HB3 LYS 39 - HB2 GLN 134 far 0 100 0 - 7.3-9.6 HB3 GLN 82 - HB2 GLN 134 far 0 97 0 - 8.6-14.0 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (7.13, 2.02, 30.54 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HB2 GLN 134 OK 100 100 100 100 1.9-3.2 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 2 assignments used, quality = 1.00: * H ARG 135 + HB2 GLN 134 OK 100 100 100 100 3.5-4.4 4.4=100 HZ PHE 89 - HB2 GLN 134 far 0 99 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (4.31, 2.33, 30.54 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 131 + HB3 GLN 134 OK 100 100 100 100 2.2-5.6 4194=100, 4193/1.8=82...(11) HA PRO 81 - HB3 GLN 134 far 0 60 0 - 9.6-15.9 Violated in 2 structures by 0.02 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 2.2-3.7 4.0=100 H LEU 42 - HB3 GLN 134 far 0 100 0 - 8.7-11.3 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 2.3-3.0 3.0=100 HA PRO 81 - HB3 GLN 134 far 0 90 0 - 9.6-15.9 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 5 96 5 - 4.4-8.6 HG2 PRO 81 - HB3 GLN 134 far 0 78 0 - 6.6-13.3 HB ILE 129 - HB3 GLN 134 far 0 87 0 - 8.2-10.5 HB3 GLU 40 - HB3 GLN 134 far 0 92 0 - 8.9-12.5 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 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (2.08, 2.33, 30.54 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 PRO 81 - HB3 GLN 134 far 0 57 0 - 5.8-12.9 HB3 LYS 39 - HB3 GLN 134 far 0 100 0 - 6.4-9.6 HB3 GLN 82 - HB3 GLN 134 far 0 97 0 - 8.2-13.8 HB2 GLN 127 - HB3 GLN 134 far 0 71 0 - 9.3-13.0 HB2 GLU 128 - HB3 GLN 134 far 0 100 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4284 from cnoeabs.peaks (7.13, 2.33, 30.54 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.5 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 2.8-4.7 4.4=100 HZ PHE 89 - HB3 GLN 134 far 0 99 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 4286 from cnoeabs.peaks (7.49, 2.65, 35.91 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.7-3.5 7950=100, 7951/1.8=87...(19) H LEU 42 - HG2 GLN 134 far 0 100 0 - 8.5-11.3 HE22 GLN 127 - HG2 GLN 134 far 0 98 0 - 9.3-13.8 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 2.3-4.1 4261=100, 4262/1.8=84...(19) HA ASP 47 - HG2 GLN 134 far 0 97 0 - 8.4-11.5 Violated in 1 structures by 0.01 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 2.7-3.0 2.9=100 HG3 ARG 135 - HG2 GLN 134 far 5 96 5 - 4.3-9.1 HG2 PRO 81 - HG2 GLN 134 far 0 78 0 - 7.2-13.0 HB ILE 129 - HG2 GLN 134 far 0 87 0 - 7.5-9.7 HB3 GLU 40 - HG2 GLN 134 far 0 92 0 - 8.9-12.9 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 2.2-3.0 2.9=100 HG2 GLU 40 - HG2 GLN 134 far 0 92 0 - 7.5-13.0 HG2 GLN 127 - HG2 GLN 134 far 0 71 0 - 8.6-11.7 HG2 GLU 44 - HG2 GLN 134 far 0 99 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 4290 from cnoeabs.peaks (2.65, 2.65, 35.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG2 GLN 134 OK 100 100 - 100 Peak 4291 from cnoeabs.peaks (2.08, 2.65, 35.91 ppm; 3.19 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HG2 GLN 134 far 0 100 0 - 5.7-9.5 HG3 PRO 81 - HG2 GLN 134 far 0 57 0 - 6.7-12.9 HB3 GLN 82 - HG2 GLN 134 far 0 97 0 - 8.7-14.5 HB2 GLN 127 - HG2 GLN 134 far 0 71 0 - 8.8-12.9 HB2 GLU 128 - HG2 GLN 134 far 0 100 0 - 9.5-12.5 HB3 GLU 44 - HG2 GLN 134 far 0 100 0 - 9.6-12.8 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 3.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 4293 from cnoeabs.peaks (7.13, 2.65, 35.91 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.5-3.5 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 2.9-5.1 4.9=100 HZ PHE 89 - HG2 GLN 134 far 0 99 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 4295 from cnoeabs.peaks (7.49, 2.08, 35.91 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.9-3.6 7951=100, 7950/1.8=86...(17) H LEU 42 - HG3 GLN 134 far 0 100 0 - 8.5-11.5 HE22 GLN 127 - HG3 GLN 134 far 0 98 0 - 9.4-15.0 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 2.1-4.1 4262=100, 4261/1.8=75...(18) HA ASP 47 - HG3 GLN 134 far 0 97 0 - 9.0-12.6 Violated in 3 structures by 0.02 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 2.3-3.0 2.9=100 HG3 ARG 135 - HG3 GLN 134 far 14 96 15 - 3.7-8.9 HB ILE 129 - HG3 GLN 134 far 0 87 0 - 7.2-10.4 HG2 PRO 81 - HG3 GLN 134 far 0 78 0 - 7.3-13.8 HB3 GLU 40 - HG3 GLN 134 far 0 92 0 - 8.2-12.9 Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (2.33, 2.08, 35.91 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 40 - HG3 GLN 134 far 0 92 0 - 6.6-11.6 HG2 GLU 44 - HG3 GLN 134 far 0 99 0 - 8.9-13.4 HG2 GLN 127 - HG3 GLN 134 far 0 71 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (2.65, 2.08, 35.91 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4300 from cnoeabs.peaks (2.08, 2.08, 35.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 134 + HG3 GLN 134 OK 100 100 - 100 Peak 4301 from cnoeabs.peaks (6.89, 2.08, 35.91 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 134 + HG3 GLN 134 OK 100 100 100 100 3.5-4.1 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 2.4-3.5 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 2.3-5.1 4.9=100 HZ PHE 89 - HG3 GLN 134 far 0 99 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (7.31, 4.02, 58.76 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 135 + HA ARG 135 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (4.02, 4.02, 58.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 135 + HA ARG 135 OK 100 100 - 100 Peak 4306 from cnoeabs.peaks (1.90, 4.02, 58.76 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 84 - HA ARG 135 far 0 100 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (1.82, 4.02, 58.76 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 84 - HA ARG 135 far 0 98 0 - 8.3-12.0 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 2.4-3.8 4329=69, 1.8/4309=68...(15) HD3 LYS 39 - HA ARG 135 far 0 100 0 - 7.5-10.8 Violated in 8 structures by 0.17 A. Peak 4309 from cnoeabs.peaks (2.03, 4.02, 58.76 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.7-4.2 1.8/4308=73, 4.2=53...(14) HB2 GLN 134 - HA ARG 135 poor 19 96 20 - 4.2-5.1 HG3 PRO 81 - HA ARG 135 far 0 85 0 - 6.8-10.7 Violated in 13 structures by 0.26 A. Peak 4310 from cnoeabs.peaks (2.94, 4.02, 58.76 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.0-4.6 4345=100, 3.0/4308=85...(18) HE2 LYS 39 - HA ARG 135 far 5 99 5 - 4.7-10.8 HE3 LYS 39 - HA ARG 135 far 0 97 0 - 5.9-12.1 Violated in 1 structures by 0.00 A. Peak 4311 from cnoeabs.peaks (3.23, 4.02, 58.76 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.4-5.1 4353=100, 3.0/4308=92...(17) Violated in 2 structures by 0.02 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 2.2-3.6 4.0=100 HZ PHE 89 - HB2 ARG 135 far 0 99 0 - 9.4-12.6 QD PHE 87 - HB2 ARG 135 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 4313 from cnoeabs.peaks (4.02, 1.90, 31.04 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 PRO 81 - HB2 ARG 135 far 0 83 0 - 5.5-9.3 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 - 5.9-9.7 HB2 LYS 86 - HB2 ARG 135 far 0 76 0 - 9.1-12.0 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 HB ILE 80 - HB2 ARG 135 far 0 65 0 - 7.4-10.6 HD3 LYS 39 - HB2 ARG 135 far 0 100 0 - 7.6-10.6 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 3 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLN 134 + HB2 ARG 135 OK 95 96 100 99 5.9-6.8 4.4/7981=99, 4309/3.0=16...(5) HG3 PRO 81 - HB2 ARG 135 lone 2 85 90 3 4.4-8.3 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 4 assignments used, quality = 1.00: * HD2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 39 - HB2 ARG 135 far 0 99 0 - 5.7-11.2 HE3 LYS 39 - HB2 ARG 135 far 0 97 0 - 6.4-12.4 HE3 LYS 86 - HB2 ARG 135 far 0 81 0 - 8.2-13.7 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 3 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 3.0-4.2 3.7=100 HB2 PHE 87 - HB2 ARG 135 far 0 100 0 - 8.8-10.9 HB3 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 4320 from cnoeabs.peaks (7.31, 1.82, 31.04 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.4-3.7 4.0=100 HZ PHE 89 - HB VAL 93 far 0 62 0 - 5.7-7.9 QD PHE 87 - HB VAL 93 far 0 63 0 - 8.6-10.2 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 2.3-3.0 3.0=100 HA ALA 92 - HB VAL 93 far 0 30 0 - 5.6-5.8 HD3 PRO 81 - HB3 ARG 135 far 0 83 0 - 6.8-10.7 HA LYS 95 - HB VAL 93 far 0 64 0 - 7.3-7.7 HA LEU 96 - HB VAL 93 far 0 40 0 - 7.7-8.0 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 3 assignments used, quality = 1.00: * HB2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 - HB VAL 93 far 9 59 15 - 4.1-5.2 HB3 ARG 84 - HB3 ARG 135 far 0 100 0 - 5.9-9.3 Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (1.82, 1.82, 31.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 135 + HB3 ARG 135 OK 100 100 - 100 HB VAL 93 + HB VAL 93 OK 60 60 - 100 Peak 4324 from cnoeabs.peaks (1.71, 1.82, 31.04 ppm; 4.36 A): 2 out of 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 OK 33 44 85 89 3.9-5.8 3.8/2793=57, ~10697=37...(6) HB3 LEU 70 - HB VAL 93 far 10 64 15 - 4.9-9.2 HB2 LEU 70 - HB VAL 93 far 0 65 0 - 6.1-9.6 HG LEU 98 - HB VAL 93 far 0 65 0 - 8.1-9.9 HB ILE 80 - HB3 ARG 135 far 0 65 0 - 8.8-11.8 HD3 LYS 39 - HB3 ARG 135 far 0 100 0 - 9.1-12.0 HB ILE 80 - HB VAL 93 far 0 35 0 - 9.7-11.1 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 5 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 90 - HB VAL 93 poor 15 60 25 - 4.4-5.8 HG3 PRO 81 - HB3 ARG 135 far 0 85 0 - 5.0-9.3 HB2 GLN 134 - HB3 ARG 135 far 0 96 0 - 6.2-7.2 HB3 GLU 91 - HB VAL 93 far 0 65 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (2.94, 1.82, 31.04 ppm; 4.51 A): 1 out of 6 assignments used, quality = 1.00: * HD2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 3.3-3.7 3.7=100 HG CYS 73 - HB VAL 93 far 6 64 10 - 5.0-7.3 HE2 LYS 39 - HB3 ARG 135 far 0 99 0 - 6.4-12.5 HE3 LYS 39 - HB3 ARG 135 far 0 97 0 - 7.5-13.7 HE3 LYS 86 - HB VAL 93 far 0 45 0 - 8.2-12.0 HE3 LYS 86 - HB3 ARG 135 far 0 81 0 - 9.4-14.5 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 5 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 - 6.6-9.3 HB2 PHE 87 - HB3 ARG 135 far 0 100 0 - 9.1-11.5 HB3 PHE 87 - HB VAL 93 far 0 65 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (7.31, 1.71, 27.30 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.0-3.8 7983=100, 7982/2.9=73...(26) HZ PHE 89 - HG2 ARG 135 far 0 99 0 - 9.4-13.2 QD PHE 87 - HG2 ARG 135 far 0 100 0 - 9.6-13.1 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 2.4-3.8 4308=100, 4309/1.8=83...(15) HD3 PRO 81 - HG2 ARG 135 far 0 83 0 - 6.9-11.2 Violated in 3 structures by 0.01 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 - 6.5-11.0 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 - 5.6-9.9 HB2 LYS 86 - HG2 ARG 135 far 0 76 0 - 8.9-13.2 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 4 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 - 4.5-7.8 HG3 PRO 81 - HG2 ARG 135 far 0 85 0 - 6.2-10.2 HB2 GLN 127 - HG2 ARG 135 far 0 73 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (2.94, 1.71, 27.30 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 - HG2 ARG 135 far 0 99 0 - 6.0-11.7 HE3 LYS 39 - HG2 ARG 135 far 0 97 0 - 7.4-12.8 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 3 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 87 - HG2 ARG 135 far 0 100 0 - 8.5-12.6 HB3 PHE 87 - HG2 ARG 135 far 0 100 0 - 8.6-12.8 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 2.0-4.2 7983/1.8=93, 7982/2.9=78...(24) H ARG 135 - HG3 PRO 81 far 0 61 0 - 5.2-10.0 HZ PHE 89 - HG3 ARG 135 far 0 99 0 - 8.5-12.2 HZ PHE 89 - HG3 PRO 81 far 0 59 0 - 8.7-12.2 QD PHE 87 - HG3 ARG 135 far 0 100 0 - 9.0-11.6 Violated in 1 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (4.02, 2.03, 27.30 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.7-4.2 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 HD3 PRO 81 - HG3 ARG 135 far 0 83 0 - 6.7-11.1 HA ARG 135 - HG3 PRO 81 far 0 61 0 - 6.8-10.7 HB3 SER 99 - HG3 PRO 117 far 0 58 0 - 7.9-9.8 HA LEU 103 - HG3 PRO 117 far 0 65 0 - 8.3-10.7 HA LEU 119 - HG3 PRO 117 far 0 62 0 - 9.2-10.0 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 4 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 135 - HG3 PRO 81 far 0 61 0 - 4.4-8.3 HB3 ARG 84 - HG3 ARG 135 far 0 100 0 - 5.5-10.0 HB3 ARG 84 - HG3 PRO 81 far 0 61 0 - 7.8-11.3 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 2.3-3.0 2.9=100 HB3 ARG 135 - HG3 PRO 81 far 0 61 0 - 5.0-9.3 HB2 ARG 84 - HG3 ARG 135 far 0 98 0 - 5.1-10.8 HB2 CYS 79 - HG3 PRO 81 far 0 43 0 - 7.5-8.1 HB2 ARG 84 - HG3 PRO 81 far 0 58 0 - 7.8-10.9 HB2 LYS 86 - HG3 PRO 81 far 0 39 0 - 8.3-10.6 HB3 LEU 103 - HG3 PRO 117 far 0 39 0 - 8.8-12.4 HB2 LYS 86 - HG3 ARG 135 far 0 76 0 - 9.0-12.4 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 8 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 - 3.8-12.9 HB ILE 80 - HG3 PRO 81 far 0 33 0 - 5.8-6.7 HG2 ARG 135 - HG3 PRO 81 far 0 61 0 - 6.2-10.2 HD3 LYS 39 - HG3 ARG 135 far 0 100 0 - 8.3-12.6 HB ILE 80 - HG3 ARG 135 far 0 65 0 - 8.4-12.0 HB2 LEU 43 - HG3 PRO 81 far 0 48 0 - 9.1-15.9 HG LEU 98 - HG3 PRO 117 far 0 65 0 - 9.9-16.2 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 9 assignments used, quality = 1.00: * HD2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 - HG3 PRO 81 poor 20 56 35 - 2.8-12.3 HB3 ASN 116 - HG3 PRO 117 poor 16 64 25 - 4.7-7.0 HE2 LYS 39 - HG3 PRO 81 poor 11 59 35 52 3.4-11.7 10577/10574=30...(11) HD2 ARG 135 - HG3 PRO 81 far 3 61 5 - 5.1-12.4 HE3 LYS 86 - HG3 PRO 81 far 0 43 0 - 5.8-11.4 HE2 LYS 39 - HG3 ARG 135 far 0 99 0 - 6.6-12.9 HE3 LYS 39 - HG3 ARG 135 far 0 97 0 - 7.1-14.3 HE3 LYS 86 - HG3 ARG 135 far 0 81 0 - 9.5-14.1 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 5 assignments used, quality = 1.00: * HD3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 135 - HG3 PRO 81 far 3 61 5 - 5.4-12.0 HB2 PHE 87 - HG3 ARG 135 far 0 100 0 - 7.8-11.1 HB3 HIS 4 - HG3 PRO 117 far 0 65 0 - 8.2-77.4 HB3 PHE 87 - HG3 ARG 135 far 0 100 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (7.31, 2.94, 44.19 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HD2 ARG 135 OK 100 100 100 100 1.9-4.9 6.2=100 QD PHE 87 - HD2 ARG 135 far 0 100 0 - 9.0-13.1 HZ PHE 89 - HD2 ARG 135 far 0 99 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 4345 from cnoeabs.peaks (4.02, 2.94, 44.19 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.0-4.6 5.0=100 HD3 PRO 81 - HD2 ARG 135 far 0 83 0 - 6.8-13.3 Violated in 0 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (1.90, 2.94, 44.19 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.3-4.2 3.7=100 HB3 ARG 84 - HD2 ARG 135 far 0 100 0 - 6.4-11.1 Violated in 5 structures by 0.03 A. Peak 4347 from cnoeabs.peaks (1.82, 2.94, 44.19 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 3.3-3.7 3.7=100 HB2 ARG 84 - HD2 ARG 135 far 5 98 5 - 4.7-11.3 HB2 LYS 86 - HD2 ARG 135 far 0 76 0 - 9.5-13.5 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 3 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 39 - HD2 ARG 135 far 0 100 0 - 8.7-12.7 HB ILE 80 - HD2 ARG 135 far 0 65 0 - 8.9-12.8 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 4 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 5 96 5 - 4.7-8.5 HG3 PRO 81 - HD2 ARG 135 far 0 85 0 - 5.1-12.4 HB2 GLN 127 - HD2 ARG 135 far 0 73 0 - 8.8-14.5 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 3 assignments used, quality = 1.00: * HD3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 87 - HD2 ARG 135 far 0 100 0 - 7.7-12.4 HB3 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.2-13.1 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 2.8-5.0 7986=100, 7985/1.8=98...(26) QD PHE 87 - HD3 ARG 135 far 0 100 0 - 8.6-13.1 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 2.4-5.1 5.0=100 HD3 PRO 81 - HD3 ARG 135 far 0 83 0 - 7.1-12.8 Violated in 1 structures by 0.00 A. Peak 4354 from cnoeabs.peaks (1.90, 3.23, 44.19 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 3.0-4.2 3.7=100 HB3 ARG 84 - HD3 ARG 135 far 0 100 0 - 6.1-11.3 Violated in 7 structures by 0.08 A. Peak 4355 from cnoeabs.peaks (1.82, 3.23, 44.19 ppm; 3.97 A): 1 out of 2 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 5 98 5 - 4.5-12.2 Violated in 2 structures by 0.02 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 2.3-3.0 3.0=100 HB ILE 80 - HD3 ARG 135 far 0 65 0 - 8.7-13.0 HD3 LYS 39 - HD3 ARG 135 far 0 100 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4357 from cnoeabs.peaks (2.03, 3.23, 44.19 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 134 - HD3 ARG 135 far 5 96 5 - 4.6-9.0 HG3 PRO 81 - HD3 ARG 135 far 0 85 0 - 5.4-12.0 Violated in 0 structures by 0.00 A. Peak 4358 from cnoeabs.peaks (2.94, 3.23, 44.19 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 39 - HD3 ARG 135 far 0 99 0 - 7.6-13.6 HE3 LYS 39 - HD3 ARG 135 far 0 97 0 - 8.3-14.8 HE3 LYS 86 - HD3 ARG 135 far 0 81 0 - 9.7-15.1 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 4 assignments used, quality = 1.00: * HA HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.1-3.3 2096=100, 2.9/6870=61...(9) HA SER 94 - HD2 HIS 67 far 0 92 0 - 7.8-11.6 HA VAL 105 - HD2 HIS 67 far 0 65 0 - 8.5-13.4 HA SER 99 - HD2 HIS 67 far 0 100 0 - 8.6-11.2 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 4 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.9-4.0 4.0=100 HA VAL 63 + HD2 HIS 67 OK 37 73 50 100 4.4-7.2 3.2/9406=87...(8) HB3 CYS 73 - HD2 HIS 67 far 0 81 0 - 8.0-12.2 HB3 TYR 72 - HD2 HIS 67 far 0 100 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (3.41, 7.15, 118.65 ppm; 5.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 HA VAL 126 - HD2 HIS 67 far 0 63 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (7.15, 7.15, 118.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 67 + HD2 HIS 67 OK 100 100 - 100 Peak 5508 from cnoeabs.peaks (4.55, 7.15, 131.84 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 72 + QD TYR 72 OK 100 100 100 100 1.9-2.8 3.4=100 HA SER 38 - QD TYR 72 far 5 97 5 - 5.6-7.6 HA ASP 35 - QD TYR 72 far 0 63 0 - 8.5-9.5 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 2.5-2.8 2.7=100 Violated in 0 structures by 0.00 A. Peak 5510 from cnoeabs.peaks (3.34, 7.15, 131.84 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.5 2.7=100 HB3 CYS 73 + QD TYR 72 OK 85 85 100 100 5.8-7.3 3.8/6996=86, ~9529=54...(15) HB2 HIS 67 - QD TYR 72 far 5 100 5 - 7.5-9.3 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 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (6.81, 6.81, 118.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 72 + QE TYR 72 OK 100 100 - 100 Peak 5516 from cnoeabs.peaks (2.76, 6.50, 133.03 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.6 2.6=100 HB2 CYS 73 + QD TYR 76 OK 97 97 100 100 4.4-6.4 3.0/11126=88, ~11160=68...(18) HB3 ASP 78 + QD TYR 76 OK 31 81 40 97 7.5-8.1 4.1/9681=80...(4) 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 2.3-2.6 2.6=100 HB3 CYS 45 - QD TYR 76 far 0 100 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 5518 from cnoeabs.peaks (6.50, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QD TYR 76 OK 100 100 - 100 Peak 5519 from cnoeabs.peaks (6.47, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.57: QD TYR 76 + QD TYR 76 OK 57 57 - 100 Reference assignment not found: QE TYR 76 - QD TYR 76 Peak 5520 from cnoeabs.peaks (6.50, 6.47, 116.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.57: QE TYR 76 + QE TYR 76 OK 57 57 - 100 Reference assignment not found: QD TYR 76 - QE TYR 76 Peak 5521 from cnoeabs.peaks (6.47, 6.47, 116.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QE TYR 76 OK 100 100 - 100 Peak 5522 from cnoeabs.peaks (4.26, 7.32, 131.40 ppm; 5.20 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 100 100 2.8-3.0 3.7=100 HA ARG 84 + QD PHE 87 OK 87 89 100 98 3.3-5.4 9782/9776=63...(12) Violated in 0 structures by 0.00 A. Peak 5523 from cnoeabs.peaks (3.23, 7.32, 131.40 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.5 2.5=100 HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.6 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 8.6-13.1 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 3 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.6 2.5=100 HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.5 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 8.6-13.1 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 4 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 0 100 0 - 5.3-7.3 HE ARG 84 - QD PHE 87 far 0 87 0 - 5.5-9.3 HD21 ASN 85 - QD PHE 87 far 0 73 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 5528 from cnoeabs.peaks (7.32, 7.27, 130.01 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + QE PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (7.27, 7.27, 130.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 87 + QE PHE 87 OK 100 100 - 100 Peak 5531 from cnoeabs.peaks (7.32, 7.10, 129.20 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + HZ PHE 87 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 5532 from cnoeabs.peaks (7.27, 7.10, 129.20 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 87 + HZ PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 HE ARG 84 - HZ PHE 87 far 0 87 0 - 8.2-13.5 H ASN 85 - HZ PHE 87 far 0 100 0 - 9.4-11.6 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): 2 out of 4 assignments used, quality = 1.00: * HA PHE 89 + QD PHE 89 OK 100 100 100 100 2.1-3.1 3.1=100 HB2 SER 74 + QD PHE 89 OK 33 87 65 59 7.1-8.6 11187/9674=43, ~11364=17 HB3 SER 74 - QD PHE 89 poor 12 89 25 56 7.5-8.6 11187/9674=43, 11364/2.2=20 HA CYS 79 - QD PHE 89 far 0 83 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 5535 from cnoeabs.peaks (3.31, 7.07, 131.30 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 99 99 100 100 3.6-5.6 9581/9924=86, ~11145=83...(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 10 68 15 - 6.9-8.6 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 3.6-5.6 ~11145=83, 9581/9924=82...(13) HB2 PHE 89 + QD PHE 89 OK 85 85 100 100 2.3-2.7 2.7=100 HB3 TYR 72 - QD PHE 89 far 15 99 15 - 6.9-8.6 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 - 9.1-11.6 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 15 99 15 - 6.3-8.0 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 2.6-3.6 4.1/10826=66...(19) QD1 LEU 100 - QG2 ILE 37 far 0 100 0 - 9.1-10.4 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 4.2-4.6 10789=98, 9004/2.1=80...(11) HB3 SER 38 - HB ILE 37 far 10 97 10 - 4.9-5.5 Violated in 20 structures by 0.24 A. Peak 9004 from cnoeabs.peaks (4.23, 0.94, 17.33 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.99: HA ALA 34 + QG2 ILE 37 OK 97 97 100 100 4.1-4.7 10872=96, 10789/2.1=86...(13) HB3 SER 38 + QG2 ILE 37 OK 81 96 85 99 4.8-5.9 3.9/6423=65...(15) HA HIS 67 - QG2 ILE 37 far 0 89 0 - 9.2-10.3 HA ALA 29 - QG2 ILE 37 far 0 99 0 - 9.8-12.7 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 2.1-2.5 10871=99, 10873/2.1=94...(14) HB3 SER 38 - HG12 ILE 37 far 15 100 15 - 3.9-6.7 HB THR 25 - HG12 ILE 37 far 0 87 0 - 9.2-22.2 HA ALA 29 - HG12 ILE 37 far 0 98 0 - 9.3-11.9 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 2.2-2.8 10790=100, 10873/2.1=94...(14) HB3 SER 38 - HG13 ILE 37 far 5 100 5 - 5.1-7.6 HB THR 25 - HG13 ILE 37 far 0 73 0 - 9.3-23.3 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (4.23, 0.78, 12.54 ppm; 3.36 A): 1 out of 8 assignments used, quality = 1.00: HA ALA 29 + QD1 ILE 32 OK 100 100 100 100 1.9-2.4 2.1/10739=71, 10737=65...(15) HA GLN 27 - QD1 ILE 32 poor 18 89 20 - 3.0-8.6 HA ALA 28 - QD1 ILE 32 poor 12 97 30 41 3.3-6.1 3.6/934=12, ~10772=12...(6) HB THR 25 - QD1 ILE 32 far 7 71 10 - 2.4-11.2 HA GLU 30 - QD1 ILE 32 far 5 100 5 - 3.9-6.6 HA ALA 34 - QD1 ILE 32 far 0 100 0 - 5.6-7.8 HA HIS 67 - QD1 ILE 32 far 0 98 0 - 7.0-19.6 HB3 SER 38 - QD1 ILE 32 far 0 100 0 - 8.1-12.5 Violated in 0 structures by 0.00 A. Peak 9008 from cnoeabs.peaks (2.97, 0.78, 12.54 ppm; 4.31 A): 4 out of 11 assignments used, quality = 0.79: HE2 LYS 26 + QD1 ILE 32 OK 43 100 45 96 2.3-12.7 10757/930=37, ~10767=35...(22) HE3 LYS 26 + QD1 ILE 32 OK 34 100 35 96 2.3-11.5 ~10767=35, ~10833=27...(23) HE2 LYS 31 + QD1 ILE 32 OK 28 100 35 79 3.0-9.6 10766/930=16, ~10825=12...(25) HE3 LYS 31 + QD1 ILE 32 OK 24 100 30 80 3.1-9.9 10840/930=16...(31) HE2 LYS 36 - QD1 ILE 32 far 15 98 15 - 4.3-10.7 HE3 LYS 19 - QD1 ILE 32 far 5 100 5 - 4.1-17.6 HE3 LYS 24 - QD1 ILE 32 far 5 100 5 - 4.9-19.2 HE2 LYS 19 - QD1 ILE 32 far 0 99 0 - 5.4-19.1 HE3 LYS 36 - QD1 ILE 32 far 0 100 0 - 5.4-10.7 HE2 LYS 24 - QD1 ILE 32 far 0 97 0 - 6.0-18.9 HB2 CYS 45 - QD1 ILE 32 far 0 73 0 - 7.3-17.0 Violated in 7 structures by 0.26 A. Peak 9009 from cnoeabs.peaks (2.31, 0.78, 12.54 ppm; 4.20 A): 0 out of 5 assignments used, quality = 0.00: HG3 GLU 30 - QD1 ILE 32 far 4 83 5 - 4.8-7.5 HG2 GLU 30 - QD1 ILE 32 far 0 73 0 - 5.4-7.7 HG3 GLN 68 - QD1 ILE 32 far 0 96 0 - 5.5-17.7 HG2 GLU 44 - QD1 ILE 32 far 0 68 0 - 9.5-18.3 HG2 GLU 40 - QD1 ILE 32 far 0 100 0 - 9.6-17.6 Violated in 20 structures by 1.53 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 2.0-3.0 1.8/10825=99...(32) 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 2.5-4.7 1.8/10823=100...(16) HB3 CYS 45 - QG2 ILE 37 far 8 83 10 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 9013 from cnoeabs.peaks (4.52, 4.02, 61.28 ppm; 6.22 A): 3 out of 3 assignments used, quality = 1.00: HA ASP 35 + HA ILE 37 OK 94 100 95 99 6.6-7.2 9012/2.9=95...(5) HA SER 38 + HA ILE 37 OK 93 93 100 100 4.4-5.0 10924/3.2=84...(16) HA TYR 72 + HA ILE 37 OK 71 71 100 100 4.0-6.2 ~9010=65, ~10825=64...(20) 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 5.6-6.9 9012/6413=99...(10) HA SER 38 + HB ILE 37 OK 97 97 100 100 3.8-4.3 3.0/6422=100...(23) HA TYR 72 + HB ILE 37 OK 78 78 100 100 4.1-5.3 ~9010=87, ~9022=87...(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 = 0.99: HA SER 38 + QG2 ILE 37 OK 94 99 95 100 4.1-5.3 3.0/6423=74, 10924=72...(23) HA TYR 72 + QG2 ILE 37 OK 87 87 100 100 1.9-2.8 3.4/9022=68, 3.0/9010=67...(26) 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): 3 out of 3 assignments used, quality = 0.99: HA ASP 35 + HG12 ILE 37 OK 93 93 100 100 4.3-4.8 9012/6415=76...(11) HA TYR 72 + HG12 ILE 37 OK 75 93 80 100 5.1-6.4 10749/2.1=83...(24) HA SER 38 + HG12 ILE 37 OK 70 100 70 100 4.3-6.2 3.0/6424=77...(21) 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 3.5-5.8 10749/2.1=99...(25) HA SER 38 + HG13 ILE 37 OK 98 98 100 100 4.7-6.6 10924/3.2=89, ~6424=73...(20) HA ASP 35 + HG13 ILE 37 OK 68 68 100 99 5.3-6.2 9012/6416=83...(9) Violated in 0 structures by 0.00 A. Peak 9019 from cnoeabs.peaks (6.50, 0.94, 17.33 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 76 + QG2 ILE 37 OK 100 100 100 100 2.3-3.6 3.1/10833=61...(17) QE TYR 76 - QG2 ILE 37 poor 16 63 25 - 3.9-5.5 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 = 0.99: QD TYR 76 + HB ILE 37 OK 97 97 100 100 2.7-5.1 9019/2.1=99...(16) QE TYR 76 + HB ILE 37 OK 74 83 90 100 4.6-7.1 ~9019=85, ~9019=81...(10) 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 2.6-4.3 2.2/9022=97...(29) 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 1.8-2.8 2.2/9021=70...(47) HD2 HIS 67 - QG2 ILE 37 far 0 93 0 - 10.0-12.5 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 4 assignments used, quality = 1.00: H TYR 72 + QG2 ILE 37 OK 100 100 100 100 4.1-5.1 6983/9022=80...(22) H GLU 44 - QG2 ILE 37 far 0 99 0 - 6.7-9.1 H LEU 69 - QG2 ILE 37 far 0 63 0 - 7.0-8.3 H LYS 19 - QG2 ILE 37 far 0 78 0 - 9.4-23.8 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 2 assignments used, quality = 0.95: QD TYR 72 + QD1 ILE 37 OK 95 95 100 100 1.9-3.8 9528=88, 2.2/10840=85...(38) HD2 HIS 67 - QD1 ILE 37 far 0 89 0 - 9.6-13.2 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 2.0-3.9 2.2/10839=82...(21) 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 = 0.48: H GLY 75 + QD1 ILE 37 OK 48 60 80 100 4.3-6.5 2.9/9608=75, 2.9/9604=72...(11) Violated in 12 structures by 0.42 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 3.4-5.9 1285/10819=90...(5) H GLN 134 - QG2 ILE 37 far 0 100 0 - 9.9-12.3 Violated in 1 structures by 0.03 A. Peak 9030 from cnoeabs.peaks (6.49, 4.01, 64.43 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.86: QE TYR 76 + HB2 SER 38 OK 75 83 95 95 4.7-6.0 9034/1.8=73, 9032/3.0=30...(7) QD TYR 76 + HB2 SER 38 OK 46 97 50 94 4.9-6.3 ~9034=60, 9034/1.8=40...(7) Violated in 4 structures by 0.06 A. Peak 9032 from cnoeabs.peaks (6.49, 4.54, 58.15 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + HA SER 38 OK 94 96 100 98 2.7-4.5 9019/10846=58, ~9034=47...(13) QE TYR 76 + HA SER 38 OK 82 87 100 95 2.8-4.5 9034/3.0=64, 9030/3.0=41...(11) 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 3.5-4.4 3.0/9042=70...(14) 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 = 0.84: QD TYR 76 + HB3 SER 38 OK 68 100 70 97 5.1-6.5 9019/9050=59, ~9030=42...(8) QE TYR 76 + HB3 SER 38 OK 49 63 85 93 5.3-6.9 9030/1.8=53, 9032/3.0=32...(8) Violated in 9 structures by 0.07 A. Peak 9036 from cnoeabs.peaks (6.47, 3.40, 59.82 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + HA LYS 39 OK 99 100 100 100 1.9-3.0 9625=70, 10558/10578=65...(17) 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 = 0.96: QE TYR 76 + HB3 LYS 39 OK 96 96 100 100 1.9-4.2 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 3 assignments used, quality = 1.00: QB ALA 41 + HB3 SER 38 OK 100 100 100 100 2.5-4.7 9043/1.8=81...(11) HG3 LYS 39 - HB3 SER 38 far 0 95 0 - 7.6-8.3 HG12 ILE 32 - HB3 SER 38 far 0 99 0 - 10.0-15.3 Violated in 1 structures by 0.01 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 2.3-4.6 9042/1.8=78...(10) HG3 LYS 39 - HB2 SER 38 far 0 100 0 - 6.0-7.6 HG2 LYS 39 - HB2 SER 38 far 0 68 0 - 6.0-8.1 Violated in 2 structures by 0.01 A. Peak 9046 from cnoeabs.peaks (2.04, 4.22, 64.43 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.76: HB3 GLU 40 + HB3 SER 38 OK 76 100 80 95 3.9-7.0 6471/9033=67...(5) HB2 GLU 44 - HB3 SER 38 far 0 90 0 - 8.2-10.5 Violated in 8 structures by 0.34 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 4.8-5.9 6423/6429=87...(15) Violated in 3 structures by 0.06 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 2.7-4.9 10578=98, 10585/10870=78...(22) HG13 ILE 80 - HA LYS 39 far 5 99 5 - 6.2-9.0 QG2 ILE 129 - HA LYS 39 far 0 99 0 - 6.2-7.7 QG2 ILE 80 - HA LYS 39 far 0 90 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 9054 from cnoeabs.peaks (1.18, 1.90, 28.28 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 41 + HB2 GLU 40 OK 97 97 100 100 4.5-5.4 3.0/6470=82, 10931=70...(20) HG3 LYS 39 - HB2 GLU 40 far 4 73 5 - 5.3-7.4 QG2 THR 25 - HB2 GLU 40 far 0 99 0 - 9.3-26.4 Violated in 13 structures by 0.11 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 2.3-4.4 11896=47, 10927/2.8=46...(18) Violated in 2 structures by 0.02 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 9054/3.0=57...(23) HG3 LYS 39 + HA GLU 40 OK 96 97 100 100 3.5-5.3 11901/9055=68, ~1159=42...(24) Violated in 0 structures by 0.00 A. Peak 9059 from cnoeabs.peaks (1.18, 2.31, 35.29 ppm; 5.75 A): 2 out of 5 assignments used, quality = 0.99: QB ALA 41 + HG2 GLU 40 OK 97 97 100 100 3.0-6.1 9054/3.0=84, 3.0/1267=75...(19) HG3 LYS 39 + HG2 GLU 40 OK 45 73 75 82 3.2-8.1 10930/1.8=43...(6) HG12 ILE 32 - HG3 GLU 30 poor 13 52 25 - 4.4-8.6 QG2 THR 25 - HG3 GLU 30 far 10 65 15 - 4.3-12.9 QG2 THR 18 - HG3 GLU 30 far 0 64 0 - 6.7-19.1 Violated in 0 structures by 0.00 A. Peak 9061 from cnoeabs.peaks (8.30, 1.17, 17.90 ppm; 4.27 A): 3 out of 6 assignments used, quality = 0.99: H LEU 43 + QB ALA 41 OK 87 89 100 98 4.4-5.0 3.9/1285=60, 3.6/9066=46...(13) H GLU 40 + QB ALA 41 OK 72 73 100 98 4.1-4.7 6463/3.0=44, 4.0/9054=41...(15) H GLU 44 + QB ALA 41 OK 60 63 100 96 4.4-5.0 6515/2.1=37...(13) H TYR 72 - QB ALA 41 far 0 89 0 - 6.4-7.5 H LEU 69 - QB ALA 41 far 0 99 0 - 7.7-9.1 H LEU 49 - QB ALA 41 far 0 100 0 - 9.5-10.7 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 1 assignment used, quality = 0.81: QD TYR 72 + QB ALA 41 OK 81 81 100 100 2.6-4.7 2.2/9063=92...(14) Violated in 1 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 2.3-4.8 9551=100, 2.2/9062=71...(14) Violated in 8 structures by 0.06 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 3.2-5.5 3.0/1409=96, 9064=89...(17) 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 = 0.99: HG2 GLU 44 + HA ALA 41 OK 97 97 100 100 3.2-5.2 3.0/1409=92, 1.8/9064=90...(19) HG2 GLU 40 + HA ALA 41 OK 43 95 45 100 3.4-6.5 1262/4.9=62, 1267/2.9=59...(22) HG3 GLN 68 - HA ALA 41 far 0 100 0 - 7.3-10.5 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 2.3-4.5 10819=99, 1094/9070=67...(18) QD1 LEU 48 - QB ALA 41 far 0 100 0 - 6.6-8.8 QD1 LEU 49 - QB ALA 41 far 0 90 0 - 7.5-10.8 QG1 VAL 126 - QB ALA 41 far 0 63 0 - 8.1-9.1 QD2 LEU 48 - QB ALA 41 far 0 83 0 - 8.5-10.0 Violated in 4 structures by 0.05 A. Peak 9070 from cnoeabs.peaks (0.78, 1.17, 17.90 ppm; 4.48 A): 1 out of 7 assignments used, quality = 1.00: QD1 ILE 37 + QB ALA 41 OK 100 100 100 100 3.9-4.8 1094/10819=89...(11) QD1 ILE 32 - QB ALA 41 far 5 100 5 - 5.3-11.3 QD2 LEU 43 - QB ALA 41 far 0 81 0 - 5.8-7.1 QD2 LEU 49 - QB ALA 41 far 0 81 0 - 8.1-10.4 QD2 LEU 96 - QB ALA 41 far 0 65 0 - 9.0-9.8 QG1 VAL 93 - QB ALA 41 far 0 68 0 - 9.4-10.7 QD1 LEU 96 - QB ALA 41 far 0 100 0 - 9.9-11.0 Violated in 7 structures by 0.05 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 2.0-5.0 11039/3.9=76, 11074=72...(11) Violated in 1 structures by 0.00 A. Peak 9073 from cnoeabs.peaks (1.17, 3.48, 59.85 ppm; 5.01 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 41 + HA LEU 42 OK 100 100 100 100 3.6-3.9 9066=100, 1285/2.8=91...(8) HG3 LYS 39 - HA LEU 42 far 0 96 0 - 6.2-7.9 QG2 THR 25 - HA LEU 42 far 0 85 0 - 8.6-25.8 QG2 VAL 77 - HA LEU 42 far 0 95 0 - 9.7-11.2 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 2.2-3.7 11039/2.1=95...(23) QG2 VAL 133 + HG LEU 42 OK 54 60 90 100 3.6-5.6 9082/2.1=70, ~10585=63...(24) 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 4.0-4.5 9923/9110=73...(19) QD1 ILE 80 + QD1 LEU 42 OK 92 92 100 100 3.9-5.4 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 4.1-4.8 11424/11891=79...(18) QD1 ILE 80 + QD2 LEU 42 OK 97 97 100 100 3.5-5.3 10588/10587=93...(21) 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 8 assignments used, quality = 1.00: QG1 VAL 133 + QD2 LEU 42 OK 99 99 100 100 1.8-3.0 10585=55, 2.1/10587=54...(38) QG2 ILE 129 + QD2 LEU 42 OK 96 98 100 98 1.8-3.0 10486=74, 9083/2.1=31...(22) HG13 ILE 80 - QD2 LEU 42 far 0 99 0 - 4.8-7.6 QG2 ILE 80 - QD2 LEU 42 far 0 89 0 - 5.9-7.9 QD2 LEU 70 - QD2 LEU 42 far 0 68 0 - 6.3-8.1 QD1 LEU 70 - QD2 LEU 42 far 0 96 0 - 6.8-9.2 QD1 LEU 122 - QD2 LEU 42 far 0 73 0 - 8.5-11.2 QG2 ILE 32 - QD2 LEU 42 far 0 73 0 - 8.6-12.4 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 = 0.93: QG2 VAL 133 + QD2 LEU 42 OK 87 87 100 100 1.8-3.0 10587=69, 2.1/10585=50...(36) QD1 LEU 69 + QD2 LEU 42 OK 46 93 50 99 2.8-4.4 11039=62, 9084/2.1=34...(26) Violated in 0 structures by 0.00 A. Peak 9083 from cnoeabs.peaks (0.82, 0.63, 27.44 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 129 + QD1 LEU 42 OK 99 100 100 99 2.4-3.9 10486/2.1=75, 4142=48...(23) QG1 VAL 133 + QD1 LEU 42 OK 61 95 65 100 3.4-4.8 2.1/11774=67...(32) QD1 LEU 70 - QD1 LEU 42 far 0 100 0 - 5.4-7.9 HG13 ILE 80 - QD1 LEU 42 far 0 100 0 - 6.0-7.9 QD2 LEU 49 - QD1 LEU 42 far 0 65 0 - 6.2-8.2 QG2 ILE 80 - QD1 LEU 42 far 0 97 0 - 6.7-8.0 QD1 LEU 122 - QD1 LEU 42 far 0 89 0 - 7.8-10.7 QD1 LEU 53 - QD1 LEU 42 far 0 57 0 - 8.8-13.1 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 1.9-3.7 11039/2.1=74, 11065=65...(30) QG2 VAL 133 + QD1 LEU 42 OK 37 68 55 100 3.4-5.3 9082/2.1=62, 11676=54...(29) 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 7 assignments used, quality = 0.99: HG LEU 43 + QD2 LEU 42 OK 99 100 100 99 2.8-4.0 2.1/9129=77...(9) HB2 LEU 69 - QD2 LEU 42 far 11 76 15 - 4.8-7.6 QB ALA 88 - QD2 LEU 42 far 0 92 0 - 7.6-8.2 HD3 LYS 36 - QD2 LEU 42 far 0 73 0 - 8.0-10.2 HD2 LYS 86 - QD2 LEU 42 far 0 95 0 - 8.5-11.0 HD2 LYS 36 - QD2 LEU 42 far 0 73 0 - 8.7-11.4 HD3 LYS 86 - QD2 LEU 42 far 0 95 0 - 9.1-11.4 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: HG3 PRO 81 - QD2 LEU 42 poor 19 97 20 - 6.0-11.2 HB2 GLU 44 - QD2 LEU 42 far 0 89 0 - 6.6-8.5 HB2 GLN 134 - QD2 LEU 42 far 0 83 0 - 6.8-8.6 HB3 GLU 40 - QD2 LEU 42 far 0 100 0 - 7.3-8.2 HG2 ARG 90 - QD2 LEU 42 far 0 87 0 - 7.3-8.7 HG3 ARG 135 - QD2 LEU 42 far 0 99 0 - 7.6-10.0 HB2 GLN 127 - QD2 LEU 42 far 0 90 0 - 9.0-10.3 Violated in 18 structures by 0.18 A. Peak 9087 from cnoeabs.peaks (2.19, 0.56, 24.08 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 42 OK 100 100 100 100 2.5-4.1 2.1/10587=100...(30) HB3 LEU 69 + QD2 LEU 42 OK 27 68 40 100 4.6-7.6 3.2/11066=83...(24) HB2 GLN 68 - QD2 LEU 42 far 0 63 0 - 7.8-10.4 HB3 GLN 68 - QD2 LEU 42 far 0 95 0 - 8.2-11.1 HB2 GLN 82 - QD2 LEU 42 far 0 97 0 - 9.7-12.6 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 5 assignments used, quality = 0.99: HB2 CYS 45 + HG LEU 42 OK 95 96 100 100 3.8-5.3 1295/3.7=82...(10) HG CYS 73 + HG LEU 42 OK 79 99 80 100 2.9-8.8 9097/2.1=48...(17) HE2 LYS 39 - HG LEU 42 far 5 100 5 - 6.9-10.9 HE2 LYS 36 - HG LEU 42 far 3 65 5 - 6.0-12.3 HE3 LYS 39 - HG LEU 42 far 0 100 0 - 8.3-11.3 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 1.8-3.1 1.8/10874=90...(32) HB3 CYS 73 + QD1 LEU 42 OK 65 65 100 100 2.0-4.2 3.0/9570=81, 3.8/9565=60...(22) HB3 PHE 89 - QD1 LEU 42 far 0 92 0 - 6.5-7.3 HB2 HIS 67 - QD1 LEU 42 far 0 99 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 9092 from cnoeabs.peaks (3.13, 0.63, 27.44 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: HB3 TYR 76 + QD1 LEU 42 OK 100 100 100 100 2.0-2.9 9635=98, 1.8/9617=77...(21) HB3 CYS 45 + QD1 LEU 42 OK 34 100 35 99 5.0-6.9 1.8/9093=76...(9) 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 10 assignments used, quality = 0.99: HB2 CYS 45 + QD1 LEU 42 OK 90 99 95 97 4.1-5.6 1295/1324=52...(9) HG CYS 73 + QD1 LEU 42 OK 88 93 95 99 2.0-6.1 9555/9565=53...(14) HE2 LYS 36 - QD1 LEU 42 far 5 99 5 - 4.9-9.1 HE3 LYS 36 - QD1 LEU 42 far 5 97 5 - 5.4-9.3 HE2 LYS 39 - QD1 LEU 42 far 0 85 0 - 6.6-9.5 HE2 LYS 19 - QD1 LEU 42 far 0 99 0 - 7.2-26.4 HE3 LYS 19 - QD1 LEU 42 far 0 93 0 - 7.8-25.9 HE3 LYS 39 - QD1 LEU 42 far 0 76 0 - 7.9-9.4 HE3 LYS 86 - QD1 LEU 42 far 0 98 0 - 8.9-10.5 HE3 LYS 26 - QD1 LEU 42 far 0 89 0 - 9.6-25.9 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 99 99 100 99 3.0-4.8 3.0/9570=70, 3.8/9565=49...(20) HB2 TYR 76 + QD1 LEU 42 OK 89 89 100 100 2.0-3.1 1.8/9092=85, 9617=68...(20) HB2 ASP 47 - QD1 LEU 42 far 0 68 0 - 8.6-10.7 HB3 ASP 78 - QD1 LEU 42 far 0 100 0 - 8.8-10.0 HB2 CYS 125 - QD1 LEU 42 far 0 99 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 9095 from cnoeabs.peaks (3.34, 0.56, 24.08 ppm; 5.75 A): 4 out of 4 assignments used, quality = 1.00: HB3 TYR 72 + QD2 LEU 42 OK 100 100 100 100 4.2-5.3 1.8/10875=99...(27) HB3 PHE 89 + QD2 LEU 42 OK 87 99 90 98 5.6-7.1 4.5/11891=78...(9) HB3 CYS 73 + QD2 LEU 42 OK 85 85 100 100 3.7-5.6 ~9570=71, ~9570=69...(23) HB2 PHE 89 + QD2 LEU 42 OK 59 68 90 97 5.6-6.9 4.5/11891=78...(7) Violated in 0 structures by 0.00 A. Peak 9097 from cnoeabs.peaks (2.94, 0.56, 24.08 ppm; 4.56 A): 3 out of 9 assignments used, quality = 0.92: HG CYS 73 + QD2 LEU 42 OK 77 100 80 96 3.2-7.5 9093/2.1=33...(15) HE2 LYS 39 + QD2 LEU 42 OK 48 99 50 96 4.5-7.7 4.0/10873=66...(10) HB2 CYS 45 + QD2 LEU 42 OK 30 100 30 100 4.7-6.3 11062/11066=66...(10) HE3 LYS 39 - QD2 LEU 42 far 0 97 0 - 5.6-7.9 HE2 LYS 36 - QD2 LEU 42 far 0 85 0 - 6.6-11.3 HE3 LYS 36 - QD2 LEU 42 far 0 76 0 - 6.8-11.4 HD2 ARG 135 - QD2 LEU 42 far 0 100 0 - 8.1-10.4 HE3 LYS 86 - QD2 LEU 42 far 0 81 0 - 8.8-10.6 HE2 LYS 19 - QD2 LEU 42 far 0 83 0 - 9.3-28.8 Violated in 3 structures by 0.03 A. Peak 9099 from cnoeabs.peaks (3.78, 0.56, 24.08 ppm; 3.84 A): 3 out of 5 assignments used, quality = 1.00: HA LEU 43 + QD2 LEU 42 OK 100 100 100 100 2.7-4.3 2.8/1338=61, 10883=57...(16) HA SER 130 + QD2 LEU 42 OK 97 100 100 97 2.7-3.7 11747/9129=46...(14) HA VAL 133 + QD2 LEU 42 OK 29 97 30 100 4.3-5.6 3.2/10587=65...(28) HB3 SER 130 - QD2 LEU 42 far 15 100 15 - 4.2-6.0 HA ARG 90 - QD2 LEU 42 far 0 90 0 - 7.1-8.3 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 4.7-6.5 3.9/11066=93...(19) HA GLN 134 + QD2 LEU 42 OK 83 97 85 100 6.0-7.5 11761/10585=89...(5) HA2 GLY 75 - QD2 LEU 42 far 4 71 5 - 7.3-8.9 HA ASP 47 - QD2 LEU 42 far 0 100 0 - 7.6-9.1 HA PRO 81 - QD2 LEU 42 far 0 99 0 - 8.2-12.2 HA CYS 125 - QD2 LEU 42 far 0 96 0 - 9.1-10.3 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 = 0.88: HA CYS 73 + QD1 LEU 42 OK 68 68 100 100 1.9-3.6 9570=56, 2.9/9565=52...(24) HA LEU 69 + QD1 LEU 42 OK 62 63 100 98 3.0-4.7 3.9/11062=50...(21) HA ASP 78 - QD1 LEU 42 far 0 71 0 - 8.3-9.4 HA GLN 134 - QD1 LEU 42 far 0 99 0 - 8.3-10.0 HA ASP 47 - QD1 LEU 42 far 0 90 0 - 8.9-9.9 HA PRO 81 - QD1 LEU 42 far 0 78 0 - 9.3-12.2 HA CYS 125 - QD1 LEU 42 far 0 100 0 - 9.7-11.1 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 4 assignments used, quality = 0.97: H TYR 76 + QD1 LEU 42 OK 97 97 100 100 3.4-4.8 9609=96, 10667/10821=74...(12) H SER 130 - QD1 LEU 42 far 5 100 5 - 5.6-6.9 H CYS 79 - QD1 LEU 42 far 0 97 0 - 6.1-7.3 H LEU 48 - QD1 LEU 42 far 0 96 0 - 8.5-9.5 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 2.2-3.5 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 3.7-5.1 4143/10486=83...(10) H TYR 76 + QD2 LEU 42 OK 82 87 95 100 4.8-6.2 9103/2.1=79, 3.8/9096=68...(11) H ILE 129 + QD2 LEU 42 OK 37 76 50 97 5.5-6.7 4.0/10486=84...(4) H CYS 79 - QD2 LEU 42 far 0 87 0 - 6.3-8.1 H LEU 48 - QD2 LEU 42 far 0 83 0 - 7.7-9.2 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 1 assignment used, quality = 0.00: H GLU 97 - QD2 LEU 42 far 0 100 0 - 9.7-10.7 Violated in 20 structures by 4.96 A. Peak 9107 from cnoeabs.peaks (7.33, 0.56, 24.08 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.60: HZ PHE 89 + QD2 LEU 42 OK 60 60 100 100 1.8-2.7 9110/2.1=94...(16) H ARG 135 - QD2 LEU 42 far 0 78 0 - 6.7-7.8 HE ARG 90 - QD2 LEU 42 far 0 90 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 9108 from cnoeabs.peaks (7.13, 0.56, 24.08 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 72 + QD2 LEU 42 OK 89 89 100 100 4.4-6.0 9111/2.1=92, 2.7/9095=87...(32) HE22 GLN 134 - QD2 LEU 42 far 0 100 0 - 7.2-9.2 Violated in 9 structures by 0.10 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 2.5-4.1 2.6/9096=74, ~9092=56...(27) QE TYR 76 + QD2 LEU 42 OK 92 92 100 100 2.7-4.4 9634/2.1=60...(21) Violated in 0 structures by 0.00 A. Peak 9110 from cnoeabs.peaks (7.31, 0.63, 27.44 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 89 + QD1 LEU 42 OK 99 99 100 100 1.9-2.4 2.2/11890=72...(18) H ARG 135 - QD1 LEU 42 far 0 100 0 - 9.0-10.3 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 3 assignments used, quality = 0.89: QD TYR 72 + QD1 LEU 42 OK 89 89 100 100 2.2-4.3 9108/2.1=93, 2.7/9091=90...(34) HD2 HIS 67 - QD1 LEU 42 far 0 81 0 - 9.0-11.2 HE22 GLN 134 - QD1 LEU 42 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 9112 from cnoeabs.peaks (6.48, 0.63, 27.44 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + QD1 LEU 42 OK 95 96 100 99 3.1-4.9 9634=45, 4.5/9092=43...(19) QD TYR 76 + QD1 LEU 42 OK 87 87 100 100 2.0-3.7 2.6/9092=66, 2.6/9617=53...(17) 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 1 assignment used, quality = 0.98: QD TYR 72 + HA LEU 42 OK 98 98 100 100 2.3-4.0 11119=95, 9108/1332=65...(14) Violated in 0 structures by 0.00 A. Peak 9116 from cnoeabs.peaks (7.47, 0.75, 22.33 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.97: H GLN 134 + QD2 LEU 43 OK 92 92 100 100 2.7-4.4 10593=80, 4.3/11777=66...(19) H LEU 42 + QD2 LEU 43 OK 58 92 65 97 3.9-6.1 3.9/6510=63, 4.8/9129=55...(9) HE22 GLN 127 - QD2 LEU 43 far 0 99 0 - 7.4-10.4 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 = 0.38: HE22 GLN 134 + QD2 LEU 43 OK 38 95 40 100 3.3-6.6 10630=88, 1.7/9118=71...(12) QD TYR 72 - QD2 LEU 43 far 0 60 0 - 5.8-8.2 Violated in 16 structures by 1.00 A. Peak 9118 from cnoeabs.peaks (6.89, 0.75, 22.33 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.30: HE21 GLN 134 + QD2 LEU 43 OK 30 100 30 100 3.4-7.3 1.7/10630=88...(9) HE21 GLN 68 - QD2 LEU 43 far 0 60 0 - 8.7-13.3 Violated in 17 structures by 1.30 A. Peak 9120 from cnoeabs.peaks (2.94, 0.70, 25.73 ppm; 4.31 A): 2 out of 7 assignments used, quality = 1.00: HE2 LYS 39 + QD1 LEU 43 OK 99 99 100 100 1.9-4.3 4.0/11901=61...(27) HE3 LYS 39 + QD1 LEU 43 OK 96 97 100 100 1.9-4.4 4.0/11901=61...(28) HD2 ARG 135 - QD1 LEU 43 far 0 100 0 - 7.0-9.8 HB2 CYS 45 - QD1 LEU 43 far 0 100 0 - 7.4-8.3 HE3 LYS 36 - QD1 LEU 43 far 0 76 0 - 8.5-14.1 HG CYS 73 - QD1 LEU 43 far 0 100 0 - 8.6-13.4 HE2 LYS 36 - QD1 LEU 43 far 0 85 0 - 9.1-13.9 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 1.9-5.0 10596=91, 9124/2.1=91...(25) HB3 CYS 79 - QD1 LEU 43 far 0 71 0 - 8.6-10.4 Violated in 1 structures by 0.01 A. Peak 9123 from cnoeabs.peaks (2.94, 0.75, 22.33 ppm; 5.06 A): 2 out of 7 assignments used, quality = 0.99: HE2 LYS 39 + QD2 LEU 43 OK 95 100 95 100 2.6-6.6 9097/9129=65...(26) HE3 LYS 39 + QD2 LEU 43 OK 89 99 90 100 3.4-6.2 4.0/11073=54...(27) HB2 CYS 45 - QD2 LEU 43 far 10 99 10 - 5.9-6.8 HG CYS 73 - QD2 LEU 43 far 0 100 0 - 6.0-11.2 HD2 ARG 135 - QD2 LEU 43 far 0 100 0 - 6.8-9.4 HE2 LYS 36 - QD2 LEU 43 far 0 76 0 - 8.9-13.0 HE3 LYS 36 - QD2 LEU 43 far 0 65 0 - 9.4-13.7 Violated in 1 structures by 0.03 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 1.9-4.7 10596=82, 1.8/9127=80...(31) HB3 CYS 79 - QD2 LEU 43 far 0 60 0 - 8.3-10.7 Violated in 3 structures by 0.05 A. Peak 9125 from cnoeabs.peaks (2.06, 0.70, 25.73 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.98: HG3 GLN 134 + QD1 LEU 43 OK 89 89 100 100 1.9-4.8 9127/2.1=80, 1.8/9121=76...(25) HB3 LYS 39 + QD1 LEU 43 OK 79 93 85 100 3.9-5.3 2.9/11901=74...(34) HB3 GLU 40 - QD1 LEU 43 poor 12 60 20 - 4.7-6.8 HG3 PRO 81 - QD1 LEU 43 far 0 95 0 - 5.3-11.6 HB3 GLU 44 - QD1 LEU 43 far 0 95 0 - 5.8-7.5 HB2 GLN 127 - QD1 LEU 43 far 0 99 0 - 8.5-10.8 HB3 GLN 82 - QD1 LEU 43 far 0 65 0 - 8.7-13.3 HB2 GLU 128 - QD1 LEU 43 far 0 90 0 - 9.5-11.2 Violated in 1 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: HG2 GLU 44 + QD1 LEU 43 OK 100 100 100 100 5.1-6.3 10947/3.2=87...(6) HB3 GLN 134 + QD1 LEU 43 OK 99 99 100 100 2.3-4.7 11853=98, 11074/2.1=97...(24) HG2 GLU 40 + QD1 LEU 43 OK 71 78 95 95 3.3-6.9 3.9/9055=82...(4) HG2 GLN 127 - QD1 LEU 43 far 0 87 0 - 7.5-10.9 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 = 0.54: HG3 GLN 134 + QD2 LEU 43 OK 54 60 90 100 1.9-5.2 1.8/9124=74...(30) HB3 LYS 39 - QD2 LEU 43 far 10 68 15 - 3.8-6.4 HG3 PRO 81 - QD2 LEU 43 far 0 100 0 - 5.5-12.5 HB3 GLU 44 - QD2 LEU 43 far 0 71 0 - 5.9-7.4 HB2 GLU 44 - QD2 LEU 43 far 0 60 0 - 6.1-7.4 HG3 ARG 135 - QD2 LEU 43 far 0 83 0 - 6.4-9.1 HB3 GLU 40 - QD2 LEU 43 far 0 89 0 - 6.5-7.6 HB2 GLN 127 - QD2 LEU 43 far 0 100 0 - 7.3-9.0 HB2 GLU 128 - QD2 LEU 43 far 0 63 0 - 8.1-8.9 Violated in 4 structures by 0.15 A. Peak 9128 from cnoeabs.peaks (2.19, 0.75, 22.33 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.9-4.7 2.1/11777=85...(23) HB3 LEU 69 - QD2 LEU 43 far 0 78 0 - 6.4-9.1 HB3 GLN 68 - QD2 LEU 43 far 0 98 0 - 9.5-12.9 HB2 GLN 82 - QD2 LEU 43 far 0 92 0 - 9.6-13.8 Violated in 8 structures by 0.13 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 1.8-3.5 9085/2.1=59...(25) 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 90 4.0-4.7 6520/1424=66...(5) HG LEU 98 - HG3 GLU 102 far 4 73 5 - 5.5-9.1 HG LEU 48 - HG3 GLU 44 far 0 99 0 - 7.2-8.5 HD3 LYS 39 - HG3 GLU 44 far 0 99 0 - 7.7-11.4 Violated in 1 structures by 0.00 A. Peak 9141 from cnoeabs.peaks (1.19, 2.51, 34.64 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.37: QB ALA 41 + HG3 GLU 44 OK 37 83 45 100 4.6-6.6 2.1/9064=71...(18) QG2 THR 25 - HG3 GLU 44 far 0 100 0 - 7.1-28.4 Violated in 17 structures by 0.83 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 2.4-3.7 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 2.5-4.7 9547/1.8=87, 2.2/9143=85...(16) HE21 GLN 127 - HB2 CYS 45 far 0 100 0 - 9.1-14.8 Violated in 0 structures by 0.00 A. Peak 9145 from cnoeabs.peaks (7.13, 3.13, 26.22 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 72 + HB3 CYS 45 OK 89 89 100 100 2.5-4.3 2.2/9146=89, 9143/1.8=69...(20) HD2 HIS 67 - HB3 CYS 45 far 0 81 0 - 9.6-11.7 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 2.6-4.5 9547=90, 2.2/9145=77...(16) HE21 GLN 127 - HB3 CYS 45 far 0 97 0 - 9.0-14.8 Violated in 0 structures by 0.00 A. Peak 9148 from cnoeabs.peaks (8.31, 4.12, 62.50 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.98: H LEU 49 + HA CYS 45 OK 94 95 100 100 4.1-5.1 6589/1436=54...(14) H GLU 44 + HA CYS 45 OK 73 89 100 82 5.2-5.5 6531/3.6=61, 3.9/9153=28...(5) H LEU 69 - HA CYS 45 far 4 89 5 - 5.5-7.2 H LEU 43 - HA CYS 45 far 0 63 0 - 6.9-7.4 H TYR 72 - HA CYS 45 far 0 99 0 - 8.4-9.7 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 LEU 69 - HA CYS 45 poor 18 89 20 - 4.0-8.6 HB3 GLN 68 - HA CYS 45 far 5 100 5 - 4.9-7.7 Violated in 18 structures by 1.23 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 3.2-4.5 10991/1437=71...(16) Violated in 0 structures by 0.00 A. Peak 9156 from cnoeabs.peaks (2.17, 2.94, 26.22 ppm; 5.09 A): 2 out of 3 assignments used, quality = 0.96: HB3 LEU 69 + HB2 CYS 45 OK 90 100 90 100 2.1-7.1 3.2/11062=85...(18) HB3 GLN 68 + HB2 CYS 45 OK 57 96 70 86 4.3-7.5 9158/1.8=41...(7) HB VAL 133 - HB2 CYS 45 far 0 73 0 - 9.1-11.6 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 = 0.88: HB3 LEU 69 + HB3 CYS 45 OK 70 100 70 100 1.9-6.4 3.2/11061=60, ~11062=51...(20) HB3 GLN 68 + HB3 CYS 45 OK 60 97 85 73 2.8-7.0 9550/9547=34...(6) Violated in 1 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 1.9-4.9 9160/1.8=98, 11072=80...(23) QG2 VAL 126 + HB3 CYS 45 OK 21 65 65 50 5.8-7.9 11616/4.5=41, 9173/10895=13 QD2 LEU 53 - HB3 CYS 45 far 0 73 0 - 8.0-13.3 Violated in 0 structures by 0.00 A. Peak 9160 from cnoeabs.peaks (0.99, 2.94, 26.22 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.93: QD1 LEU 69 + HB2 CYS 45 OK 93 93 100 100 1.8-4.7 11062=89, 11061/1.8=84...(20) QD2 LEU 53 - HB2 CYS 45 far 0 63 0 - 9.1-13.9 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 1.8-3.8 3.1/1438=54...(12) QD1 LEU 49 + HA CYS 45 OK 51 99 60 87 3.8-6.8 10966/9155=39...(14) QD2 LEU 48 + HA CYS 45 OK 24 96 25 98 4.4-5.4 3.1/1438=54...(11) QG2 ILE 37 - HA CYS 45 far 0 92 0 - 7.8-9.3 QD1 LEU 123 - HA CYS 45 far 0 99 0 - 9.4-11.3 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 1.9-2.5 9175/2.1=88...(20) QG2 VAL 126 + HA ALA 46 OK 100 100 100 100 3.6-4.4 11616/2.1=66, ~9175=50...(18) QD2 LEU 53 - HA ALA 46 far 0 99 0 - 6.4-10.5 QG2 ILE 37 - HA ALA 46 far 0 73 0 - 8.8-10.4 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 1.8-3.5 11054=99, 11045/2.1=81...(24) QD2 LEU 123 - HA ALA 46 far 4 83 5 - 4.8-9.3 QD2 LEU 70 - HA ALA 46 far 0 99 0 - 6.5-8.7 QG1 VAL 133 - HA ALA 46 far 0 63 0 - 6.7-9.4 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 1.8-2.5 10409=91, 2.1/11616=39...(21) QG2 VAL 126 - QB ALA 46 far 5 100 5 - 3.8-4.4 QD2 LEU 53 - QB ALA 46 far 0 100 0 - 6.8-9.7 Violated in 0 structures by 0.00 A. Peak 9176 from cnoeabs.peaks (0.78, 1.34, 16.76 ppm; 3.53 A): 2 out of 9 assignments used, quality = 0.79: QD2 LEU 43 + QB ALA 46 OK 70 71 100 99 2.9-3.5 11071=59, 3.2/9183=44...(17) QD2 LEU 49 + QB ALA 46 OK 30 89 35 98 3.3-5.9 10898/2.1=46...(26) QD1 LEU 96 - QB ALA 46 far 0 99 0 - 5.0-5.9 QD1 LEU 53 - QB ALA 46 far 0 93 0 - 5.3-8.8 QD2 LEU 122 - QB ALA 46 far 0 99 0 - 5.5-9.1 QD1 LEU 122 - QB ALA 46 far 0 65 0 - 6.0-8.5 QD1 ILE 37 - QB ALA 46 far 0 100 0 - 8.7-9.9 QD1 ILE 32 - QB ALA 46 far 0 100 0 - 9.5-16.9 QG1 VAL 63 - QB ALA 46 far 0 100 0 - 10.0-11.1 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 = 1.00: QD2 LEU 42 + QB ALA 46 OK 100 100 100 100 3.0-4.5 9129/9176=59...(16) Violated in 13 structures by 0.24 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): 3 out of 4 assignments used, quality = 0.99: HG LEU 69 + QB ALA 46 OK 95 100 95 100 2.3-4.9 2.1/11063=78...(21) HG LEU 42 + QB ALA 46 OK 64 65 100 97 3.4-4.4 2.1/9177=81...(14) HB2 LEU 49 + QB ALA 46 OK 39 90 45 97 3.8-6.3 ~10898=30, 10899/2.1=29...(21) HB2 LEU 53 - QB ALA 46 far 0 99 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 9183 from cnoeabs.peaks (1.69, 1.34, 16.76 ppm; 4.41 A): 1 out of 8 assignments used, quality = 0.71: HB2 LEU 69 + QB ALA 46 OK 71 71 100 100 3.2-5.3 3.0/11045=74...(20) HG LEU 48 - QB ALA 46 far 0 83 0 - 7.3-8.1 HD2 LYS 39 - QB ALA 46 far 0 90 0 - 7.4-9.9 HB3 LEU 70 - QB ALA 46 far 0 81 0 - 7.5-9.2 HD3 LYS 39 - QB ALA 46 far 0 83 0 - 8.0-10.0 HB2 LEU 70 - QB ALA 46 far 0 87 0 - 8.5-10.0 HG2 ARG 135 - QB ALA 46 far 0 89 0 - 9.5-12.4 HD3 LYS 36 - QB ALA 46 far 0 73 0 - 9.7-12.3 Violated in 17 structures by 0.44 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 - 7.8-10.5 HB ILE 37 - QB ALA 46 far 0 100 0 - 9.6-11.2 Violated in 20 structures by 3.99 A. Peak 9185 from cnoeabs.peaks (2.13, 1.34, 16.76 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.57: HB VAL 126 + QB ALA 46 OK 57 57 100 100 4.1-5.1 2.1/9175=100...(11) HB2 GLU 97 - QB ALA 46 far 0 100 0 - 9.6-12.1 Violated in 1 structures by 0.01 A. Peak 9186 from cnoeabs.peaks (2.91, 1.34, 16.76 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.37: HG CYS 73 + QB ALA 46 OK 37 71 80 65 4.6-9.7 10462/11636=35...(7) HE2 LYS 39 - QB ALA 46 far 0 83 0 - 6.9-10.2 HE3 LYS 39 - QB ALA 46 far 0 90 0 - 7.7-10.2 HD2 ARG 135 - QB ALA 46 far 0 65 0 - 9.5-12.4 Violated in 16 structures by 0.98 A. Peak 9187 from cnoeabs.peaks (3.42, 1.34, 16.76 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 126 + QB ALA 46 OK 97 97 100 100 3.8-4.5 3.2/9175=95...(16) HA LYS 39 - QB ALA 46 far 0 85 0 - 6.6-7.8 HA VAL 77 - QB ALA 46 far 0 71 0 - 9.8-10.7 HB3 HIS 67 - QB ALA 46 far 0 89 0 - 9.9-11.3 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 5 assignments used, quality = 0.00: HA LEU 49 - QB ALA 46 far 0 83 0 - 6.3-7.2 HA LEU 48 - QB ALA 46 far 0 78 0 - 6.5-6.9 HB THR 65 - QB ALA 46 far 0 81 0 - 7.0-8.5 HA PHE 89 - QB ALA 46 far 0 100 0 - 7.8-8.7 HB2 SER 74 - QB ALA 46 far 0 85 0 - 10.0-12.0 Violated in 20 structures by 1.01 A. Peak 9189 from cnoeabs.peaks (4.11, 3.90, 55.49 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: HA CYS 45 + HA ALA 46 OK 97 97 100 100 4.7-4.8 4.8=100 HA LEU 49 + HA ALA 46 OK 95 100 95 100 5.2-6.5 3.0/10899=85...(13) HA LEU 48 - HA ALA 46 far 10 100 10 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (8.28, 1.34, 16.76 ppm; 4.56 A): 3 out of 8 assignments used, quality = 1.00: H LEU 43 + QB ALA 46 OK 96 96 100 100 4.1-4.8 2.8/1348=77...(17) H ASP 131 + QB ALA 46 OK 82 100 85 97 4.6-5.7 4.6/10508=49...(9) H LEU 49 + QB ALA 46 OK 63 65 100 96 4.6-5.4 1455/2.1=43, 3.2/9213=39...(15) H VAL 126 - QB ALA 46 far 0 92 0 - 5.6-6.2 H LEU 69 - QB ALA 46 far 0 76 0 - 5.7-6.9 H GLU 40 - QB ALA 46 far 0 100 0 - 8.2-8.9 H LEU 123 - QB ALA 46 far 0 90 0 - 8.2-9.2 H LEU 96 - QB ALA 46 far 0 100 0 - 8.7-9.3 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 4.3-5.0 6579/6568=66...(11) H SER 130 + QB ALA 46 OK 98 99 100 100 2.8-3.8 4143/11245=58...(15) H CYS 125 - QB ALA 46 far 0 100 0 - 7.6-8.2 H ALA 52 - QB ALA 46 far 0 92 0 - 8.2-8.8 H TYR 76 - QB ALA 46 far 0 100 0 - 9.0-10.3 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 4.0-4.3 3.6/9188=65, 3.4/9132=60...(13) H LEU 53 - QB ALA 46 far 0 100 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 9195 from cnoeabs.peaks (8.48, 4.11, 57.64 ppm; 4.43 A): 3 out of 7 assignments used, quality = 0.95: H LEU 100 + HA LEU 98 OK 84 85 100 99 4.1-5.3 3.1/3155=42, 7391=40...(18) H GLU 97 + HA LEU 98 OK 58 72 95 85 5.1-5.4 10021/3.7=45...(8) H ASP 47 + HA LEU 48 OK 32 36 100 87 5.0-5.2 6579/2.9=52, ~1467=38...(8) H ASP 47 - HA LEU 49 far 0 65 0 - 6.3-7.4 H SER 9 - HA LEU 98 far 0 84 0 - 6.4-58.1 H LEU 70 - HA LEU 49 far 0 85 0 - 9.4-11.5 H LEU 70 - HA LEU 98 far 0 66 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 9196 from cnoeabs.peaks (8.45, 1.89, 41.65 ppm; 6.36 A): 1 out of 2 assignments used, quality = 0.98: H ASP 47 + HB3 LEU 48 OK 98 98 100 100 4.2-6.1 3.6/6585=99, 6573/4.6=77...(9) H LEU 70 - HB3 LEU 48 far 0 89 0 - 9.1-13.8 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 2.0-3.4 11703/2.9=77...(19) QG2 THR 65 + HA LEU 48 OK 66 66 100 100 4.1-5.3 10991/3.0=79...(18) QG2 THR 54 - HA LEU 49 far 0 92 0 - 6.3-7.5 QG2 THR 54 - HA LEU 48 far 0 56 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 9201 from cnoeabs.peaks (1.21, 1.89, 41.65 ppm; 6.21 A): 1 out of 3 assignments used, quality = 0.92: QG2 THR 65 + HB3 LEU 48 OK 92 92 100 100 1.9-4.9 9204/3.0=92, 9202/1.8=89...(24) QG2 THR 25 - HB3 LEU 48 far 3 65 5 - 4.8-30.6 QG2 THR 54 - HB3 LEU 48 far 0 65 0 - 8.5-9.6 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 1.9-4.8 10991=98, 9441/3.0=92...(20) QG2 THR 65 - HB3 LEU 122 far 3 60 5 - 6.2-9.3 QG2 THR 54 - HB3 LEU 122 far 0 51 0 - 7.6-13.4 QG2 THR 54 - HB2 LEU 48 far 0 92 0 - 8.6-9.6 QG2 THR 65 - HB3 LEU 103 far 0 70 0 - 8.6-11.6 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 5 assignments used, quality = 0.99: QG2 THR 65 + HA LEU 48 OK 97 97 100 100 4.1-5.3 10991/3.0=78...(18) QG2 THR 65 + HA LEU 49 OK 61 61 100 100 2.0-3.4 9431/3.9=75...(19) QG2 THR 54 - HA LEU 49 far 0 45 0 - 6.3-7.5 QG2 THR 54 - HA LEU 48 far 0 78 0 - 7.2-7.9 QG2 THR 65 - HA GLN 104 far 0 50 0 - 10.0-12.2 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 2 assignments used, quality = 0.87: QG2 THR 65 + HG LEU 48 OK 87 87 100 100 3.2-4.8 9441=66, 10991/3.0=63...(15) QG2 THR 25 - HG LEU 48 far 4 73 5 - 4.0-31.4 Violated in 1 structures by 0.00 A. Peak 9205 from cnoeabs.peaks (1.58, 0.91, 23.93 ppm; 3.30 A): 1 out of 11 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 - QD2 LEU 48 far 15 100 15 - 4.0-5.5 HG LEU 49 - QD1 LEU 123 far 2 42 5 - 4.1-8.0 HG LEU 49 - QD1 LEU 48 far 2 41 5 - 4.0-6.0 HG LEU 122 - QD1 LEU 123 far 0 21 0 - 5.6-8.3 HG LEU 123 - QD2 LEU 48 far 0 98 0 - 7.8-11.3 HG LEU 123 - QD1 LEU 48 far 0 39 0 - 8.8-12.6 HG LEU 103 - QD1 LEU 123 far 0 30 0 - 9.5-13.3 HG LEU 122 - QD1 LEU 48 far 0 21 0 - 9.7-12.6 HG LEU 122 - QD2 LEU 48 far 0 63 0 - 9.8-11.5 HG2 ARG 23 - QD1 LEU 48 far 0 42 0 - 9.8-30.3 Violated in 0 structures by 0.00 A. Peak 9206 from cnoeabs.peaks (3.87, 0.80, 26.96 ppm; 4.26 A): 3 out of 7 assignments used, quality = 0.95: HA LEU 123 + QD2 LEU 49 OK 67 83 90 91 2.8-5.8 10393/11676=63...(20) HA ALA 46 + QD2 LEU 49 OK 61 63 100 97 2.0-5.1 9209/2.1=55, 10951=31...(19) HA LEU 62 + QD2 LEU 49 OK 59 78 85 88 2.4-5.5 10994=51, 10993/9431=47...(11) HB3 SER 50 - QD2 LEU 49 far 4 81 5 - 5.1-7.3 HB2 SER 50 - QD2 LEU 49 far 0 57 0 - 5.4-7.1 HA LEU 70 - QD2 LEU 49 far 0 93 0 - 6.1-8.2 HA2 GLY 114 - QD2 LEU 49 far 0 92 0 - 9.6-16.7 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 97 100 100 97 1.8-3.5 9210/2.1=32, 2.9/9434=29...(24) HA3 GLY 66 + QD2 LEU 49 OK 97 100 100 97 2.1-4.5 2.9/9434=29, 9210/2.1=28...(21) HD2 PRO 58 - QD2 LEU 49 far 0 96 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 9209 from cnoeabs.peaks (3.87, 0.91, 23.35 ppm; 4.08 A): 7 out of 17 assignments used, quality = 0.94: HA ALA 46 + QD1 LEU 49 OK 54 63 100 86 1.8-4.8 10898/2.1=32...(18) HA LEU 123 + QD1 LEU 123 OK 38 38 100 100 2.0-3.5 4.0=100 HA LEU 62 + QG2 VAL 63 OK 30 39 80 97 4.7-5.3 3.6/6810=60, 2.9/6796=31...(15) HA LEU 123 + QD1 LEU 49 OK 30 83 65 55 2.3-6.0 9206/2.1=24, 3.0/3934=10...(12) HB3 SER 50 + QD1 LEU 123 OK 29 36 80 98 3.5-5.7 ~11636=39, 3.0/11874=32...(23) HB3 SER 50 + QD1 LEU 49 OK 26 81 45 72 3.2-6.4 3.9/6622=20...(20) HB2 SER 50 + QD1 LEU 123 OK 23 24 100 98 2.1-4.4 1.8/11339=44, ~11636=39...(22) HB2 SER 50 - QD1 LEU 49 poor 17 57 35 87 3.0-7.1 ~11338=30, 1.8/11339=26...(21) HA LEU 62 - QD1 LEU 49 far 8 78 10 - 3.0-6.6 HA LEU 70 - QD1 LEU 49 far 0 93 0 - 6.2-9.8 HA ALA 46 - QD1 LEU 123 far 0 27 0 - 6.2-8.1 HA LEU 62 - QD1 LEU 123 far 0 35 0 - 8.0-9.7 HA2 GLY 114 - QG2 VAL 63 far 0 49 0 - 8.7-13.9 HA2 GLY 114 - QD1 LEU 49 far 0 92 0 - 8.9-16.0 HA2 GLY 114 - QD1 LEU 123 far 0 44 0 - 9.0-14.4 HA LEU 123 - QG2 VAL 63 far 0 42 0 - 9.0-10.9 HA GLU 40 - QD1 LEU 49 far 0 68 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 9210 from cnoeabs.peaks (3.65, 0.91, 23.35 ppm; 4.45 A): 3 out of 6 assignments used, quality = 0.94: HA2 GLY 66 + QD1 LEU 49 OK 73 81 95 96 1.9-5.7 9208/2.1=40, 2.9/9433=32...(15) HA3 GLY 66 + QD1 LEU 49 OK 69 90 80 95 3.1-6.5 9208/2.1=40, 2.9/9433=32...(14) HA3 GLY 66 + QG2 VAL 63 OK 24 47 55 92 5.0-6.0 ~2019=27, ~2019=20...(15) HA2 GLY 66 - QG2 VAL 63 far 0 40 0 - 6.4-7.3 HA2 GLY 66 - QD1 LEU 123 far 0 36 0 - 7.7-10.0 HA3 GLY 66 - QD1 LEU 123 far 0 43 0 - 8.2-10.4 Violated in 1 structures by 0.01 A. Peak 9211 from cnoeabs.peaks (2.44, 0.91, 23.35 ppm; 4.68 A): 0 out of 12 assignments used, quality = 0.00: HG2 GLN 101 - QG2 VAL 63 far 0 47 0 - 5.9-9.0 HG3 GLN 61 - QD1 LEU 49 far 0 68 0 - 5.9-10.4 HG3 GLN 61 - QG2 VAL 63 far 0 33 0 - 6.3-8.2 HG2 GLU 55 - QD1 LEU 49 far 0 65 0 - 6.5-12.6 HG3 GLU 128 - QD1 LEU 123 far 0 40 0 - 6.8-9.6 HB3 PRO 58 - QG2 VAL 63 far 0 30 0 - 7.2-8.1 HG2 GLU 55 - QD1 LEU 123 far 0 28 0 - 7.4-11.2 HG2 MET 11 - QG2 VAL 63 far 0 31 0 - 7.8-41.1 HG3 GLU 128 - QD1 LEU 49 far 0 87 0 - 7.9-12.2 HG3 GLU 97 - QD1 LEU 49 far 0 85 0 - 8.2-11.6 HG3 GLU 97 - QG2 VAL 63 far 0 43 0 - 9.0-11.7 HG3 GLN 61 - QD1 LEU 123 far 0 29 0 - 9.7-13.0 Violated in 20 structures by 0.81 A. Peak 9218 from cnoeabs.peaks (0.79, 4.00, 62.52 ppm; 4.04 A): 1 out of 23 assignments used, quality = 0.99: QD1 LEU 53 + HA SER 50 OK 99 100 100 99 1.8-3.9 11422/11636=61...(20) QD2 LEU 49 - HA SER 50 far 10 100 10 - 4.8-6.0 QD2 LEU 122 - HA SER 50 far 5 99 5 - 4.5-9.5 QD1 ILE 32 - HA VAL 20 far 4 78 5 - 3.4-16.7 QD1 LEU 53 - HB3 SER 51 far 0 71 0 - 5.1-7.3 QD1 LEU 122 - HA SER 50 far 0 96 0 - 5.2-9.1 QD2 LEU 122 - HB2 SER 124 far 0 98 0 - 6.3-8.4 QD1 LEU 122 - HB2 SER 124 far 0 95 0 - 6.3-9.2 QD1 LEU 53 - HB2 SER 124 far 0 100 0 - 6.6-8.4 QD1 LEU 96 - HB2 SER 124 far 0 75 0 - 7.0-8.6 QD2 LEU 119 - HA SER 50 far 0 99 0 - 7.1-9.6 QD1 LEU 96 - HA SER 50 far 0 76 0 - 7.3-9.8 QD2 LEU 49 - HB3 SER 51 far 0 71 0 - 7.5-8.6 QD2 LEU 49 - HB2 SER 124 far 0 100 0 - 7.9-10.5 QD2 LEU 119 - HB2 SER 124 far 0 99 0 - 8.2-11.1 QD1 ILE 37 - HA VAL 20 far 0 82 0 - 8.9-20.8 QD2 LEU 122 - HB3 SER 51 far 0 68 0 - 9.1-13.2 QD1 LEU 103 - HA SER 50 far 0 95 0 - 9.1-11.9 QD1 LEU 122 - HB3 SER 51 far 0 64 0 - 9.3-12.2 QD1 LEU 103 - HB2 SER 124 far 0 94 0 - 9.4-12.8 QG2 ILE 129 - HA SER 50 far 0 65 0 - 9.5-11.4 QG2 ILE 129 - HB2 SER 124 far 0 65 0 - 9.7-10.4 QD2 LEU 119 - HB3 SER 51 far 0 70 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 9219 from cnoeabs.peaks (7.71, 3.94, 62.66 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.53: H LEU 53 + HB2 SER 51 OK 53 100 55 97 4.6-5.7 3.3/1620=67...(8) Violated in 20 structures by 0.83 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 3.4-4.0 9312/2.1=96, 2.1/9304=88...(17) QD2 LEU 53 - HA ALA 52 far 11 76 15 - 4.4-6.5 QD1 LEU 62 - HA ALA 52 far 6 57 10 - 5.2-6.9 QD1 LEU 48 - HA ALA 52 far 4 83 5 - 5.3-7.6 QD1 LEU 119 - HA ALA 52 far 0 100 0 - 6.1-9.5 QD1 LEU 123 - HA ALA 52 far 0 90 0 - 7.5-8.7 QG1 VAL 126 - HA ALA 52 far 0 95 0 - 8.8-10.2 QG2 VAL 126 - HA ALA 52 far 0 83 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 9230 from cnoeabs.peaks (0.66, 4.13, 54.53 ppm; 5.97 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 62 + HA ALA 52 OK 96 96 100 100 3.4-5.2 9232/2.1=100...(11) QD2 LEU 100 - HA ALA 52 far 0 92 0 - 9.0-11.2 Violated in 0 structures by 0.00 A. Peak 9231 from cnoeabs.peaks (0.90, 1.48, 18.03 ppm; 3.61 A): 3 out of 10 assignments used, quality = 0.96: QD1 LEU 62 + QB ALA 52 OK 81 98 85 98 3.1-5.1 2.1/10996=81, 11906=32...(10) QD2 LEU 48 + QB ALA 52 OK 72 100 100 72 2.9-3.2 9227/2.9=33...(11) QD1 LEU 49 + QB ALA 52 OK 24 99 30 81 3.0-5.7 3.2/9240=28, 4.7/9247=28...(11) QD1 LEU 48 - QB ALA 52 far 13 85 15 - 2.9-5.3 QD2 LEU 123 - QB ALA 52 poor 9 83 25 42 3.5-6.7 10348/10996=32...(5) QD1 LEU 123 - QB ALA 52 far 0 76 0 - 5.6-7.5 QG1 VAL 118 - QB ALA 52 far 0 100 0 - 6.6-8.9 QG2 VAL 63 - QB ALA 52 far 0 99 0 - 6.7-7.8 QG2 VAL 112 - QB ALA 52 far 0 85 0 - 9.4-11.9 QD1 LEU 22 - QB ALA 52 far 0 97 0 - 9.9-32.1 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 2 assignments used, quality = 0.96: QD2 LEU 62 + QB ALA 52 OK 96 96 100 100 1.8-3.2 10941=93, 9319/9317=55...(18) QD2 LEU 100 - QB ALA 52 far 0 92 0 - 5.9-7.8 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 3.8-4.8 11905=80, 1.8/11904=70...(12) HB3 LEU 53 - HA ALA 52 far 0 99 0 - 5.5-5.9 HG2 PRO 56 - HA ALA 52 far 0 99 0 - 7.0-8.1 HB3 PRO 56 - HA ALA 52 far 0 100 0 - 8.0-8.7 HG3 PRO 56 - HA ALA 52 far 0 99 0 - 8.2-9.1 HG2 PRO 58 - HA ALA 52 far 0 68 0 - 8.3-9.1 Violated in 13 structures by 0.15 A. Peak 9239 from cnoeabs.peaks (2.41, 4.13, 54.53 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.87: HG3 GLN 61 + HA ALA 52 OK 68 100 70 97 4.6-6.6 10936/9304=67...(5) HG3 GLU 55 + HA ALA 52 OK 61 96 65 98 2.3-6.4 3.0/9238=78...(9) Violated in 6 structures by 0.11 A. Peak 9240 from cnoeabs.peaks (1.94, 1.48, 18.03 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.93: HG LEU 53 + QB ALA 52 OK 79 99 85 93 3.3-6.0 1662/6662=50...(8) HB3 LEU 49 + QB ALA 52 OK 67 68 100 98 3.6-5.2 3.9/9247=51, 3.0/1631=45...(20) HB2 PRO 58 - QB ALA 52 far 0 99 0 - 7.4-8.3 HG2 PRO 113 - QB ALA 52 far 0 97 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 9241 from cnoeabs.peaks (2.06, 1.48, 18.03 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.93: HB2 LEU 62 + QB ALA 52 OK 69 100 70 99 4.7-6.1 3.1/10996=88...(7) HB VAL 57 + QB ALA 52 OK 57 57 100 100 3.6-4.3 2.1/9317=98, 2.1/9312=97...(17) HB3 GLU 55 + QB ALA 52 OK 47 87 55 99 4.2-6.4 ~9238=60, 11904/2.1=58...(9) HG3 PRO 58 - QB ALA 52 far 0 96 0 - 6.8-8.1 HB VAL 118 - QB ALA 52 far 0 100 0 - 8.4-10.7 HB2 GLN 127 - QB ALA 52 far 0 100 0 - 8.6-11.7 HB3 GLU 44 - QB ALA 52 far 0 87 0 - 9.9-11.8 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 = 0.89: HG3 GLN 61 + QB ALA 52 OK 70 71 100 99 2.3-4.8 3.5/9369=69, 3.5/9375=60...(9) HG3 GLU 55 + QB ALA 52 OK 64 99 65 100 3.5-7.3 ~10909=77, ~9238=68...(10) HB3 PRO 58 - QB ALA 52 far 0 76 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 9243 from cnoeabs.peaks (3.87, 1.48, 18.03 ppm; 5.56 A): 2 out of 5 assignments used, quality = 0.82: HA LEU 62 + QB ALA 52 OK 60 60 100 99 3.1-4.3 3.9/9232=93...(9) HB3 SER 50 + QB ALA 52 OK 54 93 65 89 6.0-6.8 4.7/9224=41, ~6650=25...(13) HA LEU 123 - QB ALA 52 poor 20 65 30 - 5.7-7.7 HA2 GLY 114 - QB ALA 52 far 0 99 0 - 7.0-14.5 HA ALA 46 - QB ALA 52 far 0 81 0 - 7.2-8.2 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 4 assignments used, quality = 0.56: HB2 SER 51 + HA ALA 52 OK 56 63 100 90 3.9-5.3 6649/2.9=53, 9219/3.6=36...(8) HB3 SER 50 - HA ALA 52 far 0 68 0 - 7.5-8.4 HD3 PRO 113 - HA ALA 52 far 0 76 0 - 9.6-15.8 HA2 GLY 111 - HA ALA 52 far 0 89 0 - 9.6-17.5 Violated in 1 structures by 0.01 A. Peak 9245 from cnoeabs.peaks (7.54, 4.13, 54.53 ppm; 6.74 A): 2 out of 3 assignments used, quality = 0.98: H THR 54 + HA ALA 52 OK 93 93 100 100 3.6-4.3 6669/3.6=93...(8) HE22 GLN 61 + HA ALA 52 OK 73 73 100 100 4.3-7.0 9297/9229=78, ~9375=76...(6) H LEU 119 - HA ALA 52 far 0 99 0 - 9.8-12.3 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 4.0-4.7 6674/2.1=91...(6) HE22 GLN 61 + QB ALA 52 OK 98 99 100 100 2.1-5.0 9369=87, 9371/9312=72...(9) H LEU 119 - QB ALA 52 far 0 98 0 - 7.1-9.4 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 4.3-5.3 11483/9232=83...(25) H LEU 123 - QB ALA 52 far 3 63 5 - 6.2-8.8 H VAL 126 - QB ALA 52 far 0 100 0 - 8.3-10.2 H LEU 69 - QB ALA 52 far 0 97 0 - 8.8-10.0 H GLY 111 - QB ALA 52 far 0 92 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 9248 from cnoeabs.peaks (8.02, 4.18, 56.53 ppm; 5.93 A): 2 out of 3 assignments used, quality = 0.99: H ALA 52 + HA LEU 53 OK 98 98 100 100 5.0-5.4 10963/3.8=80...(13) H VAL 57 + HA LEU 53 OK 34 95 100 36 5.8-6.3 11005/9252=28, 9261/9264=10 H CYS 125 - HA LEU 53 far 0 73 0 - 9.7-11.4 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 1.8-5.0 10038=99, 10338/1679=73...(13) QD2 LEU 100 - HA LEU 53 far 0 100 0 - 6.6-11.2 Violated in 1 structures by 0.03 A. Peak 9253 from cnoeabs.peaks (0.68, 1.94, 27.00 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 62 + HG LEU 53 OK 94 99 95 100 1.8-6.4 10338/2.1=85...(11) QD2 LEU 100 - HG LEU 53 lone 2 100 30 5 5.3-11.5 11387/1667=3 Violated in 2 structures by 0.09 A. Peak 9254 from cnoeabs.peaks (3.87, 0.97, 25.20 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.67: HA LEU 123 + QD2 LEU 53 OK 52 65 90 89 2.7-6.6 2.9/11818=57, ~11571=39...(12) HA LEU 62 + QD2 LEU 53 OK 31 60 65 78 3.4-9.7 3.9/10338=75, ~10940=8...(4) HA2 GLY 114 - QD2 LEU 53 poor 20 99 20 - 4.0-11.4 HB3 SER 50 - QD2 LEU 53 far 5 93 5 - 5.2-8.1 HA ALA 46 - QD2 LEU 53 far 0 81 0 - 6.4-10.5 HD2 PRO 117 - QD2 LEU 53 far 0 92 0 - 8.1-11.7 Violated in 6 structures by 0.26 A. Peak 9255 from cnoeabs.peaks (2.94, 0.97, 25.20 ppm; 5.31 A): 0 out of 2 assignments used, quality = 0.00: HB3 ASN 116 - QD2 LEU 53 far 10 100 10 - 6.1-9.8 HB2 CYS 45 - QD2 LEU 53 far 0 100 0 - 9.1-13.9 Violated in 20 structures by 2.11 A. Peak 9256 from cnoeabs.peaks (2.28, 0.97, 25.20 ppm; 5.08 A): 0 out of 3 assignments used, quality = 0.00: HG2 GLN 61 - QD2 LEU 53 far 5 100 5 - 6.0-11.7 HB3 PRO 113 - QD2 LEU 53 far 0 100 0 - 6.4-11.9 HG2 GLU 97 - QD2 LEU 53 far 0 99 0 - 9.9-15.9 Violated in 20 structures by 2.12 A. Peak 9260 from cnoeabs.peaks (4.35, 0.97, 25.20 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.60: HA ASN 59 + QD2 LEU 53 OK 48 95 80 63 5.3-11.4 9387/10338=59, 10700/1683=8 HA PRO 117 + QD2 LEU 53 OK 23 83 80 35 5.9-9.0 10236/1685=17...(3) HA ASP 47 - QD2 LEU 53 far 10 100 10 - 7.4-9.9 HA PRO 113 - QD2 LEU 53 lone 1 71 40 3 5.9-10.3 HA CYS 125 - QD2 LEU 53 far 0 99 0 - 8.1-10.3 HA LEU 69 - QD2 LEU 53 far 0 90 0 - 9.2-14.9 Violated in 3 structures by 0.16 A. Peak 9263 from cnoeabs.peaks (4.18, 1.24, 21.56 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.95: HA LEU 53 + QG2 THR 54 OK 95 100 100 95 4.5-4.7 3.6/6684=57, 3.0/9272=53...(7) HA GLU 128 - QG2 THR 54 far 0 92 0 - 9.9-12.7 Violated in 20 structures by 0.72 A. Peak 9269 from cnoeabs.peaks (2.06, 4.42, 61.58 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.72: HB3 GLU 55 + HA THR 54 OK 72 78 100 92 4.9-5.3 6693/3.6=58, ~9268=33...(7) HG3 PRO 113 - HA THR 54 far 0 100 0 - 8.9-13.6 HB VAL 57 - HA THR 54 far 0 68 0 - 9.3-10.4 Violated in 20 structures by 0.44 A. Peak 9272 from cnoeabs.peaks (1.97, 1.24, 21.56 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.69: HB3 LEU 53 + QG2 THR 54 OK 69 71 100 97 2.8-4.5 3.0/9263=73, 3.1/9278=63...(6) HB2 GLU 55 - QG2 THR 54 far 0 78 0 - 6.3-6.7 Violated in 1 structures by 0.00 A. Peak 9275 from cnoeabs.peaks (0.90, 1.24, 21.56 ppm; 3.24 A): 2 out of 7 assignments used, quality = 0.83: QD2 LEU 123 + QG2 THR 54 OK 66 85 85 91 1.8-6.3 11510=69, 2.1/11640=33...(10) QD1 LEU 123 + QG2 THR 54 OK 50 73 80 85 3.0-6.0 2.1/11510=61, 11584=31...(9) QD1 LEU 49 - QG2 THR 54 far 0 98 0 - 5.1-8.8 QD1 LEU 62 - QG2 THR 54 far 0 97 0 - 5.9-7.9 QD2 LEU 48 - QG2 THR 54 far 0 100 0 - 6.7-7.5 QD1 LEU 48 - QG2 THR 54 far 0 83 0 - 7.3-9.2 QG1 VAL 118 - QG2 THR 54 far 0 100 0 - 8.4-11.4 Violated in 7 structures by 0.28 A. Peak 9277 from cnoeabs.peaks (0.88, 4.42, 61.58 ppm; 5.12 A): 2 out of 5 assignments used, quality = 0.70: QD2 LEU 123 + HA THR 54 OK 60 100 60 100 3.5-8.8 11510/1698=95, ~11640=37...(10) QG2 VAL 57 + HA THR 54 OK 26 81 50 65 5.8-6.7 9295/3.0=57, 9280/3.6=18 QD1 LEU 49 - HA THR 54 far 0 60 0 - 7.5-11.7 QD2 LEU 48 - HA THR 54 far 0 71 0 - 9.2-9.7 QG1 VAL 118 - HA THR 54 far 0 90 0 - 9.6-13.4 Violated in 8 structures by 0.25 A. Peak 9278 from cnoeabs.peaks (0.78, 1.24, 21.56 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.96: QD1 LEU 53 + QG2 THR 54 OK 96 97 100 99 1.7-4.6 3.1/9272=64...(10) QD2 LEU 119 - QG2 THR 54 far 0 87 0 - 5.6-9.5 QD1 LEU 122 - QG2 THR 54 far 0 73 0 - 5.8-9.5 QD2 LEU 122 - QG2 THR 54 far 0 100 0 - 6.2-10.9 QD2 LEU 49 - QG2 THR 54 far 0 93 0 - 6.5-8.3 QD1 LEU 103 - QG2 THR 54 far 0 100 0 - 8.4-11.3 QD1 LEU 96 - QG2 THR 54 far 0 97 0 - 8.7-12.5 Violated in 4 structures by 0.04 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 1.8-4.0 4.8=87, 4.8/6692=55...(27) HD3 PRO 56 + HB2 GLU 55 OK 100 100 100 100 1.7-3.8 4.8=87, 4.8/6692=55...(26) Violated in 0 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (3.65, 2.04, 30.10 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB3 GLU 55 OK 100 100 100 100 2.9-4.9 4.8=74, 4.8/6693=48...(34) HD3 PRO 56 + HB3 GLU 55 OK 100 100 100 100 3.0-4.9 4.8=74, 4.8/6693=48...(33) Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (3.65, 2.47, 33.76 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HG2 GLU 55 OK 100 100 100 100 4.2-5.5 4.8/6694=53, 9291/1.8=45...(29) HD2 PRO 56 + HG2 GLU 55 OK 94 99 95 100 4.0-5.6 4.8/6694=53, 10912=44...(30) Violated in 0 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (3.63, 2.40, 33.76 ppm; 4.46 A): 3 out of 8 assignments used, quality = 0.94: HD3 PRO 56 + HG3 GLU 55 OK 70 83 85 100 2.8-5.8 4.8/6695=48, 9291=38...(28) HD2 PRO 56 + HG3 GLU 55 OK 56 63 90 100 2.7-5.9 4.8/6695=48, 1.8/9291=41...(29) HD2 PRO 58 + HG3 GLN 61 OK 52 61 85 99 3.0-6.3 10934/1.8=62...(16) HD2 PRO 58 - HG3 GLU 55 far 0 97 0 - 6.2-10.2 HA3 GLY 66 - HG3 GLN 61 far 0 67 0 - 8.1-10.6 HA2 GLY 66 - HG3 GLN 61 far 0 67 0 - 8.3-11.1 HD2 PRO 56 - HG3 GLN 61 far 0 35 0 - 8.9-11.2 HD3 PRO 56 - HG3 GLN 61 far 0 49 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 9285 from cnoeabs.peaks (3.83, 2.47, 33.76 ppm; 6.70 A): 1 out of 5 assignments used, quality = 0.40: HD2 PRO 81 + HG3 GLN 82 OK 40 40 100 100 4.0-6.9 ~11247=72, ~11250=68...(12) HD3 PRO 58 - HG2 GLU 55 far 15 99 15 - 7.0-10.8 HB2 SER 50 - HG2 GLU 55 far 0 97 0 - 8.0-11.8 HA LEU 62 - HG2 GLU 55 far 0 87 0 - 8.1-12.4 HA LEU 123 - HG2 GLU 55 far 0 83 0 - 9.9-14.8 Violated in 10 structures by 0.03 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: HB3 SER 60 - HG3 GLN 61 poor 19 39 50 - 5.7-8.4 HB2 SER 60 - HG3 GLN 61 poor 6 39 55 26 4.4-8.4 4.6/1952=20...(3) HA2 GLY 114 - HG3 GLU 55 far 0 100 0 - 8.0-15.7 HB3 SER 50 - HG3 GLU 55 far 0 99 0 - 8.4-12.6 HA2 GLY 114 - HG3 GLN 61 far 0 67 0 - 9.8-18.2 Violated in 2 structures by 0.00 A. Peak 9287 from cnoeabs.peaks (1.58, 2.47, 33.76 ppm; 4.70 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 123 - HG2 GLU 55 far 0 90 0 - 7.8-12.4 HG LEU 49 - HG2 GLU 55 far 0 97 0 - 8.7-13.2 Violated in 20 structures by 4.28 A. Peak 9288 from cnoeabs.peaks (1.23, 2.47, 33.76 ppm; 5.28 A): 1 out of 4 assignments used, quality = 0.88: QG2 THR 54 + HG2 GLU 55 OK 88 90 100 97 4.7-5.3 4.2/6694=74, 9289/1.8=57...(5) HG12 ILE 80 - HG3 GLN 82 far 3 55 5 - 5.1-9.9 QG2 THR 83 - HG3 GLN 82 far 0 54 0 - 6.2-7.7 QG2 THR 65 - HG2 GLU 55 far 0 100 0 - 7.1-11.3 Violated in 2 structures by 0.00 A. Peak 9289 from cnoeabs.peaks (1.21, 2.40, 33.76 ppm; 6.40 A): 2 out of 5 assignments used, quality = 0.82: QG2 THR 54 + HG3 GLU 55 OK 63 63 100 100 4.1-6.5 9288/1.8=95, 4.2/6695=92...(4) QG2 THR 65 + HG3 GLN 61 OK 53 55 100 96 4.4-7.2 11024/1.8=85...(3) QG2 THR 25 - HG3 GLN 61 far 2 39 5 - 3.3-33.7 QG2 THR 65 - HG3 GLU 55 far 0 90 0 - 7.8-12.2 QG2 THR 54 - HG3 GLN 61 far 0 35 0 - 8.9-10.9 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 2.8-5.8 6695/4.8=58, 1.8/9283=49...(28) HG3 GLU 55 + HD2 PRO 56 OK 77 77 100 100 2.7-5.9 6695/4.8=58, 1.8/9283=52...(29) 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 10 assignments used, quality = 0.98: QG1 VAL 57 + HD3 PRO 56 OK 88 89 100 100 4.8-5.9 10920/3.6=79...(10) QG1 VAL 57 + HD2 PRO 56 OK 81 81 100 100 4.7-5.9 10920/3.6=79...(11) QD1 LEU 119 - HD3 PRO 56 poor 19 97 20 - 6.7-11.0 QD1 LEU 119 - HD2 PRO 56 far 5 91 5 - 7.2-10.5 QD1 LEU 62 - HD2 PRO 56 far 0 79 0 - 7.5-9.4 QD1 LEU 62 - HD3 PRO 56 far 0 87 0 - 7.5-9.4 QG2 VAL 112 - HD3 PRO 56 far 0 99 0 - 8.3-13.5 QG2 VAL 112 - HD2 PRO 56 far 0 93 0 - 9.0-13.3 QD2 LEU 48 - HD3 PRO 56 far 0 76 0 - 9.0-11.4 QD2 LEU 48 - HD2 PRO 56 far 0 68 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9293 from cnoeabs.peaks (7.76, 3.65, 49.73 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: H GLU 55 + HD3 PRO 56 OK 100 100 100 100 4.7-4.9 4.8=100 H GLU 55 + HD2 PRO 56 OK 95 95 100 100 4.7-4.9 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 7 assignments used, quality = 0.32: QG1 VAL 57 + HG2 GLU 55 OK 32 71 50 90 3.7-6.0 9315/3.0=43, ~9314=39...(9) QD1 LEU 62 - HG2 GLU 55 far 0 97 0 - 5.8-9.6 QD2 LEU 48 - HG2 GLU 55 far 0 92 0 - 6.1-8.3 QD1 LEU 49 - HG2 GLU 55 far 0 97 0 - 6.5-12.6 QD1 LEU 119 - HG2 GLU 55 far 0 87 0 - 7.1-11.2 QD1 LEU 123 - HG2 GLU 55 far 0 100 0 - 7.4-11.2 QD1 LEU 48 - HG2 GLU 55 far 0 100 0 - 8.5-10.9 Violated in 15 structures by 0.98 A. Peak 9295 from cnoeabs.peaks (7.53, 0.86, 19.35 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.51: H THR 54 + QG2 VAL 57 OK 51 81 95 67 4.7-5.4 6674/9304=37...(4) H LEU 119 - QG2 VAL 57 far 0 93 0 - 6.4-8.7 Violated in 20 structures by 0.63 A. Peak 9296 from cnoeabs.peaks (7.45, 0.86, 19.35 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.88: H LEU 62 + QG2 VAL 57 OK 88 89 100 99 4.1-5.2 2.9/9305=79...(10) H GLN 61 - QG2 VAL 57 poor 14 57 25 - 5.2-5.8 HE22 GLN 127 - QG2 VAL 57 far 0 71 0 - 9.9-12.4 Violated in 11 structures by 0.13 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 1.9-5.1 1.7/9376=97, 3.5/9377=89...(15) H THR 54 - QG1 VAL 57 far 9 95 10 - 6.3-6.9 H LEU 119 - QG1 VAL 57 far 0 99 0 - 9.0-11.2 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 5.1-5.6 4.5/9377=73...(9) H LEU 62 + QG1 VAL 57 OK 99 99 100 100 4.8-5.8 6795/10923=82...(12) 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 2.4-5.1 9376=97, 3.5/9377=95...(13) HE21 GLN 68 - QG1 VAL 57 far 0 87 0 - 9.5-12.2 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 2.0-5.0 9376/2.1=96...(13) HE21 GLN 68 - QG2 VAL 57 far 0 87 0 - 9.4-12.3 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 1.9-3.6 9309/2.1=85, 9306/2.1=81...(22) HD3 PRO 56 - HB VAL 57 far 0 73 0 - 7.3-8.3 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 1.9-3.7 9308/2.1=84, 1.8/9302=79...(21) HA LEU 62 - HB VAL 57 far 0 78 0 - 5.1-6.5 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 2.4-3.4 2.1/9317=92, 10908=76...(16) HA3 GLY 114 - QG2 VAL 57 far 4 87 5 - 4.4-12.4 Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (3.83, 0.86, 19.35 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.99: HD3 PRO 58 + QG2 VAL 57 OK 97 97 100 100 3.6-4.7 9308/2.1=86, 1.8/9306=86...(24) HA LEU 62 + QG2 VAL 57 OK 72 92 80 98 4.3-5.7 1998/9319=64...(10) HA LEU 123 - QG2 VAL 57 far 0 89 0 - 8.1-9.3 HB2 SER 50 - QG2 VAL 57 far 0 99 0 - 8.7-9.7 HA VAL 118 - QG2 VAL 57 far 0 92 0 - 9.3-11.4 Violated in 5 structures by 0.01 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 3.6-4.6 9309/2.1=87, 9302/2.1=75...(26) HD3 PRO 56 - QG2 VAL 57 poor 12 60 20 - 4.4-5.5 HA3 GLY 66 - QG2 VAL 57 far 0 95 0 - 8.4-9.7 HA2 GLY 66 - QG2 VAL 57 far 0 99 0 - 8.6-9.9 Violated in 4 structures by 0.09 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 3.4-4.0 2.1/9312=100, ~9317=100...(17) HA LEU 49 + QG1 VAL 57 OK 40 85 100 48 6.2-7.4 1631/9312=46 HA3 GLY 114 - QG1 VAL 57 poor 20 100 20 - 6.7-14.4 HA LEU 48 - QG1 VAL 57 far 4 89 5 - 7.6-9.0 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 1.9-3.1 3.9=100 HA LEU 62 - QG1 VAL 57 far 0 78 0 - 5.5-6.9 HB2 SER 50 - QG1 VAL 57 far 0 93 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 9309 from cnoeabs.peaks (3.63, 0.95, 21.50 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: HD2 PRO 58 + QG1 VAL 57 OK 99 99 100 100 1.9-2.8 3.9=100 HD3 PRO 56 - QG1 VAL 57 poor 18 71 25 - 4.8-5.9 HA3 GLY 66 - QG1 VAL 57 far 0 98 0 - 9.7-11.0 HA2 GLY 66 - QG1 VAL 57 far 0 100 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9311 from cnoeabs.peaks (1.65, 0.95, 21.50 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.85: HG LEU 62 + QG1 VAL 57 OK 85 100 85 100 4.0-5.7 2.1/10923=91...(11) HG LEU 119 - QG1 VAL 57 far 0 63 0 - 7.1-9.9 HD3 LYS 24 - QG1 VAL 57 far 0 97 0 - 8.4-37.5 HD2 LYS 26 - QG1 VAL 57 far 0 97 0 - 8.8-38.6 HD3 LYS 26 - QG1 VAL 57 far 0 99 0 - 9.4-37.7 HD2 LYS 24 - QG1 VAL 57 far 0 97 0 - 9.4-38.6 Violated in 18 structures by 0.47 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 2.4-3.9 9317/2.1=92...(15) HB2 LEU 49 - QG1 VAL 57 far 0 89 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 9314 from cnoeabs.peaks (1.98, 0.86, 19.35 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.92: HB2 GLU 55 + QG2 VAL 57 OK 92 97 100 96 3.4-4.2 9315/2.1=74...(12) HB3 PRO 56 - QG2 VAL 57 far 0 81 0 - 4.7-5.0 HG2 PRO 56 - QG2 VAL 57 far 0 63 0 - 4.8-5.4 HB3 LEU 53 - QG2 VAL 57 far 0 93 0 - 5.6-6.4 HG3 PRO 56 - QG2 VAL 57 far 0 63 0 - 5.8-6.3 Violated in 13 structures by 0.22 A. Peak 9315 from cnoeabs.peaks (1.98, 0.95, 21.50 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.95: HB2 GLU 55 + QG1 VAL 57 OK 92 99 100 93 3.5-4.5 9314/2.1=72, 3.0/9294=36...(9) HG2 PRO 56 + QG1 VAL 57 OK 40 73 70 78 4.3-4.8 3.8/10920=38...(8) HB3 PRO 56 - QG1 VAL 57 far 0 89 0 - 4.6-5.0 HG3 PRO 56 - QG1 VAL 57 far 0 73 0 - 5.8-6.2 HB3 LEU 53 - QG1 VAL 57 far 0 97 0 - 7.4-8.2 Violated in 9 structures by 0.09 A. Peak 9316 from cnoeabs.peaks (1.65, 0.86, 19.35 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.99: HG LEU 62 + QG2 VAL 57 OK 99 99 100 100 2.3-4.0 2.1/9319=80, 9311/2.1=51...(10) HB2 LEU 123 - QG2 VAL 57 far 0 100 0 - 8.0-10.1 Violated in 2 structures by 0.02 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 1.9-2.7 9312/2.1=62, 10964=55...(18) HB2 LEU 49 - QG2 VAL 57 far 0 87 0 - 6.4-8.6 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 65 - QG2 VAL 57 far 0 83 0 - 5.4-7.1 QG2 THR 54 - QG2 VAL 57 far 0 99 0 - 5.9-6.2 Violated in 20 structures by 1.22 A. Peak 9319 from cnoeabs.peaks (0.67, 0.86, 19.35 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + QG2 VAL 57 OK 100 100 100 100 2.1-3.3 10032=75, 2.1/9316=58...(12) QD2 LEU 100 - QG2 VAL 57 far 0 100 0 - 6.7-8.8 Violated in 1 structures by 0.00 A. Peak 9321 from cnoeabs.peaks (1.46, 2.09, 32.84 ppm; 6.30 A): 1 out of 2 assignments used, quality = 0.85: QB ALA 52 + HB VAL 57 OK 85 85 100 100 3.6-4.3 ~9304=93, 9312/2.1=92...(17) HG3 LYS 24 - HB VAL 57 far 0 92 0 - 9.8-44.8 Violated in 0 structures by 0.00 A. Peak 9322 from cnoeabs.peaks (2.00, 4.59, 58.62 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: HB3 PRO 56 + HA VAL 57 OK 98 100 100 98 4.3-4.3 ~6697=46, ~10919=37...(18) HG2 PRO 56 + HA VAL 57 OK 81 100 100 82 5.0-5.1 ~9292=24, 6700/3.0=21...(11) HG2 PRO 58 + HA VAL 57 OK 73 73 100 100 4.5-4.7 ~9309=43, ~9308=42...(25) HB2 GLU 55 - HA VAL 57 far 0 96 0 - 5.6-6.5 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 8 assignments used, quality = 0.99: QG1 VAL 57 + HD2 PRO 58 OK 99 99 100 100 1.9-2.8 3.9=100 QD1 LEU 62 - HD2 PRO 58 far 9 63 15 - 4.5-7.7 QD1 LEU 119 - HD2 PRO 58 far 0 100 0 - 6.5-9.8 QD2 LEU 53 - HD2 PRO 58 far 0 71 0 - 7.1-11.3 QG2 VAL 112 - HD2 PRO 58 far 0 87 0 - 7.9-11.8 QD1 LEU 49 - HD2 PRO 58 far 0 60 0 - 8.1-13.1 QD1 LEU 48 - HD2 PRO 58 far 0 87 0 - 8.2-11.4 QG1 VAL 112 - HD2 PRO 58 far 0 68 0 - 8.4-12.1 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 3.6-4.6 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 8 assignments used, quality = 0.99: QG1 VAL 57 + HD3 PRO 58 OK 99 99 100 100 1.9-3.1 3.9=100 QD1 LEU 62 - HD3 PRO 58 far 0 63 0 - 5.3-7.3 QD1 LEU 119 - HD3 PRO 58 far 0 100 0 - 6.9-9.6 QG2 VAL 112 - HD3 PRO 58 far 0 87 0 - 7.2-12.3 QG1 VAL 112 - HD3 PRO 58 far 0 68 0 - 7.6-11.5 QD2 LEU 53 - HD3 PRO 58 far 0 71 0 - 7.8-12.1 QD1 LEU 48 - HD3 PRO 58 far 0 87 0 - 8.7-11.7 QD1 LEU 49 - HD3 PRO 58 far 0 60 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 9326 from cnoeabs.peaks (0.84, 3.82, 50.62 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.76: QG2 VAL 57 + HD3 PRO 58 OK 76 76 100 100 3.6-4.7 4.6=100 Violated in 15 structures by 0.04 A. Peak 9327 from cnoeabs.peaks (0.81, 1.95, 32.16 ppm; 6.80 A): 2 out of 19 assignments used, quality = 0.86: QD2 LEU 119 + HB2 PRO 58 OK 77 97 85 93 6.6-11.3 10927/2.3=90...(3) QG2 ILE 129 + HB2 LYS 95 OK 41 72 70 82 7.3-8.8 9946/9948=81 QD2 LEU 122 - HB3 LYS 95 poor 15 53 70 39 5.3-8.4 11828/11652=13...(9) QD1 LEU 122 - HB3 LYS 95 far 13 83 15 - 6.8-9.0 QD1 LEU 122 - HB2 LYS 95 far 11 76 15 - 7.3-9.7 QD2 LEU 122 - HB2 LYS 95 poor 10 47 55 37 5.8-9.0 11828/11652=12...(9) QD1 LEU 70 - HB2 LYS 95 far 7 75 10 - 7.2-9.2 QG1 VAL 63 - HB2 PRO 58 far 6 60 10 - 7.6-8.2 QD1 LEU 70 - HB3 LYS 95 far 0 82 0 - 7.9-9.7 QG2 ILE 129 - HB3 LYS 95 far 0 79 0 - 8.3-10.0 QD2 LEU 49 - HB3 LYS 95 far 0 73 0 - 8.9-11.2 QD2 LEU 49 - HB2 PRO 58 far 0 92 0 - 9.1-12.1 QD2 LEU 22 - HB2 PRO 58 far 0 57 0 - 9.1-39.6 QD2 LEU 49 - HB2 LYS 95 far 0 65 0 - 9.2-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 61 0 - 9.2-13.1 QD1 LEU 122 - HB2 PRO 58 far 0 100 0 - 9.2-11.9 QD1 LEU 53 - HB2 PRO 58 far 0 87 0 - 9.3-13.7 QD1 LEU 53 - HB3 LYS 95 far 0 68 0 - 9.3-12.7 QD2 LEU 122 - HB2 PRO 58 far 0 71 0 - 9.4-12.7 Violated in 5 structures by 0.12 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 4.0-4.4 10975=98, 9338/2.3=83...(14) 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 4.3-4.8 10981/1.8=72...(9) H LEU 62 - HB3 PRO 58 far 10 100 10 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 9332 from cnoeabs.peaks (8.65, 1.95, 32.16 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.84: H SER 60 + HB2 PRO 58 OK 84 85 100 99 2.3-2.9 10975/1.8=72...(14) Violated in 0 structures by 0.00 A. Peak 9333 from cnoeabs.peaks (7.44, 1.95, 32.16 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.95: H GLN 61 + HB2 PRO 58 OK 82 87 100 95 2.7-3.3 9331/1.8=61, 4.6/9332=44...(10) H LEU 62 + HB2 PRO 58 OK 72 100 95 76 4.9-5.7 3.9/10981=31...(8) HE22 GLN 104 - HB2 PRO 58 far 0 97 0 - 9.6-12.0 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 3.8-4.4 9338=94, 10975/2.3=91...(13) 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 5 assignments used, quality = 1.00: QG2 VAL 63 + HB2 ASN 59 OK 100 100 100 100 3.0-5.2 10967=100, 10968/1.8=85...(16) QD1 LEU 62 + HB2 ASN 59 OK 95 100 95 100 3.9-6.0 10947=96, 9388/3.0=89...(28) QG1 VAL 118 + HB2 ASN 59 OK 28 97 40 73 5.3-8.6 11612/11833=34...(9) QG2 VAL 112 - HB2 ASN 59 poor 16 93 45 39 3.6-8.2 10732/9353=30...(4) QD1 LEU 49 - HB2 ASN 59 far 0 100 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (0.77, 2.62, 38.37 ppm; 4.83 A): 3 out of 6 assignments used, quality = 0.98: QD1 LEU 103 + HB2 ASN 59 OK 95 95 100 100 1.9-5.4 11833=91, 11834/1.8=84...(19) QD2 LEU 103 + HB2 ASN 59 OK 60 63 95 100 1.8-6.2 2.1/11833=85, ~11834=65...(20) QG1 VAL 63 + HB2 ASN 59 OK 23 93 25 99 5.3-7.7 2.1/10967=84, ~10968=56...(11) QD2 LEU 122 - HB2 ASN 59 far 0 87 0 - 6.3-10.7 QD1 LEU 53 - HB2 ASN 59 far 0 71 0 - 8.2-13.1 QD2 LEU 49 - HB2 ASN 59 far 0 63 0 - 8.6-12.0 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 = 0.81: QB ALA 109 + HB3 ASN 59 OK 73 81 95 95 3.0-6.8 9353/1.8=71...(8) QB ALA 108 + HB3 ASN 59 OK 29 71 75 54 1.9-7.6 9341/3.5=29, 9346/3.5=20...(4) QB ALA 110 - HB3 ASN 59 poor 14 65 75 28 2.0-8.6 9349/6718=17, 9353/1.8=6...(4) Violated in 0 structures by 0.00 A. Peak 9357 from cnoeabs.peaks (0.91, 2.87, 38.37 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 63 + HB3 ASN 59 OK 100 100 100 100 3.3-5.1 10967/1.8=87, 10968=69...(16) QD1 LEU 62 + HB3 ASN 59 OK 60 100 60 100 4.6-6.2 9388/3.0=83...(28) QG2 VAL 112 - HB3 ASN 59 poor 14 97 40 35 4.0-7.7 11496/9356=28...(4) QD1 LEU 119 - HB3 ASN 59 far 9 63 15 - 4.6-7.9 QG1 VAL 118 - HB3 ASN 59 far 5 93 5 - 5.1-8.3 QD1 LEU 49 - HB3 ASN 59 far 0 100 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 9358 from cnoeabs.peaks (0.91, 4.33, 38.37 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9359 from cnoeabs.peaks (1.40, 4.33, 56.25 ppm; 3.97 A): 1 out of 12 assignments used, quality = 0.77: HG2 LYS 24 + HA LYS 24 OK 77 77 100 100 2.1-3.5 4.1=90, 1.8/524=86...(33) QB ALA 109 - HA ASN 59 far 10 98 10 - 4.7-8.7 QB ALA 108 - HA ASN 59 far 5 95 5 - 4.2-9.2 QB ALA 110 - HA ASN 59 far 5 92 5 - 4.3-10.0 HG3 LYS 31 - HA LYS 24 far 5 92 5 - 4.7-20.7 HG3 LYS 26 - HA LYS 24 far 0 81 0 - 5.0-9.3 QB ALA 28 - HA LYS 24 far 0 84 0 - 5.6-12.8 QB ALA 34 - HA LYS 24 far 0 71 0 - 6.5-24.2 QB ALA 29 - HA LYS 24 far 0 79 0 - 7.2-14.5 QB ALA 16 - HA LYS 24 far 0 92 0 - 9.1-16.2 HB3 LEU 100 - HA ASN 59 far 0 87 0 - 9.5-11.8 HB2 LEU 42 - HA ASP 47 far 0 39 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9360 from cnoeabs.peaks (1.15, 4.33, 56.25 ppm; 4.81 A): 1 out of 7 assignments used, quality = 1.00: HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 2.5-5.1 1.8/1880=99, 3.2/9388=81...(23) QG2 THR 115 - HA ASN 59 far 9 92 10 - 5.2-9.0 HG12 ILE 32 - HA LYS 24 far 4 86 5 - 4.7-18.8 QG2 THR 18 - HA LYS 24 far 0 69 0 - 7.0-13.3 QB ALA 41 - HA LYS 24 far 0 71 0 - 9.5-22.8 QG2 VAL 132 - HA ASP 47 far 0 48 0 - 9.8-11.1 QB ALA 41 - HA ASP 47 far 0 36 0 - 9.9-10.8 Violated in 8 structures by 0.06 A. Peak 9361 from cnoeabs.peaks (0.92, 4.33, 56.25 ppm; 3.48 A): 2 out of 19 assignments used, quality = 1.00: QD1 LEU 62 + HA ASN 59 OK 99 100 100 100 1.9-3.6 9388=80, 3.2/1880=51...(19) QG2 VAL 63 + HA ASN 59 OK 91 99 100 92 3.5-4.2 10967/3.0=38...(15) QD1 LEU 49 - HA ASP 47 poor 18 52 35 - 3.9-6.9 QD1 LEU 22 - HA LYS 24 poor 14 66 35 60 3.7-7.7 10733/6219=29...(7) QD1 LEU 119 - HA ASN 59 poor 12 73 35 45 3.7-6.2 2.1/10700=14...(9) QG2 VAL 20 - HA LYS 24 far 3 59 5 - 4.0-9.3 QD1 LEU 48 - HA ASP 47 far 0 51 0 - 4.7-7.1 QD1 LEU 123 - HA ASP 47 far 0 49 0 - 5.1-7.2 QG2 VAL 112 - HA ASN 59 far 0 99 0 - 5.2-9.0 QG1 VAL 118 - HA ASN 59 far 0 87 0 - 5.3-7.4 QG1 VAL 20 - HA LYS 24 far 0 89 0 - 6.0-10.1 QD2 LEU 48 - HA ASP 47 far 0 49 0 - 6.1-6.7 QD1 LEU 48 - HA LYS 24 far 0 92 0 - 7.0-29.7 QD1 LEU 49 - HA ASN 59 far 0 100 0 - 7.6-10.7 QD2 LEU 48 - HA LYS 24 far 0 90 0 - 8.6-30.6 QD2 LEU 48 - HA ASN 59 far 0 98 0 - 9.6-11.1 QD1 LEU 48 - HA ASN 59 far 0 99 0 - 9.6-12.5 QG2 ILE 37 - HA LYS 24 far 0 77 0 - 9.8-22.4 QD1 LEU 62 - HA ASP 47 far 0 52 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 9362 from cnoeabs.peaks (0.75, 4.33, 56.25 ppm; 5.26 A): 1 out of 7 assignments used, quality = 0.99: QD2 LEU 103 + HA ASN 59 OK 99 99 100 100 2.1-5.1 10350=94, 11829/3.0=80...(26) QD2 LEU 43 - HA ASP 47 poor 10 51 20 - 5.4-7.2 QD1 ILE 32 - HA LYS 24 far 5 54 10 - 5.2-15.9 QD1 LEU 96 - HA ASP 47 far 0 33 0 - 8.2-9.9 HG12 ILE 129 - HA ASP 47 far 0 53 0 - 8.3-12.1 QD2 LEU 96 - HA ASP 47 far 0 53 0 - 8.5-9.7 QD1 LEU 96 - HA ASN 59 far 0 76 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 9363 from cnoeabs.peaks (0.77, 2.87, 38.37 ppm; 5.44 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 103 + HB3 ASN 59 OK 98 98 100 100 2.4-6.3 11834=95, 11833/1.8=95...(20) QD2 LEU 119 + HB3 ASN 59 OK 42 63 85 80 4.0-9.2 9355/1.8=31...(10) QG1 VAL 63 + HB3 ASN 59 OK 24 97 25 99 5.7-7.6 ~10967=75, 2.1/10968=65...(11) QD2 LEU 122 - HB3 ASN 59 far 5 93 5 - 6.0-11.1 QD1 LEU 53 - HB3 ASN 59 far 0 81 0 - 8.6-13.9 QD2 LEU 49 - HB3 ASN 59 far 0 73 0 - 9.0-11.7 QD1 LEU 96 - HB3 ASN 59 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (1.56, 2.87, 38.37 ppm; 6.45 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 103 + HB3 ASN 59 OK 100 100 100 100 3.7-7.3 2.1/11834=99, ~11833=92...(21) HB2 LEU 103 + HB3 ASN 59 OK 30 85 35 100 4.8-8.3 3.2/11834=96, ~11833=81...(21) HB2 LEU 119 - HB3 ASN 59 far 5 95 5 - 7.3-10.8 Violated in 1 structures by 0.01 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 - 8.1-11.6 Violated in 20 structures by 3.37 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 6 assignments used, quality = 1.00: QG1 VAL 57 + HG2 GLN 61 OK 100 100 100 100 1.9-4.8 10937/1.8=75...(29) QD1 LEU 48 - HG2 GLN 61 poor 20 78 25 - 4.3-7.9 QD2 LEU 53 - HG2 GLN 61 far 0 81 0 - 6.0-11.7 QD1 LEU 119 - HG2 GLN 61 far 0 100 0 - 8.2-10.8 QG1 VAL 126 - HG2 GLN 61 far 0 97 0 - 9.6-12.5 QG2 VAL 126 - HG2 GLN 61 far 0 87 0 - 9.9-12.0 Violated in 9 structures by 0.15 A. Peak 9378 from cnoeabs.peaks (0.87, 2.10, 28.56 ppm; 3.97 A): 3 out of 14 assignments used, quality = 0.98: QG2 VAL 57 + HB3 GLN 61 OK 96 96 100 100 3.2-4.2 10936/3.0=60...(32) QG2 VAL 57 + HB2 GLN 61 OK 52 95 55 100 3.4-5.5 10936/3.0=60...(33) QG1 VAL 118 + HB2 GLU 102 OK 27 36 75 100 2.8-5.8 ~11545=51, 11606/1.8=45...(21) QD1 LEU 98 - HB2 GLU 102 poor 11 55 20 - 3.5-8.5 QD2 LEU 98 - HB2 GLU 102 far 0 61 0 - 6.1-8.3 QD2 LEU 70 - HB2 GLU 102 far 0 47 0 - 7.7-10.2 QG1 VAL 118 - HB2 GLN 61 far 0 70 0 - 8.0-11.8 QD1 LEU 22 - HB2 GLN 61 far 0 82 0 - 8.0-39.5 QD2 LEU 69 - HB3 GLN 61 far 0 100 0 - 8.3-11.9 QD2 LEU 123 - HB3 GLN 61 far 0 97 0 - 8.5-11.8 QG1 VAL 118 - HB3 GLN 61 far 0 71 0 - 8.7-10.5 QD2 LEU 69 - HB2 GLN 61 far 0 99 0 - 9.1-12.5 QD1 LEU 22 - HB3 GLN 61 far 0 83 0 - 9.2-39.8 QD2 LEU 123 - HB2 GLN 61 far 0 97 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 9379 from cnoeabs.peaks (0.89, 4.28, 57.87 ppm; 4.53 A): 1 out of 8 assignments used, quality = 0.30: QG2 VAL 63 + HA GLN 61 OK 30 89 35 95 4.9-6.2 6826/6819=49...(9) QD1 LEU 62 - HA GLN 61 far 0 83 0 - 5.9-6.7 QD2 LEU 48 - HA GLN 61 far 0 92 0 - 5.9-7.8 QD1 LEU 49 - HA GLN 61 far 0 85 0 - 6.3-10.0 QD1 LEU 22 - HA GLN 61 far 0 100 0 - 8.2-37.6 QD2 LEU 69 - HA GLN 61 far 0 73 0 - 8.3-11.3 QG1 VAL 118 - HA GLN 61 far 0 99 0 - 9.1-11.0 QD2 LEU 123 - HA GLN 61 far 0 98 0 - 9.7-13.2 Violated in 20 structures by 1.07 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 4.5-5.0 6815/3.6=90...(7) HD22 ASN 116 - HA LEU 62 far 0 68 0 - 9.0-13.0 H VAL 112 - HA LEU 62 far 0 99 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (8.89, 0.68, 23.19 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.72: H GLY 66 + QD2 LEU 100 OK 64 65 100 99 3.0-4.0 9435=56, 6864/9461=46...(18) H GLY 66 + QD2 LEU 62 OK 22 99 25 89 4.1-5.6 6847/1998=40...(11) H ASN 59 - QD2 LEU 62 far 0 100 0 - 6.3-7.2 H ASN 59 - QD2 LEU 100 far 0 66 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 9385 from cnoeabs.peaks (8.91, 0.91, 26.02 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.83: H ASN 59 + QD1 LEU 62 OK 78 78 100 100 4.0-5.8 2.9/9388=94...(28) H GLY 66 + QD1 LEU 62 OK 21 93 25 90 5.8-7.0 6847/1967=60, ~10999=37...(8) 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 1.8-2.8 9397=80, 3.2/10974=46...(28) HB2 HIS 67 - QD2 LEU 100 far 6 41 15 - 3.5-6.7 HA VAL 63 - QD2 LEU 62 far 0 100 0 - 5.5-5.9 HB2 HIS 67 - QD2 LEU 62 far 0 73 0 - 8.3-10.0 HB3 TYR 72 - QD2 LEU 100 far 0 38 0 - 9.0-11.6 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 6 assignments used, quality = 0.92: HA ASN 59 + QD2 LEU 62 OK 92 92 100 100 4.5-5.4 9388/2.1=89, 1880/3.1=78...(20) HA ASN 59 - QD2 LEU 100 far 8 56 15 - 5.3-7.2 HA LEU 69 - QD2 LEU 100 far 0 59 0 - 7.3-9.1 HA ASP 47 - QD2 LEU 62 far 0 73 0 - 7.9-10.1 HA LEU 69 - QD2 LEU 62 far 0 96 0 - 9.6-11.3 HA THR 25 - QD2 LEU 62 far 0 63 0 - 9.9-35.1 Violated in 6 structures by 0.07 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 1.9-3.6 1880/3.2=58, 9387/2.1=52...(19) HA ASP 47 - QD1 LEU 62 far 0 98 0 - 9.9-12.7 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 - 5.3-9.0 QB ALA 108 - QD1 LEU 62 far 0 60 0 - 5.6-10.4 HG LEU 96 - QD1 LEU 62 far 0 90 0 - 9.0-12.3 Violated in 20 structures by 2.03 A. Peak 9395 from cnoeabs.peaks (0.77, 2.06, 42.10 ppm; 4.33 A): 1 out of 7 assignments used, quality = 0.96: QD1 LEU 103 + HB2 LEU 62 OK 96 97 100 100 3.0-4.5 ~11823=62, ~11721=59...(18) QD2 LEU 122 - HB2 LEU 62 poor 16 90 40 43 4.0-7.4 2.1/11951=10...(9) QD1 LEU 53 - HB2 LEU 62 poor 15 76 20 - 4.3-9.6 QD2 LEU 49 - HB2 LEU 62 far 10 68 15 - 4.3-7.4 QG1 VAL 63 - HB2 LEU 62 far 0 96 0 - 5.4-6.0 QD1 LEU 96 - HB2 LEU 62 far 0 100 0 - 7.0-9.1 QD2 LEU 96 - HB2 LEU 62 far 0 78 0 - 9.2-11.2 Violated in 2 structures by 0.01 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 1.8-2.8 9386=100, 10974/3.2=54...(29) QD2 LEU 62 - HA VAL 63 far 0 100 0 - 5.5-5.9 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 3.3-5.4 2.1/9386=100...(22) HB3 LEU 103 + HA VAL 63 OK 74 92 80 100 3.5-7.4 3.1/11832=91...(29) HB3 LEU 122 - HA VAL 63 far 0 90 0 - 6.6-7.8 HB2 LEU 48 - HA VAL 63 far 0 100 0 - 9.4-13.5 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 3.0-4.5 11521/2.1=89...(22) HG2 GLU 102 - QG1 VAL 63 far 0 78 0 - 7.4-10.0 Violated in 1 structures by 0.01 A. Peak 9401 from cnoeabs.peaks (2.46, 0.78, 21.57 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.96: HG3 GLN 104 + QG1 VAL 63 OK 96 96 100 100 2.0-4.1 1.8/9400=95...(20) HG2 MET 11 - QG1 VAL 63 far 5 100 5 - 5.5-39.7 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 1.8-4.1 10078=99, 1.7/10074=91...(19) H LEU 62 - QG1 VAL 63 far 0 97 0 - 5.6-6.0 H GLN 61 - QG1 VAL 63 far 0 100 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 9406 from cnoeabs.peaks (7.14, 0.78, 21.57 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.51: HD2 HIS 67 + QG1 VAL 63 OK 51 98 55 94 2.8-5.5 11485/10974=42...(8) QD TYR 72 - QG1 VAL 63 far 0 100 0 - 9.6-11.0 Violated in 12 structures by 0.74 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 1.8-4.7 10077=100, 10078/2.1=92...(22) H LEU 62 + QG2 VAL 63 OK 98 99 100 99 3.3-4.8 6797/6814=65...(16) H GLN 61 + QG2 VAL 63 OK 95 99 100 96 4.2-5.4 2.8/9379=56...(13) H LEU 62 - QD1 LEU 49 far 3 56 5 - 5.2-8.9 H GLN 61 - QD1 LEU 49 far 0 57 0 - 7.3-11.0 HE22 GLN 104 - QD1 LEU 49 far 0 58 0 - 7.7-14.0 QE PHE 89 - QD1 LEU 49 far 0 33 0 - 7.9-11.1 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 9 assignments used, quality = 1.00: QG1 VAL 63 + HA ASP 64 OK 100 100 100 100 2.9-3.9 10980=100, 6825/2.9=74...(23) QD2 LEU 49 - HA ASP 64 far 0 96 0 - 6.3-7.8 QD1 ILE 32 - HA ASP 64 far 0 99 0 - 6.6-20.3 QD1 LEU 103 - HA ASP 64 far 0 100 0 - 6.8-9.7 QD1 LEU 122 - HA ASP 64 far 0 78 0 - 7.1-9.9 QD2 LEU 122 - HA ASP 64 far 0 100 0 - 7.4-10.0 QD1 LEU 96 - HA ASP 64 far 0 95 0 - 7.6-9.1 QD1 LEU 53 - HA ASP 64 far 0 98 0 - 9.1-13.8 QD2 LEU 119 - HA ASP 64 far 0 90 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 9412 from cnoeabs.peaks (0.89, 4.46, 57.70 ppm; 5.01 A): 1 out of 8 assignments used, quality = 0.83: QG2 VAL 63 + HA ASP 64 OK 83 83 100 100 5.2-5.4 2.1/10980=93...(19) QD2 LEU 69 - HA ASP 64 far 0 81 0 - 6.3-9.3 QD1 LEU 49 - HA ASP 64 far 0 78 0 - 6.9-10.0 QD2 LEU 48 - HA ASP 64 far 0 87 0 - 7.7-9.5 QD1 LEU 62 - HA ASP 64 far 0 76 0 - 8.4-9.0 QG1 VAL 118 - HA ASP 64 far 0 98 0 - 9.2-10.6 QG2 VAL 20 - HA ASP 64 far 0 100 0 - 9.5-28.6 QG2 VAL 57 - HA ASP 64 far 0 63 0 - 9.6-10.6 Violated in 20 structures by 0.32 A. Peak 9413 from cnoeabs.peaks (0.78, 2.75, 39.83 ppm; 5.35 A): 3 out of 14 assignments used, quality = 1.00: QG1 VAL 63 + HB2 ASP 64 OK 100 100 100 100 4.2-5.8 10980/3.0=88...(17) QD1 ILE 32 + HB3 ASP 35 OK 52 65 80 99 3.3-10.0 10846=95, 10807/961=26...(11) QD1 ILE 37 + HB3 ASP 35 OK 33 66 55 91 5.8-6.7 10893/6390=41...(10) QD2 LEU 49 - HB2 ASP 64 far 9 87 10 - 6.0-8.5 QD1 ILE 32 - HB2 ASP 64 far 0 100 0 - 7.1-21.5 QD1 LEU 103 - HB2 ASP 64 far 0 100 0 - 7.7-10.1 QD1 LEU 53 - HB2 ASP 64 far 0 92 0 - 7.8-13.0 QD1 LEU 122 - HB2 ASP 64 far 0 63 0 - 7.9-10.2 QD1 ILE 37 - HB3 ASP 78 far 0 84 0 - 8.2-11.8 QD2 LEU 122 - HB2 ASP 64 far 0 99 0 - 8.5-10.7 QD1 LEU 96 - HB2 ASP 64 far 0 99 0 - 8.8-10.6 QD2 LEU 119 - HB2 ASP 64 far 0 78 0 - 9.1-13.3 QG1 VAL 93 - HB3 ASP 78 far 0 44 0 - 9.2-10.7 QD1 ILE 32 - HB3 ASP 78 far 0 83 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 9414 from cnoeabs.peaks (0.90, 2.75, 39.83 ppm; 6.80 A): 1 out of 14 assignments used, quality = 0.96: QG2 VAL 63 + HB2 ASP 64 OK 96 96 100 100 5.7-6.2 10987/1.8=97...(17) QD1 LEU 49 - HB2 ASP 64 lone 9 93 50 18 6.5-9.8 2.1/9413=10, 9418/9429=7 QD2 LEU 48 - HB2 ASP 64 lone 8 97 90 9 6.0-8.6 9418/9429=6 QD1 LEU 48 - HB2 ASP 64 lone 7 71 100 10 5.0-7.6 9418/9429=7 QD1 LEU 62 - HB2 ASP 64 far 5 92 5 - 7.6-9.4 QD2 LEU 69 - HB2 ASP 64 lone 4 60 50 15 7.1-9.5 11784/4.6=11, 11061/9413=2 QG2 VAL 20 - HB3 ASP 78 far 4 81 5 - 5.1-31.8 QG1 VAL 20 - HB3 ASP 78 far 4 79 5 - 4.7-30.5 QD1 LEU 22 - HB3 ASP 35 far 3 65 5 - 7.5-24.8 QG2 VAL 20 - HB3 ASP 35 far 3 63 5 - 2.4-23.3 QG1 VAL 20 - HB3 ASP 35 far 3 62 5 - 2.4-22.1 QD1 LEU 22 - HB2 ASP 64 far 0 100 0 - 9.7-34.9 QD2 LEU 123 - HB2 ASP 64 far 0 93 0 - 10.0-14.1 QG1 VAL 118 - HB2 ASP 64 far 0 100 0 - 10.0-11.1 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 8 assignments used, quality = 1.00: QD1 LEU 48 + HA THR 65 OK 89 89 100 100 3.8-5.4 ~9441=52, ~9441=51...(27) QD2 LEU 48 + HA THR 65 OK 85 100 85 100 4.1-6.6 10957/2074=57, ~9441=52...(27) QD1 LEU 49 + HA THR 65 OK 75 99 75 100 3.9-7.1 10966/3.2=85, ~9431=57...(26) QG2 VAL 63 - HA THR 65 far 0 100 0 - 7.3-7.6 QD2 LEU 123 - HA THR 65 far 0 78 0 - 8.0-12.1 QD1 LEU 62 - HA THR 65 far 0 99 0 - 8.1-8.7 QG2 ILE 37 - HA THR 65 far 0 60 0 - 9.4-11.0 QG1 VAL 118 - HA THR 65 far 0 99 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 9419 from cnoeabs.peaks (0.80, 3.97, 66.53 ppm; 6.47 A): 3 out of 12 assignments used, quality = 1.00: QD2 LEU 49 + HA THR 65 OK 100 100 100 100 3.6-5.3 9431/2074=89, ~10966=84...(30) QG1 VAL 63 + HA THR 65 OK 93 93 100 100 6.2-7.2 ~9415=83, 10980/4.9=75...(13) QD1 LEU 122 + HA THR 65 OK 58 97 65 92 6.5-9.1 11110/3.2=83...(6) QD1 LEU 96 - HA THR 65 poor 19 71 45 59 6.8-8.1 11808/4.9=23...(7) QD2 LEU 122 - HA THR 65 far 15 97 15 - 6.3-9.3 QD1 ILE 32 - HA THR 65 far 12 83 15 - 6.4-20.2 QD1 LEU 53 - HA THR 65 poor 6 100 25 22 7.0-11.2 6607/11812=12...(3) QD1 LEU 70 - HA THR 65 far 0 78 0 - 7.6-10.3 QD1 LEU 103 - HA THR 65 far 0 92 0 - 8.2-10.6 QD2 LEU 119 - HA THR 65 far 0 100 0 - 9.1-12.7 QD1 ILE 37 - HA THR 65 far 0 87 0 - 9.6-12.1 QG2 ILE 129 - HA THR 65 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9421 from cnoeabs.peaks (0.90, 4.07, 67.84 ppm; 4.28 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 48 + HB THR 65 OK 94 99 95 100 3.6-5.6 10957/2.1=58, ~9441=51...(28) QD1 LEU 49 + HB THR 65 OK 88 97 90 100 2.3-5.7 10966/2.1=84, ~9431=58...(23) QD1 LEU 48 + HB THR 65 OK 60 81 75 100 3.2-5.9 ~9441=51, ~9441=49...(26) QD1 LEU 62 - HB THR 65 far 0 97 0 - 5.6-6.6 QD2 LEU 123 - HB THR 65 far 0 87 0 - 6.0-10.0 QG2 VAL 63 - HB THR 65 far 0 99 0 - 6.1-6.7 QG1 VAL 118 - HB THR 65 far 0 100 0 - 7.6-9.3 QD1 LEU 123 - HB THR 65 far 0 71 0 - 8.2-10.3 Violated in 1 structures by 0.00 A. Peak 9422 from cnoeabs.peaks (0.79, 4.07, 67.84 ppm; 5.55 A): 4 out of 10 assignments used, quality = 1.00: QD2 LEU 49 + HB THR 65 OK 99 99 100 100 1.9-3.9 9431/2.1=98, ~10966=83...(29) QD1 LEU 122 + HB THR 65 OK 57 87 85 77 4.6-7.2 11110/2.1=60...(8) QD2 LEU 122 + HB THR 65 OK 36 100 45 80 5.1-7.8 ~11110=74, 11387/9423=11...(4) QG1 VAL 63 + HB THR 65 OK 32 99 45 72 6.0-6.8 10974/9423=31...(6) QD1 LEU 53 - HB THR 65 poor 16 100 75 22 4.7-9.0 1552/9424=8...(5) QD1 LEU 96 - HB THR 65 poor 12 89 25 54 6.0-7.5 11061/11055=37...(6) QD2 LEU 119 - HB THR 65 far 0 96 0 - 6.7-10.3 QD1 LEU 103 - HB THR 65 far 0 99 0 - 7.0-8.8 QD1 LEU 70 - HB THR 65 far 0 57 0 - 8.1-10.8 QD1 ILE 32 - HB THR 65 far 0 96 0 - 8.9-22.5 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 99 4.8-5.7 6840/2.9=84, ~2052=53...(8) 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 9 assignments used, quality = 0.99: QD2 LEU 48 + QG2 THR 65 OK 90 100 95 95 1.8-4.2 10957=50, 2.1/9441=35...(18) QD1 LEU 48 + QG2 THR 65 OK 80 87 100 92 1.8-3.2 2.1/9441=35...(17) QD1 LEU 49 + QG2 THR 65 OK 72 99 75 96 1.8-4.0 2.1/9431=46, 10966=39...(26) QD2 LEU 123 - QG2 THR 65 far 0 81 0 - 4.6-8.4 QD1 LEU 62 - QG2 THR 65 far 0 99 0 - 5.8-7.0 QD1 LEU 123 - QG2 THR 65 far 0 78 0 - 6.6-8.7 QG2 VAL 63 - QG2 THR 65 far 0 100 0 - 6.8-7.2 QG1 VAL 118 - QG2 THR 65 far 0 99 0 - 7.5-9.1 QD1 LEU 22 - QG2 THR 65 far 0 97 0 - 9.1-27.7 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 11 assignments used, quality = 0.90: QD2 LEU 49 + QG2 THR 65 OK 90 90 100 99 1.9-3.3 2.1/11025=55...(29) QD1 LEU 122 - QG2 THR 65 far 3 68 5 - 4.3-6.9 QD1 LEU 53 - QG2 THR 65 far 0 95 0 - 4.4-7.4 QD2 LEU 122 - QG2 THR 65 far 0 99 0 - 4.9-7.7 QD1 LEU 96 - QG2 THR 65 far 0 98 0 - 4.9-6.6 QG1 VAL 63 - QG2 THR 65 far 0 100 0 - 6.5-7.2 QD1 ILE 32 - QG2 THR 65 far 0 100 0 - 6.7-18.2 QD2 LEU 119 - QG2 THR 65 far 0 83 0 - 6.8-9.4 QD1 LEU 103 - QG2 THR 65 far 0 100 0 - 7.3-8.8 QD2 LEU 43 - QG2 THR 65 far 0 68 0 - 7.9-9.3 QD1 ILE 37 - QG2 THR 65 far 0 100 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 9432 from cnoeabs.peaks (0.67, 1.23, 22.77 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 62 + QG2 THR 65 OK 97 99 100 98 3.7-5.4 1998/10993=65...(15) QD2 LEU 100 + QG2 THR 65 OK 28 98 35 83 5.2-6.6 9384/4.4=39, 9417/4.0=26...(8) QD1 ILE 129 - QG2 THR 65 far 0 60 0 - 7.8-9.7 QD1 LEU 43 - QG2 THR 65 far 0 63 0 - 9.2-10.5 Violated in 3 structures by 0.03 A. Peak 9440 from cnoeabs.peaks (1.48, 1.23, 22.77 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.94: HB2 LEU 49 + QG2 THR 65 OK 77 78 100 99 1.9-4.3 3.2/9431=51...(23) QB ALA 52 + QG2 THR 65 OK 73 100 85 86 3.0-4.6 10996/9432=38...(16) HG LEU 42 - QG2 THR 65 far 0 97 0 - 7.2-9.0 HG3 LYS 36 - QG2 THR 65 far 0 98 0 - 9.4-13.8 Violated in 6 structures by 0.04 A. Peak 9441 from cnoeabs.peaks (1.70, 1.23, 22.77 ppm; 3.95 A): 1 out of 6 assignments used, quality = 0.88: HG LEU 48 + QG2 THR 65 OK 88 89 100 99 3.2-4.8 3.0/10991=57...(15) HB2 LEU 69 - QG2 THR 65 far 6 63 10 - 3.2-6.6 HB3 LEU 70 - QG2 THR 65 far 0 87 0 - 6.7-9.7 HB2 LEU 70 - QG2 THR 65 far 0 92 0 - 7.9-9.9 HD2 LYS 36 - QG2 THR 65 far 0 65 0 - 8.9-13.8 HD3 LYS 36 - QG2 THR 65 far 0 65 0 - 9.9-12.9 Violated in 18 structures by 0.31 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 1.8-4.3 3.2/9431=61...(22) HB3 LEU 48 + QG2 THR 65 OK 72 76 95 100 1.9-4.9 1.8/10991=67...(23) HG LEU 53 - QG2 THR 65 far 0 85 0 - 4.8-9.2 HB3 LEU 123 - QG2 THR 65 far 0 51 0 - 6.4-9.1 Violated in 0 structures by 0.00 A. Peak 9443 from cnoeabs.peaks (2.18, 1.23, 22.77 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.21: HB3 LEU 69 + QG2 THR 65 OK 21 83 30 85 3.5-6.9 3.0/11044=37...(14) HB3 GLN 68 - QG2 THR 65 far 5 99 5 - 4.1-5.9 Violated in 20 structures by 1.87 A. Peak 9445 from cnoeabs.peaks (8.31, 1.23, 22.77 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.99: H LEU 49 + QG2 THR 65 OK 98 98 100 100 2.0-3.5 11703=86, 6598/10991=44...(24) H LEU 69 + QG2 THR 65 OK 70 95 75 99 3.7-5.4 3.7/9443=60...(15) H TYR 72 - QG2 THR 65 far 0 97 0 - 7.4-9.3 H VAL 126 - QG2 THR 65 far 0 81 0 - 7.4-9.1 H GLU 44 - QG2 THR 65 far 0 81 0 - 7.4-8.7 H LEU 43 - QG2 THR 65 far 0 73 0 - 8.5-9.9 H ALA 28 - QG2 THR 65 far 0 92 0 - 9.9-24.4 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 = 0.99: H ALA 52 + QG2 THR 65 OK 93 100 95 97 4.5-5.9 9228/9432=52...(15) H LEU 48 + QG2 THR 65 OK 89 89 100 100 3.9-5.0 9199=71, 3.9/10991=66...(16) H SER 130 - QG2 THR 65 far 0 99 0 - 8.7-10.5 H CYS 125 - QG2 THR 65 far 0 92 0 - 9.0-10.9 H VAL 57 - QG2 THR 65 far 0 78 0 - 9.0-11.0 H ILE 129 - QG2 THR 65 far 0 68 0 - 9.3-11.1 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 20 assignments used, quality = 1.00: QD2 LEU 49 + HA3 GLY 66 OK 99 99 100 99 2.1-4.5 9208=50, 9208/1.8=46...(22) QD2 LEU 49 + HA2 GLY 66 OK 97 98 100 99 1.8-3.5 9208=50, 9208/1.8=46...(25) QG1 VAL 63 + HA3 GLY 66 OK 72 83 90 96 4.1-5.6 9460/3.6=32...(17) QD1 LEU 122 + HA3 GLY 66 OK 47 100 100 48 2.3-5.3 9487/10035=16...(9) QD1 LEU 122 + HA2 GLY 66 OK 35 98 95 38 2.8-5.8 9487/10035=16...(5) QD2 LEU 122 + HA3 GLY 66 OK 31 90 95 37 2.3-5.4 11387/10024=10...(8) QD1 LEU 70 - HA3 GLY 66 poor 20 90 35 62 4.7-7.5 9462/4.9=34...(8) QD1 LEU 70 - HA2 GLY 66 poor 17 87 20 - 5.0-7.5 QD2 LEU 122 - HA2 GLY 66 poor 17 87 80 25 2.7-6.6 ~9434=8, 11492/10035=8...(5) QD1 LEU 53 - HA3 GLY 66 far 10 98 10 - 5.1-10.1 QD1 LEU 103 - HA3 GLY 66 far 8 81 10 - 4.8-7.6 QD1 LEU 53 - HA2 GLY 66 lone 3 96 30 9 4.6-10.0 1585/9210=4...(3) QG1 VAL 63 - HA2 GLY 66 far 0 80 0 - 5.5-6.8 QD1 LEU 103 - HA2 GLY 66 far 0 78 0 - 6.3-8.9 QD2 LEU 119 - HA3 GLY 66 far 0 100 0 - 6.8-9.9 QG2 ILE 129 - HA2 GLY 66 far 0 82 0 - 7.5-8.8 QD2 LEU 119 - HA2 GLY 66 far 0 99 0 - 7.7-10.6 QG2 ILE 129 - HA3 GLY 66 far 0 85 0 - 8.4-10.1 QD1 ILE 32 - HA2 GLY 66 far 0 65 0 - 8.9-20.8 QD1 ILE 32 - HA3 GLY 66 far 0 68 0 - 9.2-21.7 Violated in 0 structures by 0.00 A. Peak 9449 from cnoeabs.peaks (0.67, 3.63, 47.55 ppm; 4.79 A): 3 out of 6 assignments used, quality = 1.00: QD2 LEU 100 + HA3 GLY 66 OK 97 97 100 100 1.9-3.4 10990/3.6=64...(26) QD2 LEU 100 + HA2 GLY 66 OK 94 94 100 100 3.2-4.9 10990/3.6=64...(20) QD2 LEU 62 + HA3 GLY 66 OK 52 99 70 75 4.9-6.3 3.1/10999=44...(8) QD2 LEU 62 - HA2 GLY 66 poor 18 97 25 75 5.1-6.5 ~10999=35, 9435/2.9=27...(10) QD1 ILE 129 - HA2 GLY 66 far 0 63 0 - 6.6-8.7 QD1 ILE 129 - HA3 GLY 66 far 0 65 0 - 7.3-9.4 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 3.6-4.8 6870=100, 2.9/2096=99...(10) Violated in 0 structures by 0.00 A. Peak 9462 from cnoeabs.peaks (0.82, 4.22, 58.98 ppm; 4.11 A): 1 out of 6 assignments used, quality = 0.70: QD1 LEU 70 + HA HIS 67 OK 70 100 70 100 1.9-5.2 2.1/11089=79, 11102=73...(19) QD1 LEU 122 - HA HIS 67 far 5 90 5 - 5.0-8.6 QD2 LEU 49 - HA HIS 67 far 0 68 0 - 5.7-7.4 QD1 LEU 53 - HA HIS 67 far 0 60 0 - 8.6-13.7 QG2 ILE 129 - HA HIS 67 far 0 100 0 - 8.6-10.3 QD2 LEU 119 - HA HIS 67 far 0 78 0 - 9.8-13.0 Violated in 11 structures by 0.46 A. Peak 9463 from cnoeabs.peaks (0.61, 4.22, 58.98 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 100 + HA HIS 67 OK 95 95 100 100 1.9-4.3 10037=91, 11107/11089=78...(18) QD1 ILE 129 - HA HIS 67 far 0 68 0 - 7.7-10.3 QD1 LEU 42 - HA HIS 67 far 0 85 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (0.79, 3.34, 27.78 ppm; 5.52 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 63 + HB2 HIS 67 OK 98 99 100 100 2.6-4.6 9406/4.0=85...(17) QD1 LEU 70 + HB2 HIS 67 OK 28 63 45 100 3.8-7.3 ~11089=68, 9470/4.0=40...(22) QD1 LEU 96 - HB2 HIS 67 poor 17 85 20 - 6.0-7.8 QD2 LEU 49 - HB2 HIS 67 far 10 99 10 - 6.2-8.1 QD1 LEU 103 - HB2 HIS 67 far 5 98 5 - 5.7-10.2 QD1 ILE 32 - HB2 HIS 67 far 5 93 5 - 5.3-19.1 QD2 LEU 122 - HB2 HIS 67 far 0 100 0 - 6.5-9.7 QD1 LEU 122 - HB2 HIS 67 far 0 90 0 - 6.7-9.9 QD1 ILE 37 - HB2 HIS 67 far 0 96 0 - 8.9-12.0 QD1 LEU 53 - HB2 HIS 67 far 0 100 0 - 9.5-14.5 QD2 LEU 119 - HB2 HIS 67 far 0 97 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 9466 from cnoeabs.peaks (0.63, 3.34, 27.78 ppm; 6.80 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 42 - HB2 HIS 67 far 0 100 0 - 9.0-10.7 QD1 ILE 129 - HB2 HIS 67 far 0 99 0 - 9.9-12.2 Violated in 20 structures by 2.40 A. Peak 9468 from cnoeabs.peaks (0.78, 3.41, 27.78 ppm; 6.20 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HB3 HIS 67 OK 100 100 100 100 2.5-4.7 9406/4.0=96...(10) QD2 LEU 49 + HB3 HIS 67 OK 38 93 70 58 6.2-7.9 1579/3.8=36...(4) QD1 LEU 96 - HB3 HIS 67 lone 14 97 90 16 5.8-7.6 9470/4.0=5, 11708/1.8=5...(4) QD1 LEU 103 - HB3 HIS 67 far 10 100 10 - 5.4-10.6 QD1 ILE 32 - HB3 HIS 67 far 5 99 5 - 6.8-19.7 QD2 LEU 122 - HB3 HIS 67 lone 1 100 35 2 5.6-9.4 QD1 LEU 122 - HB3 HIS 67 lone 0 73 30 2 5.4-8.9 QD2 LEU 119 - HB3 HIS 67 far 0 87 0 - 8.9-14.3 QD1 LEU 53 - HB3 HIS 67 far 0 97 0 - 9.0-14.6 QD1 ILE 37 - HB3 HIS 67 far 0 100 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9470 from cnoeabs.peaks (0.80, 7.15, 118.65 ppm; 3.89 A): 2 out of 12 assignments used, quality = 0.83: QD1 LEU 70 + HD2 HIS 67 OK 60 83 75 97 1.9-5.9 11096=64, 2.1/11081=61...(11) QG1 VAL 63 + HD2 HIS 67 OK 58 90 65 99 2.8-5.5 9406=83, 2.1/10982=48...(9) QD1 LEU 96 - HD2 HIS 67 far 3 65 5 - 4.4-7.2 QD2 LEU 122 - HD2 HIS 67 far 0 96 0 - 5.5-8.7 QD1 LEU 103 - HD2 HIS 67 far 0 89 0 - 5.5-9.5 QD1 LEU 122 - HD2 HIS 67 far 0 99 0 - 6.0-9.8 QD2 LEU 49 - HD2 HIS 67 far 0 100 0 - 6.1-9.2 QD1 ILE 32 - HD2 HIS 67 far 0 78 0 - 7.5-21.4 QD1 LEU 53 - HD2 HIS 67 far 0 100 0 - 9.4-14.9 QG2 ILE 129 - HD2 HIS 67 far 0 76 0 - 9.5-11.8 QD1 ILE 37 - HD2 HIS 67 far 0 83 0 - 9.6-13.2 QD2 LEU 119 - HD2 HIS 67 far 0 100 0 - 9.7-13.3 Violated in 8 structures by 0.14 A. Peak 9471 from cnoeabs.peaks (1.72, 7.15, 118.65 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 70 + HD2 HIS 67 OK 99 99 100 100 2.7-7.0 3.2/11080=99...(13) HB2 LEU 70 + HD2 HIS 67 OK 97 97 100 100 2.7-6.6 3.2/11080=99...(11) HG LEU 98 - HD2 HIS 67 far 0 95 0 - 8.2-11.9 HB2 LYS 24 - HD2 HIS 67 far 0 71 0 - 9.3-36.4 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 1.9-4.2 10044=99, 2.1/11485=83...(12) Violated in 0 structures by 0.00 A. Peak 9478 from cnoeabs.peaks (0.80, 2.23, 33.86 ppm; 5.53 A): 1 out of 11 assignments used, quality = 0.88: QD2 LEU 49 + HG2 GLN 68 OK 88 100 95 93 3.4-7.1 9431/9479=60...(10) QG1 VAL 63 - HG2 GLN 68 poor 17 89 30 62 6.0-8.5 9474/2150=21...(9) QD1 LEU 70 - HG2 GLN 68 far 13 85 15 - 6.3-8.5 QD1 ILE 32 - HG2 GLN 68 far 11 76 15 - 5.5-18.4 QD1 LEU 96 - HG2 GLN 68 poor 11 63 45 37 5.3-8.8 11056/2158=26...(5) QD2 LEU 122 - HG2 GLN 68 far 5 95 5 - 5.8-11.6 QD1 LEU 122 - HG2 GLN 68 far 0 99 0 - 6.9-9.4 QG2 ILE 129 - HG2 GLN 68 far 0 78 0 - 7.1-11.2 QD1 LEU 53 - HG2 GLN 68 far 0 99 0 - 7.2-12.3 QD1 ILE 37 - HG2 GLN 68 far 0 81 0 - 7.3-9.8 QD1 LEU 103 - HG2 GLN 68 far 0 87 0 - 9.4-11.9 Violated in 2 structures by 0.08 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 3.0-5.5 11016/1.8=88, 9443=56...(27) Violated in 1 structures by 0.03 A. Peak 9481 from cnoeabs.peaks (7.14, 2.23, 33.86 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.76: QD TYR 72 + HG2 GLN 68 OK 76 96 80 100 4.1-6.2 2.2/11830=91...(21) HD2 HIS 67 - HG2 GLN 68 far 0 90 0 - 6.7-8.7 Violated in 13 structures by 0.39 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 2.7-5.0 9481/1.8=77, ~11830=61...(19) HD2 HIS 67 - HG3 GLN 68 far 0 100 0 - 7.5-10.0 Violated in 3 structures by 0.02 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 2.9-4.5 9485/2269=93...(19) QD1 ILE 80 - HA LEU 70 far 0 76 0 - 8.2-9.6 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 3.7-4.9 2.1/11322=58...(25) QD1 ILE 80 - QD2 LEU 70 far 0 97 0 - 8.6-9.9 Violated in 11 structures by 0.10 A. Peak 9486 from cnoeabs.peaks (2.42, 0.86, 25.01 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.95: HG3 GLU 97 + QD2 LEU 70 OK 95 100 95 100 1.8-4.4 9489/2.1=60...(27) HG2 GLN 101 - QD2 LEU 70 far 0 99 0 - 4.9-7.5 HG3 GLU 128 - QD2 LEU 70 far 0 100 0 - 8.2-11.4 Violated in 9 structures by 0.18 A. Peak 9487 from cnoeabs.peaks (0.61, 0.82, 25.52 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.72: QD1 LEU 100 + QD1 LEU 70 OK 53 99 55 98 1.9-4.7 11107/2.1=56...(27) QD1 LEU 100 + QD1 LEU 122 OK 41 59 75 92 2.4-5.2 11388/2.1=18...(34) QD1 LEU 42 - QD1 LEU 70 far 0 71 0 - 5.4-7.9 QD1 LEU 42 - QD1 LEU 122 far 0 36 0 - 7.8-10.7 Violated in 10 structures by 0.15 A. Peak 9488 from cnoeabs.peaks (1.40, 0.82, 25.52 ppm; 3.43 A): 2 out of 21 assignments used, quality = 0.92: HG LEU 96 + QD1 LEU 70 OK 87 100 90 97 3.5-4.8 11106/2.1=41...(25) HB3 LEU 100 + QD1 LEU 70 OK 35 83 45 93 3.2-5.8 3.2/9487=31...(23) HB3 LEU 100 - QD1 LEU 122 poor 15 44 35 - 3.2-6.5 HB2 LEU 96 - QD1 LEU 122 poor 9 46 20 - 2.8-6.2 HG LEU 96 - QD1 LEU 122 far 6 61 10 - 3.6-6.8 HB2 LEU 96 - QD1 LEU 70 far 0 85 0 - 5.9-7.3 QB ALA 16 - QD1 LEU 70 far 0 100 0 - 6.3-26.5 HG2 LYS 95 - QD1 LEU 70 far 0 96 0 - 7.6-11.0 QB ALA 108 - QD1 LEU 122 far 0 51 0 - 7.7-12.1 QB ALA 109 - QD1 LEU 122 far 0 56 0 - 7.9-11.4 QB ALA 15 - QD1 LEU 70 far 0 89 0 - 8.0-28.5 QB ALA 29 - QD1 LEU 70 far 0 85 0 - 8.3-18.7 HG3 LYS 95 - QD1 LEU 70 far 0 93 0 - 8.3-10.4 QB ALA 110 - QD1 LEU 122 far 0 49 0 - 8.4-14.1 HG3 LYS 95 - QD1 LEU 122 far 0 52 0 - 8.6-10.6 HG2 LYS 95 - QD1 LEU 122 far 0 55 0 - 8.8-11.0 QB ALA 34 - QD1 LEU 70 far 0 85 0 - 8.9-13.2 QB ALA 108 - QD1 LEU 70 far 0 92 0 - 9.5-15.8 HB2 LEU 42 - QD1 LEU 70 far 0 81 0 - 9.6-12.0 HG2 LYS 36 - QD1 LEU 70 far 0 85 0 - 10.0-14.4 QB ALA 29 - QD1 LEU 122 far 0 46 0 - 10.0-21.7 Violated in 17 structures by 0.22 A. Peak 9489 from cnoeabs.peaks (2.42, 0.82, 25.52 ppm; 3.68 A): 1 out of 8 assignments used, quality = 0.95: HG3 GLU 97 + QD1 LEU 70 OK 95 100 95 100 1.9-4.6 9486/2.1=75...(24) HG2 GLN 101 - QD1 LEU 70 far 15 100 15 - 4.3-8.9 HG2 GLN 101 - QD1 LEU 122 far 0 61 0 - 5.7-10.0 HG3 GLU 97 - QD1 LEU 122 far 0 61 0 - 6.8-9.0 HG3 GLN 61 - QD1 LEU 122 far 0 56 0 - 7.1-10.0 HG3 GLU 128 - QD1 LEU 122 far 0 61 0 - 9.1-12.5 HG3 GLU 55 - QD1 LEU 122 far 0 32 0 - 9.1-13.8 HG3 GLU 128 - QD1 LEU 70 far 0 100 0 - 9.2-13.7 Violated in 9 structures by 0.20 A. Peak 9490 from cnoeabs.peaks (2.76, 0.82, 25.52 ppm; 4.47 A): 1 out of 7 assignments used, quality = 0.50: HB2 CYS 73 + QD1 LEU 70 OK 50 93 55 97 4.3-7.8 ~11093=55, 2232/2261=52...(13) HB2 CYS 125 - QD1 LEU 122 poor 9 35 25 - 4.8-6.9 HB2 CYS 125 - QD1 LEU 70 far 0 68 0 - 7.0-8.6 HB2 TYR 76 - QD1 LEU 70 far 0 100 0 - 7.0-10.9 HB2 CYS 73 - QD1 LEU 122 far 0 52 0 - 7.8-12.2 HB2 ASP 64 - QD1 LEU 122 far 0 56 0 - 7.9-10.2 HB2 ASP 64 - QD1 LEU 70 far 0 97 0 - 8.5-12.1 Violated in 17 structures by 1.33 A. Peak 9494 from cnoeabs.peaks (3.33, 2.16, 40.48 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HB3 TYR 72 + HB3 LEU 69 OK 97 97 100 100 4.1-6.0 2178/3.0=95, 9514/3.2=86...(29) HB3 CYS 73 + HB3 LEU 69 OK 96 98 100 98 4.0-7.5 11073/3.2=48, ~11071=34...(18) HB2 HIS 67 + HB3 LEU 69 OK 46 96 50 96 6.5-8.9 9464/1.8=89, 4.4/6888=17...(10) HB3 PHE 89 - HB3 LEU 69 far 0 100 0 - 9.9-13.9 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 = 0.59: HA VAL 93 + QD2 LEU 70 OK 59 63 95 99 3.8-5.2 3.2/9485=65...(21) Violated in 8 structures by 0.13 A. Peak 9496 from cnoeabs.peaks (2.23, 0.86, 25.01 ppm; 3.32 A): 2 out of 10 assignments used, quality = 0.92: HB3 GLU 97 + QD2 LEU 70 OK 87 87 100 100 1.9-4.0 1.8/11109=57...(34) HB3 LEU 96 + QD2 LEU 70 OK 38 100 40 96 4.0-5.1 1.8/11916=42...(21) HB2 GLN 101 - QD2 LEU 70 far 0 63 0 - 4.9-8.4 HG2 GLN 68 - QD2 LEU 70 far 0 100 0 - 5.2-8.4 HB2 GLN 68 - QD2 LEU 70 far 0 92 0 - 6.1-8.0 HB3 GLN 104 - QD2 LEU 70 far 0 96 0 - 7.1-10.3 HB3 GLU 102 - QD2 LEU 70 far 0 100 0 - 8.9-11.0 HB3 GLU 128 - QD2 LEU 70 far 0 98 0 - 9.1-11.7 HG2 GLU 91 - QD2 LEU 70 far 0 99 0 - 9.6-11.0 HB3 GLN 127 - QD2 LEU 70 far 0 99 0 - 9.6-11.4 Violated in 4 structures by 0.04 A. Peak 9497 from cnoeabs.peaks (3.33, 0.82, 25.52 ppm; 5.49 A): 3 out of 8 assignments used, quality = 0.95: HB3 CYS 73 + QD1 LEU 70 OK 90 100 90 100 2.9-7.4 1.8/9490=98...(15) HB2 HIS 67 + QD1 LEU 70 OK 41 90 45 100 3.8-7.3 3.0/9462=91...(22) HB3 TYR 72 + QD1 LEU 70 OK 22 93 25 96 5.9-7.8 3.8/9523=64...(14) HB2 HIS 67 - QD1 LEU 122 far 0 50 0 - 6.7-9.9 HB3 CYS 73 - QD1 LEU 122 far 0 60 0 - 7.1-12.1 HB3 PHE 89 - QD1 LEU 70 far 0 99 0 - 8.1-12.7 HB3 TYR 72 - QD1 LEU 122 far 0 52 0 - 8.3-12.3 HB2 PHE 89 - QD1 LEU 70 far 0 96 0 - 8.7-12.5 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (3.22, 0.82, 25.52 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.43: HB3 CYS 125 + QD1 LEU 122 OK 43 51 85 100 4.0-6.4 11656/3.1=69, ~11828=63...(18) HB3 CYS 125 - QD1 LEU 70 far 0 92 0 - 7.7-9.4 HB3 HIS 8 - QD1 LEU 70 far 0 97 0 - 9.2-44.6 Violated in 10 structures by 0.31 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 99 6.3-7.4 9130/9062=81, ~9142=70...(5) H TYR 72 + QD TYR 72 OK 89 89 100 100 2.6-3.4 4.5=100 H LYS 19 - QD TYR 72 far 0 97 0 - 10.0-26.5 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 5 assignments used, quality = 1.00: HB3 LEU 70 + HA ASP 71 OK 100 100 100 100 5.0-5.6 3.2/11115=95...(23) HB2 LEU 70 + HA ASP 71 OK 99 99 100 100 3.8-4.1 3.2/11115=95...(23) HB2 LYS 24 - HA ASP 71 far 0 63 0 - 8.4-30.8 HG13 ILE 129 - HA ASP 71 far 0 71 0 - 9.5-11.2 HG3 ARG 90 - HA ASP 71 far 0 95 0 - 9.5-14.1 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 6 assignments used, quality = 0.99: QD1 LEU 70 + HB3 ASP 71 OK 99 99 100 100 3.8-6.2 11115/3.0=93...(12) QG1 VAL 63 - HB3 ASP 71 far 0 63 0 - 7.8-10.3 QD2 LEU 49 - HB3 ASP 71 far 0 93 0 - 8.2-10.7 QG2 ILE 129 - HB3 ASP 71 far 0 97 0 - 8.4-10.6 QD2 LEU 122 - HB3 ASP 71 far 0 73 0 - 8.9-12.6 QD1 LEU 122 - HB3 ASP 71 far 0 100 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 9513 from cnoeabs.peaks (1.49, 3.34, 37.59 ppm; 6.55 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 42 + HB3 TYR 72 OK 99 99 100 100 3.0-4.6 2.1/9095=100...(25) HG LEU 69 + HB3 TYR 72 OK 83 83 100 100 3.4-6.7 2.1/9514=96, 3.7/2178=90...(18) HG3 LYS 36 - HB3 TYR 72 far 3 63 5 - 6.6-10.8 HB2 LEU 49 - HB3 TYR 72 far 0 100 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 9514 from cnoeabs.peaks (1.00, 3.34, 37.59 ppm; 6.41 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 69 + HB3 TYR 72 OK 97 97 100 100 2.7-4.9 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 1.8-3.1 2.1/9095=96...(32) QD1 ILE 129 - HB3 TYR 72 far 0 90 0 - 7.2-8.3 QD1 LEU 100 - HB3 TYR 72 far 0 76 0 - 7.6-9.3 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 2 assignments used, quality = 0.93: HG LEU 42 + HB2 TYR 72 OK 90 90 100 100 3.4-4.7 2.1/10874=97...(25) HG LEU 69 + HB2 TYR 72 OK 24 96 25 100 4.8-8.3 ~11064=74, ~11080=74...(22) 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 3 assignments used, quality = 0.85: QG2 ILE 37 + HB2 TYR 72 OK 85 85 100 100 2.0-3.0 10825/1.8=77...(32) QD1 LEU 49 - HB2 TYR 72 far 0 100 0 - 6.8-11.3 QD1 LEU 48 - HB2 TYR 72 far 0 99 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 9518 from cnoeabs.peaks (0.79, 3.02, 37.59 ppm; 6.65 A): 1 out of 6 assignments used, quality = 0.96: QD1 ILE 37 + HB2 TYR 72 OK 96 96 100 100 3.6-5.0 10839/2.7=93...(23) QD1 LEU 70 - HB2 TYR 72 poor 19 63 35 87 7.0-9.0 9523/3.8=62...(7) QD1 ILE 32 - HB2 TYR 72 far 0 93 0 - 7.7-13.8 QD2 LEU 49 - HB2 TYR 72 far 0 99 0 - 8.0-10.4 QD1 LEU 96 - HB2 TYR 72 far 0 85 0 - 8.2-9.5 QD1 LEU 122 - HB2 TYR 72 far 0 90 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 9519 from cnoeabs.peaks (0.63, 3.02, 37.59 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB2 TYR 72 OK 100 100 100 100 1.8-2.7 10874=99, 9091/1.8=98...(26) QD1 ILE 129 - HB2 TYR 72 far 0 99 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 9529 from cnoeabs.peaks (4.37, 3.02, 37.59 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.94: HA CYS 73 + HB2 TYR 72 OK 94 95 100 100 4.1-4.6 9570/10874=85...(8) HA SER 33 - HB2 TYR 72 far 0 71 0 - 9.1-10.8 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 2.1-3.4 6973/3.8=87, 3.9/9514=83...(24) 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 5 assignments used, quality = 1.00: HA LEU 69 + QD TYR 72 OK 99 99 100 100 2.0-3.4 6973/6983=99...(25) HA TYR 76 + QD TYR 72 OK 70 71 100 99 5.8-7.3 10833/9022=85...(8) HA2 GLY 75 + QD TYR 72 OK 54 85 75 85 5.2-8.1 9604/10839=67...(6) HA LYS 24 - QD TYR 72 far 0 100 0 - 9.0-25.4 HA ASP 47 - QD TYR 72 far 0 99 0 - 9.8-10.8 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 4.6-5.8 9142=91, 3.5/9547=82...(18) Violated in 4 structures by 0.03 A. Peak 9533 from cnoeabs.peaks (7.99, 6.81, 118.26 ppm; 6.23 A): 3 out of 4 assignments used, quality = 1.00: H SER 38 + QE TYR 72 OK 94 99 95 100 4.0-7.3 6423/9021=93...(8) H LYS 36 + QE TYR 72 OK 88 99 90 99 5.7-7.4 10891/9021=79...(8) H ILE 37 + QE TYR 72 OK 81 81 100 100 4.2-5.8 2.9/9367=92, 4.0/9021=91...(10) H ASP 64 - QE TYR 72 far 0 60 0 - 9.9-11.6 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 6 assignments used, quality = 1.00: H TYR 72 + QE TYR 72 OK 99 99 100 100 4.3-5.0 6984=99, 6983/2.2=97...(14) H LEU 69 + QE TYR 72 OK 90 90 100 100 4.0-6.1 4.4/9550=69, 2.9/9540=63...(17) H LEU 43 - QE TYR 72 far 0 65 0 - 6.5-8.2 H GLU 44 - QE TYR 72 far 0 87 0 - 6.7-7.9 H LEU 49 - QE TYR 72 far 0 96 0 - 8.2-9.9 H ALA 28 - QE TYR 72 far 0 96 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 9536 from cnoeabs.peaks (8.34, 4.38, 64.37 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.85: H TYR 72 + HA CYS 73 OK 85 87 100 97 5.1-5.3 7005/3.6=46...(10) H GLU 44 - HA CYS 73 far 0 99 0 - 9.5-12.2 Violated in 20 structures by 0.11 A. Peak 9538 from cnoeabs.peaks (7.31, 4.38, 64.37 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 89 + HA CYS 73 OK 99 99 100 99 1.9-3.6 2.2/11145=68...(16) 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 3.8-4.4 3.1/11789=89...(10) H ALA 92 - HA CYS 73 far 0 89 0 - 9.0-9.9 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 5 assignments used, quality = 0.98: HA LEU 69 + QE TYR 72 OK 98 98 100 100 3.1-5.3 11028/2.2=97...(19) HA2 GLY 75 - QE TYR 72 poor 16 78 20 - 6.8-10.2 HA TYR 76 - QE TYR 72 far 3 63 5 - 7.6-9.2 HA LYS 24 - QE TYR 72 far 0 100 0 - 8.8-24.0 HA ASP 47 - QE TYR 72 far 0 100 0 - 9.9-11.5 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 4.2-4.5 5.2=100 HA SER 38 - QE TYR 72 far 0 85 0 - 6.7-8.8 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 2.6-4.5 9146=68, 1.8/9144=64...(15) HB3 TYR 76 - QE TYR 72 far 0 95 0 - 6.9-8.7 Violated in 3 structures by 0.02 A. Peak 9548 from cnoeabs.peaks (2.94, 6.81, 118.26 ppm; 4.58 A): 3 out of 10 assignments used, quality = 1.00: HB2 CYS 45 + QE TYR 72 OK 100 100 100 100 2.5-4.7 1.8/9547=84, 9144=84...(16) HE2 LYS 36 + QE TYR 72 OK 55 89 100 62 1.9-4.2 11127/2.2=17...(7) HE3 LYS 36 + QE TYR 72 OK 47 81 95 62 2.0-5.5 4.0/11126=17...(7) HE3 LYS 26 - QE TYR 72 far 3 65 5 - 4.4-24.9 HE2 LYS 26 - QE TYR 72 far 3 65 5 - 5.1-24.3 HG CYS 73 - QE TYR 72 far 0 100 0 - 6.1-8.7 HE3 LYS 19 - QE TYR 72 far 0 73 0 - 7.2-24.2 HE2 LYS 31 - QE TYR 72 far 0 73 0 - 7.8-14.4 HE2 LYS 19 - QE TYR 72 far 0 87 0 - 8.0-25.0 HE3 LYS 31 - QE TYR 72 far 0 65 0 - 8.6-14.8 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 2.3-4.7 1.8/11830=96...(13) HG2 GLU 40 - QE TYR 72 far 0 95 0 - 6.6-11.5 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 = 0.93: HB3 GLN 68 + QE TYR 72 OK 93 98 95 100 2.3-5.5 3.0/11830=64...(20) HB3 LEU 69 - QE TYR 72 poor 16 78 20 - 4.5-7.6 Violated in 4 structures by 0.12 A. Peak 9551 from cnoeabs.peaks (1.17, 6.81, 118.26 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 41 + QE TYR 72 OK 100 100 100 100 2.3-4.8 9063=100, 9062/2.2=69...(14) HG12 ILE 32 - QE TYR 72 far 0 98 0 - 5.2-12.9 QG2 THR 25 - QE TYR 72 far 0 90 0 - 6.8-20.0 QG2 THR 18 - QE TYR 72 far 0 100 0 - 8.0-22.8 HG3 LYS 39 - QE TYR 72 far 0 92 0 - 9.6-11.6 Violated in 8 structures by 0.09 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 2.6-4.3 9021=85, 9022/2.2=83...(29) QD1 LEU 48 - QE TYR 72 far 0 63 0 - 6.0-7.1 QG1 VAL 126 - QE TYR 72 far 0 100 0 - 6.5-8.7 QG2 VAL 126 - QE TYR 72 far 0 96 0 - 7.1-9.4 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 9 assignments used, quality = 0.90: QD1 ILE 37 + QE TYR 72 OK 90 90 100 100 2.0-3.9 3.0/9021=86, 10840=85...(21) QD1 ILE 32 - QE TYR 72 far 13 87 15 - 3.9-11.1 QD2 LEU 49 - QE TYR 72 far 0 100 0 - 6.1-8.8 QG2 ILE 129 - QE TYR 72 far 0 65 0 - 7.1-8.9 QD1 LEU 70 - QE TYR 72 far 0 73 0 - 7.5-8.7 QD1 LEU 96 - QE TYR 72 far 0 76 0 - 7.7-9.5 QG1 VAL 63 - QE TYR 72 far 0 96 0 - 8.9-10.9 QD1 LEU 122 - QE TYR 72 far 0 96 0 - 9.1-12.0 QD2 LEU 122 - QE TYR 72 far 0 99 0 - 9.4-12.6 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 6 assignments used, quality = 1.00: * HG CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.6-3.4 3.4=100 HB2 CYS 45 - HB2 CYS 73 far 0 99 0 - 8.0-10.7 HE3 LYS 86 - HB2 CYS 73 far 0 71 0 - 8.0-11.3 HE2 LYS 19 - HB2 CYS 73 far 0 73 0 - 8.4-33.2 HE3 LYS 19 - HB2 CYS 73 far 0 57 0 - 9.7-33.9 HE2 LYS 36 - HB2 CYS 73 far 0 76 0 - 9.9-14.5 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 8 assignments used, quality = 1.00: HG CYS 73 + HA CYS 73 OK 100 100 100 100 3.4-4.3 4.6=100 HE2 LYS 19 - HA CYS 73 far 0 85 0 - 7.2-32.1 HB2 CYS 45 - HA CYS 73 far 0 100 0 - 7.4-9.9 HE2 LYS 36 - HA CYS 73 far 0 87 0 - 8.0-12.5 HE3 LYS 86 - HA CYS 73 far 0 83 0 - 8.3-10.6 HE3 LYS 19 - HA CYS 73 far 0 71 0 - 8.3-31.7 HE3 LYS 36 - HA CYS 73 far 0 78 0 - 8.7-13.1 HE2 LYS 39 - HA CYS 73 far 0 99 0 - 9.7-12.6 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 4.4-5.4 9575/3.6=89, ~9959=82...(19) QD2 LEU 96 + HA CYS 73 OK 75 78 100 95 5.4-6.8 11693/4.6=50...(13) QD1 ILE 37 + HA CYS 73 OK 51 99 55 95 6.4-7.9 9610/11789=62...(5) QD2 LEU 43 - HA CYS 73 poor 15 90 50 33 6.4-8.5 11678/11759=13...(4) QD1 LEU 96 - HA CYS 73 far 10 100 10 - 7.0-8.9 HG12 ILE 129 - HA CYS 73 far 8 81 10 - 6.1-9.1 QD2 LEU 49 - HA CYS 73 far 0 68 0 - 8.5-11.2 QD2 LEU 122 - HA CYS 73 far 0 90 0 - 9.3-13.8 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 99 1.9-3.6 9565/2.9=45...(23) QD1 ILE 129 - HA CYS 73 far 0 73 0 - 5.6-6.7 QD1 LEU 100 - HA CYS 73 far 0 92 0 - 8.8-10.7 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 3.6-4.1 9959/3.0=90, 9955=77...(28) QD1 ILE 80 + HA CYS 73 OK 90 92 100 98 4.5-5.4 9748/9538=51...(17) Violated in 0 structures by 0.00 A. Peak 9572 from cnoeabs.peaks (0.77, 2.75, 27.55 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: QG1 VAL 93 + HB2 CYS 73 OK 89 89 100 100 2.3-3.5 2.1/9959=99, ~9581=91...(22) QD1 LEU 96 + HB2 CYS 73 OK 87 100 90 97 5.5-7.9 ~11693=73, 2.1/11803=48...(8) QD2 LEU 96 + HB2 CYS 73 OK 87 87 100 100 3.5-5.6 11693/3.4=75...(11) HG12 ILE 129 + HB2 CYS 73 OK 84 89 95 100 4.4-8.0 11717/9959=74, ~10462=65...(13) QD2 LEU 43 + HB2 CYS 73 OK 34 96 55 64 6.8-9.0 9129/9098=41...(5) QD2 LEU 122 - HB2 CYS 73 far 0 83 0 - 8.0-12.4 QD1 ILE 37 - HB2 CYS 73 far 0 96 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 9573 from cnoeabs.peaks (0.28, 2.75, 27.55 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB2 CYS 73 OK 100 100 100 100 1.8-2.4 9959=99, 2.1/9961=97...(30) QD1 ILE 80 + HB2 CYS 73 OK 74 92 90 89 4.7-6.5 9571/3.0=35...(15) Violated in 0 structures by 0.00 A. Peak 9578 from cnoeabs.peaks (2.92, 3.32, 27.55 ppm; 5.88 A): 1 out of 2 assignments used, quality = 0.83: HG CYS 73 + HB3 CYS 73 OK 83 83 100 100 2.6-3.4 3.4=100 HB2 CYS 45 - HB3 CYS 73 far 3 68 5 - 6.4-9.5 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 9 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 73 OK 97 100 100 97 4.7-7.4 ~11693=71, ~11803=45...(11) QG1 VAL 93 + HB3 CYS 73 OK 81 81 100 100 1.9-4.3 2.1/9581=100, ~9959=99...(24) QD2 LEU 96 + HB3 CYS 73 OK 78 78 100 99 3.2-5.0 11810/2233=63...(15) HG12 ILE 129 + HB3 CYS 73 OK 72 81 90 100 5.0-7.7 ~10462=64, 3.2/11144=56...(14) QD2 LEU 122 - HB3 CYS 73 far 14 90 15 - 7.5-11.5 QD1 ILE 37 - HB3 CYS 73 far 10 99 10 - 7.5-9.1 QD2 LEU 43 - HB3 CYS 73 far 9 90 10 - 6.9-9.5 QD2 LEU 49 - HB3 CYS 73 far 7 68 10 - 7.2-10.1 QD1 LEU 53 - HB3 CYS 73 far 0 76 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 9580 from cnoeabs.peaks (0.63, 3.32, 27.55 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB3 CYS 73 OK 100 100 100 100 2.0-4.2 9570/3.0=100...(23) QD1 ILE 129 + HB3 CYS 73 OK 99 99 100 100 4.3-5.5 9967/9581=96...(20) 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 1.9-3.0 9959/1.8=99, 9955/3.0=89...(33) QD1 ILE 80 + HB3 CYS 73 OK 21 65 40 81 4.9-7.2 9571/3.0=37, 9573/1.8=34...(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 7 assignments used, quality = 0.63: QG1 VAL 93 + HA SER 74 OK 63 65 100 97 2.9-5.7 9575/2.9=71, ~9576=44...(8) QD1 ILE 32 - HA THR 25 poor 10 98 25 41 1.9-12.2 10704/11150=20...(6) QD2 LEU 96 - HA SER 74 far 0 63 0 - 5.8-8.7 QD1 ILE 37 - HA THR 25 far 0 98 0 - 7.2-18.8 QD1 ILE 37 - HA SER 74 far 0 100 0 - 7.4-9.2 QD1 LEU 96 - HA SER 74 far 0 100 0 - 7.4-10.5 HG12 ILE 129 - HA SER 74 far 0 65 0 - 8.5-12.8 Violated in 1 structures by 0.04 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 4.0-6.7 2.1/9590=100...(13) QD1 ILE 80 + HA SER 74 OK 85 90 95 99 6.1-8.3 9648/11188=98...(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 3 assignments used, quality = 0.59: QG1 VAL 77 + HA SER 74 OK 59 60 100 99 2.2-4.3 9593/3.6=66, 11188=46...(17) QD1 LEU 69 - HA SER 74 far 8 76 10 - 6.7-9.1 QG2 VAL 133 - HA SER 74 far 0 98 0 - 8.4-11.3 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 0 assignments used, quality = 0.00: 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 3.0-4.8 9611/3.5=88...(13) QG2 VAL 133 - HA2 GLY 75 far 0 76 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.78, 4.32, 45.60 ppm; 5.01 A): 1 out of 4 assignments used, quality = 0.40: QD1 ILE 37 + HA2 GLY 75 OK 40 100 40 99 3.8-8.1 9608/1.8=86, 9026/2.9=66...(12) QG1 VAL 93 - HA2 GLY 75 far 0 65 0 - 6.6-8.7 QD1 ILE 32 - HA2 GLY 75 far 0 100 0 - 8.6-15.4 QD2 LEU 96 - HA2 GLY 75 far 0 63 0 - 9.2-11.4 Violated in 17 structures by 1.13 A. Peak 9606 from cnoeabs.peaks (1.14, 3.90, 45.60 ppm; 6.58 A): 0 out of 0 assignments used, quality = 0.00: Peak 9608 from cnoeabs.peaks (0.77, 3.90, 45.60 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.67: QD1 ILE 37 + HA3 GLY 75 OK 67 99 70 96 3.5-7.0 9604/1.8=72, 9026/2.9=58...(7) QG1 VAL 93 - HA3 GLY 75 far 0 76 0 - 7.3-9.2 QD1 ILE 32 - HA3 GLY 75 far 0 100 0 - 8.8-14.1 QD2 LEU 96 - HA3 GLY 75 far 0 73 0 - 9.5-11.5 Violated in 15 structures by 0.71 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 4.3-4.9 9092/3.0=86, 10880=83...(19) QD1 ILE 129 - HA TYR 76 far 0 97 0 - 9.1-10.5 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 3 assignments used, quality = 1.00: QG2 VAL 77 + HA TYR 76 OK 100 100 100 100 6.1-6.1 7044/3.6=100...(22) QB ALA 41 + HA TYR 76 OK 62 97 65 99 6.4-8.4 10819/10833=95...(6) HG3 LYS 39 - HA TYR 76 far 0 71 0 - 8.1-10.3 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 2.0-3.1 9092/1.8=97, 9615/3.0=77...(20) QD1 ILE 129 - HB2 ASP 131 far 12 77 15 - 6.1-7.8 QD1 ILE 129 - HB2 TYR 76 far 0 100 0 - 7.0-9.4 QD1 LEU 42 - HB2 ASP 131 far 0 74 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9619 from cnoeabs.peaks (2.31, 2.76, 40.72 ppm; 6.22 A): 2 out of 4 assignments used, quality = 0.84: HB VAL 77 + HB2 TYR 76 OK 73 73 100 100 4.3-6.5 ~11169=79, ~11145=69...(19) HB3 GLN 134 + HB2 ASP 131 OK 41 59 70 100 4.4-8.2 4194/3.0=82, ~4266=70...(10) HG3 GLN 68 - HB2 TYR 76 far 0 95 0 - 8.8-12.1 HG2 GLU 40 - HB2 TYR 76 far 0 100 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 9625 from cnoeabs.peaks (3.40, 6.47, 116.95 ppm; 6.32 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QE TYR 76 OK 100 100 100 100 1.9-3.0 9036=99, 10578/10558=84...(17) Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (2.74, 6.47, 116.95 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: HB2 TYR 76 + QE TYR 76 OK 90 90 100 100 4.4-4.5 4.5=100 HB2 CYS 73 + QE TYR 76 OK 89 100 90 99 6.1-8.2 ~11126=68, ~11146=49...(14) HB3 ASP 78 - QE TYR 76 far 0 100 0 - 8.9-9.5 HB2 ASP 131 - QE TYR 76 far 0 60 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9628 from cnoeabs.peaks (2.08, 6.47, 116.95 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: HB3 LYS 39 + QE TYR 76 OK 100 100 100 100 1.9-4.2 3.0/9036=97, 9037=93...(10) HG3 GLN 134 + QE TYR 76 OK 55 100 55 100 6.9-8.3 10599/10555=84...(9) HG3 PRO 81 + QE TYR 76 OK 44 57 100 76 4.3-7.3 10574/10558=34...(9) HB3 GLN 82 + QE TYR 76 OK 29 97 40 74 7.4-9.1 11263/9739=66...(4) HB3 GLU 44 - QE TYR 76 far 5 100 5 - 7.6-11.4 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 5 assignments used, quality = 1.00: HB2 LYS 39 + QE TYR 76 OK 97 97 100 100 2.2-4.7 11767/10555=88...(12) HB ILE 80 + QE TYR 76 OK 95 95 100 100 4.0-4.7 2.1/9739=100...(23) HB2 LEU 43 - QE TYR 76 poor 18 76 30 81 5.4-8.1 3.2/11031=64...(6) HG13 ILE 129 - QE TYR 76 far 0 99 0 - 7.5-9.6 HG3 ARG 90 - QE TYR 76 far 0 87 0 - 7.8-10.1 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 5.2-6.1 11169/2.2=97...(21) QB ALA 41 + QE TYR 76 OK 92 97 100 95 4.3-6.5 9042/9034=63...(8) HG3 LYS 39 + QE TYR 76 OK 71 71 100 100 3.1-5.1 4.0/9036=72...(17) 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 2.8-3.7 10555=97, 2.1/10558=88...(24) QG1 VAL 77 - QE TYR 76 far 0 89 0 - 6.3-6.6 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 6 assignments used, quality = 1.00: QG1 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-4.3 10558=91, 2.1/10555=80...(27) HG13 ILE 80 + QE TYR 76 OK 95 96 100 100 1.9-4.4 2.1/9746=84, 3.2/9739=60...(21) QG2 ILE 80 + QE TYR 76 OK 74 78 95 100 3.7-5.2 3.1/9746=69, 9739=68...(25) QG2 ILE 129 - QE TYR 76 far 14 93 15 - 4.9-5.8 QD1 LEU 70 - QE TYR 76 far 0 89 0 - 9.4-12.3 QD2 LEU 70 - QE TYR 76 far 0 81 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9633 from cnoeabs.peaks (0.25, 6.47, 116.95 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.92: QD1 ILE 80 + QE TYR 76 OK 92 92 100 100 2.0-2.9 9746=86, 3.1/9739=71...(39) 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 3.1-4.9 9092/4.5=91, 9615/4.7=83...(20) QD1 ILE 129 - QE TYR 76 poor 18 92 20 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 9635 from cnoeabs.peaks (0.64, 3.13, 40.72 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB3 TYR 76 OK 100 100 100 100 2.0-2.9 9092=100, 9617/1.8=81...(21) QD1 ILE 129 - HB3 TYR 76 far 0 99 0 - 6.6-9.3 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 1.7-2.2 9725=98, 9649/2401=65...(37) QG2 VAL 93 - HA VAL 77 far 0 76 0 - 5.5-6.2 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 5 assignments used, quality = 0.99: HG2 LYS 86 + HA VAL 77 OK 99 99 100 100 2.9-3.6 9650/3.2=99...(34) QB ALA 34 - HA VAL 77 far 0 97 0 - 8.2-12.9 QB ALA 92 - HA VAL 77 far 0 100 0 - 8.4-9.2 HG3 LYS 19 - HA VAL 77 far 0 92 0 - 9.6-35.4 QB ALA 16 - HA VAL 77 far 0 73 0 - 10.0-34.2 Violated in 0 structures by 0.00 A. Peak 9645 from cnoeabs.peaks (1.74, 3.45, 65.53 ppm; 5.28 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 80 + HA VAL 77 OK 100 100 100 100 2.6-3.5 3.2/9725=91, 9730=77...(35) HG3 ARG 90 + HA VAL 77 OK 93 97 95 100 4.2-6.6 9651/3.2=90...(32) HG13 ILE 129 - HA VAL 77 far 0 100 0 - 7.0-10.5 HB2 LYS 39 - HA VAL 77 far 0 85 0 - 9.2-11.7 HD3 LYS 39 - HA VAL 77 far 0 60 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 9646 from cnoeabs.peaks (0.80, 2.33, 31.62 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.47: QG2 ILE 129 + HB VAL 77 OK 47 87 65 83 5.3-6.3 10457/9671=60...(7) QG2 ILE 80 - HB VAL 77 poor 19 97 20 - 5.8-6.7 HG13 ILE 80 - HB VAL 77 poor 17 83 20 - 5.1-7.0 QD1 LEU 70 - HB VAL 77 far 0 92 0 - 6.6-10.2 QD1 ILE 37 - HB VAL 77 far 0 71 0 - 8.6-10.6 Violated in 20 structures by 0.71 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 3.2-3.9 9649/2.1=96, 9648/2.1=90...(40) QG2 VAL 93 + HB VAL 77 OK 95 96 100 99 4.1-4.9 9969/2.1=78...(11) 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: QD1 ILE 80 + QG1 VAL 77 OK 96 96 100 100 4.0-4.3 9649/2.1=94, 9725/3.2=82...(58) QG2 VAL 93 + QG1 VAL 77 OK 94 99 95 100 4.2-5.8 9969/2.1=84...(21) Violated in 0 structures by 0.00 A. Peak 9649 from cnoeabs.peaks (0.27, 1.18, 22.07 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + QG2 VAL 77 OK 100 100 100 100 2.0-2.9 9725/2401=55...(52) QG2 VAL 93 - QG2 VAL 77 poor 19 76 25 - 4.2-5.4 Violated in 0 structures by 0.00 A. Peak 9650 from cnoeabs.peaks (1.42, 1.06, 19.25 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: HG2 LYS 86 + QG1 VAL 77 OK 100 100 100 100 3.5-4.6 11742/2.1=80...(33) QB ALA 34 - QG1 VAL 77 far 0 100 0 - 5.7-10.8 HG3 LYS 19 - QG1 VAL 77 far 0 83 0 - 5.8-28.7 QB ALA 16 - QG1 VAL 77 far 0 85 0 - 5.8-28.1 QB ALA 92 - QG1 VAL 77 far 0 99 0 - 7.3-8.8 HG LEU 96 - QG1 VAL 77 far 0 68 0 - 8.9-11.0 Violated in 16 structures by 0.23 A. Peak 9651 from cnoeabs.peaks (1.72, 1.06, 19.25 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.99: HG3 ARG 90 + QG1 VAL 77 OK 98 98 100 100 2.1-4.8 1.8/9652=77, 11932=68...(32) HB ILE 80 + QG1 VAL 77 OK 47 93 50 100 4.6-5.4 3.2/9648=59, 9663/2.1=41...(38) HG13 ILE 129 - QG1 VAL 77 far 0 81 0 - 6.5-10.2 HB3 LEU 70 - QG1 VAL 77 far 0 98 0 - 7.5-10.6 HB2 LEU 70 - QG1 VAL 77 far 0 96 0 - 7.8-10.0 HB2 LYS 19 - QG1 VAL 77 far 0 65 0 - 7.9-27.8 Violated in 1 structures by 0.01 A. Peak 9652 from cnoeabs.peaks (2.01, 1.06, 19.25 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.99: HG2 ARG 90 + QG1 VAL 77 OK 99 99 100 100 2.3-4.3 1.8/9651=89, 9662/2.1=88...(28) HB VAL 20 - QG1 VAL 77 far 0 95 0 - 7.8-31.2 HB2 GLU 91 - QG1 VAL 77 far 0 83 0 - 7.8-9.6 HB3 GLU 91 - QG1 VAL 77 far 0 87 0 - 8.5-10.7 HB ILE 129 - QG1 VAL 77 far 0 96 0 - 8.6-10.4 HG2 PRO 81 - QG1 VAL 77 far 0 90 0 - 9.5-10.6 Violated in 1 structures by 0.00 A. Peak 9653 from cnoeabs.peaks (2.52, 1.06, 19.25 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASP 78 + QG1 VAL 77 OK 99 99 100 100 2.7-3.3 7055/7052=87, 9692=84...(16) Violated in 0 structures by 0.00 A. Peak 9654 from cnoeabs.peaks (2.75, 1.06, 19.25 ppm; 4.49 A): 3 out of 3 assignments used, quality = 0.99: HB3 ASP 78 + QG1 VAL 77 OK 97 97 100 100 3.0-4.0 7056/7052=83...(17) HB2 TYR 76 + QG1 VAL 77 OK 58 97 60 100 4.3-6.1 4.5/7043=61...(22) HB2 CYS 73 + QG1 VAL 77 OK 35 100 40 89 3.8-6.1 9588/11188=35...(13) 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 2 assignments used, quality = 1.00: HD2 ARG 90 + QG1 VAL 77 OK 95 100 95 100 1.9-5.2 3.0/9651=70...(36) HD3 ARG 90 + QG1 VAL 77 OK 95 100 95 100 2.3-5.2 3.0/9651=70...(35) 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 4 assignments used, quality = 1.00: HD2 ARG 90 + QG2 VAL 77 OK 100 100 100 100 1.9-4.2 3.0/9662=63, 2.9/9676=58...(39) HD3 ARG 90 + QG2 VAL 77 OK 100 100 100 100 2.0-3.8 3.0/9662=63, 2.9/9676=58...(38) HD2 ARG 84 - QG2 VAL 77 far 0 73 0 - 8.3-11.5 HD3 ARG 84 - QG2 VAL 77 far 0 73 0 - 8.7-11.2 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 7 assignments used, quality = 0.92: HE3 LYS 86 + QG2 VAL 77 OK 92 92 100 100 1.9-4.4 1.8/11196=97...(23) HG CYS 73 - QG2 VAL 77 far 0 99 0 - 6.4-9.2 HE2 LYS 19 - QG2 VAL 77 far 0 93 0 - 7.7-30.7 HD2 ARG 135 - QG2 VAL 77 far 0 99 0 - 8.6-12.3 HE3 LYS 19 - QG2 VAL 77 far 0 83 0 - 9.1-30.6 HE2 LYS 39 - QG2 VAL 77 far 0 95 0 - 9.4-12.8 HE2 LYS 24 - QG2 VAL 77 far 0 97 0 - 9.4-32.8 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 6 assignments used, quality = 0.96: HG2 ARG 90 + QG2 VAL 77 OK 96 96 100 100 1.8-2.1 9652/2.1=59...(30) HB2 GLU 91 - QG2 VAL 77 far 0 90 0 - 6.0-7.8 HB3 GLU 91 - QG2 VAL 77 far 0 78 0 - 6.6-8.7 HG2 PRO 81 - QG2 VAL 77 far 0 96 0 - 7.7-9.3 HB ILE 129 - QG2 VAL 77 far 0 99 0 - 8.0-9.8 HG3 ARG 135 - QG2 VAL 77 far 0 78 0 - 8.5-11.0 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 6 assignments used, quality = 1.00: HG3 ARG 90 + QG2 VAL 77 OK 100 100 100 100 1.9-3.2 1.8/9662=69, 9651/2.1=55...(32) HB ILE 80 + QG2 VAL 77 OK 99 99 100 100 2.9-3.7 3.2/9649=50...(38) HG13 ILE 129 - QG2 VAL 77 far 0 95 0 - 5.9-9.5 HG2 ARG 135 - QG2 VAL 77 far 0 81 0 - 8.3-11.7 HB3 LEU 70 - QG2 VAL 77 far 0 89 0 - 8.7-11.8 HB2 LEU 70 - QG2 VAL 77 far 0 83 0 - 9.1-11.5 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 3.1-4.3 9671/3.0=80...(26) 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 1 assignment used, quality = 1.00: QD PHE 89 + HA VAL 77 OK 100 100 100 100 2.3-4.0 9677/2401=87...(27) Violated in 0 structures by 0.00 A. Peak 9668 from cnoeabs.peaks (6.96, 3.45, 65.53 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.99: H ILE 80 + HA VAL 77 OK 99 99 100 100 3.1-3.4 9712=82, 7077/9725=77...(16) Violated in 0 structures by 0.00 A. Peak 9669 from cnoeabs.peaks (6.48, 3.45, 65.53 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HA VAL 77 OK 99 99 100 100 4.1-4.8 9746/9725=72, ~11169=51...(22) QD TYR 76 + HA VAL 77 OK 78 78 100 100 2.7-3.1 11169/2401=79...(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 3 assignments used, quality = 1.00: H TYR 76 + HB VAL 77 OK 100 100 100 100 4.4-4.9 3.1/7042=90, 9611/2.1=79...(22) H CYS 79 + HB VAL 77 OK 100 100 100 100 5.2-5.4 9696/2.1=85, 9697/2.1=82...(15) H SER 130 - HB VAL 77 far 0 97 0 - 9.9-11.7 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 2.5-3.7 9676/2.1=76, 2.2/9672=70...(20) 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 1.9-3.5 9677/2.1=87, 2.2/9671=71...(27) 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 3.8-4.6 2.2/9674=79, 9671/2.1=73...(24) Violated in 5 structures by 0.03 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 3.5-4.7 9677/2.1=92, 9672/2.1=77...(29) Violated in 3 structures by 0.03 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 3.3-4.3 3.1/7043=73, 9611=66...(24) H CYS 79 + QG1 VAL 77 OK 99 99 100 100 3.9-4.0 7059/7052=73, 9697=71...(21) H VAL 20 - QG1 VAL 77 far 0 65 0 - 7.9-29.2 H ALA 16 - QG1 VAL 77 far 0 99 0 - 9.2-33.7 Violated in 0 structures by 0.00 A. Peak 9676 from cnoeabs.peaks (7.36, 1.18, 22.07 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.94: HE ARG 90 + QG2 VAL 77 OK 94 99 95 100 2.0-4.7 11841=95, 11842/2.1=63...(18) Violated in 3 structures by 0.05 A. Peak 9677 from cnoeabs.peaks (7.06, 1.18, 22.07 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QG2 VAL 77 OK 100 100 100 100 1.9-3.4 2.2/9676=60, 9672/2.1=52...(29) Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (8.07, 1.18, 22.07 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.73: H CYS 79 + QG2 VAL 77 OK 73 73 100 100 4.4-4.7 4.6/7053=54...(18) H TYR 76 - QG2 VAL 77 far 0 73 0 - 5.6-5.8 HD22 ASN 85 - QG2 VAL 77 far 0 92 0 - 6.9-9.5 Violated in 14 structures by 0.12 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 6.0-7.2 3.1/9667=98, 4.7/9666=83...(23) HA CYS 79 + HA VAL 77 OK 81 81 100 100 6.2-6.4 2.9/9702=96, 3.6/9668=93...(11) HB2 SER 74 - HA VAL 77 far 0 89 0 - 8.0-9.5 HB3 SER 74 - HA VAL 77 far 0 90 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 9692 from cnoeabs.peaks (1.07, 2.51, 39.87 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 77 + HB2 ASP 78 OK 99 99 100 100 2.7-3.3 9653=97, 7052/7055=95...(16) QG2 VAL 133 - HB2 ASP 78 far 0 68 0 - 9.9-11.6 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 1 assignment used, quality = 1.00: QG1 VAL 77 + HB3 ASP 78 OK 100 100 100 100 3.0-4.0 7052/7056=94...(18) Violated in 0 structures by 0.00 A. Peak 9694 from cnoeabs.peaks (1.41, 2.74, 39.87 ppm; 6.80 A): 3 out of 13 assignments used, quality = 0.99: HG2 LYS 86 + HB3 ASP 78 OK 98 99 100 100 5.8-6.9 11742/11206=89...(6) QB ALA 34 + HB3 ASP 35 OK 55 55 100 100 3.8-5.7 10801/3.0=100...(6) HG13 ILE 32 + HB3 ASP 35 OK 23 31 80 91 5.3-11.3 2.1/10846=62...(6) QB ALA 28 - HB2 ASP 64 far 4 44 10 - 6.2-24.6 QB ALA 28 - HB3 ASP 35 far 3 27 10 - 7.2-14.9 QB ALA 16 - HB3 ASP 35 far 3 53 5 - 4.6-26.7 HG2 LYS 26 - HB3 ASP 35 far 2 40 5 - 4.0-18.1 QB ALA 34 - HB3 ASP 78 lone 1 99 30 3 5.6-12.4 QB ALA 16 - HB3 ASP 78 far 0 99 0 - 8.0-33.8 HG2 LYS 26 - HB2 ASP 64 far 0 63 0 - 8.1-35.7 HG3 LYS 31 - HB3 ASP 35 far 0 37 0 - 8.2-13.7 HG2 LYS 31 - HB3 ASP 35 far 0 27 0 - 8.5-12.1 QB ALA 16 - HB2 ASP 64 far 0 80 0 - 9.4-34.7 Violated in 0 structures by 0.00 A. Peak 9695 from cnoeabs.peaks (1.04, 4.38, 55.75 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.89: QG1 VAL 77 + HA ASP 78 OK 89 89 100 100 2.9-3.4 11189=77, 7052/2.9=75...(22) QG2 VAL 133 - HA ASP 78 far 0 100 0 - 9.2-11.4 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 92 93 100 99 4.1-5.2 9706/1.8=69, 9704/4.4=47...(13) QD TYR 76 + HB3 CYS 79 OK 89 90 100 98 3.3-4.2 ~9706=59, 3.1/11911=42...(15) 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 3.8-5.4 9704/4.4=73...(12) QD TYR 76 + HB2 CYS 79 OK 68 68 100 100 3.8-5.1 3.1/11817=64, ~9705=50...(13) Violated in 0 structures by 0.00 A. Peak 9713 from cnoeabs.peaks (1.41, 1.74, 38.49 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.95: HG2 LYS 86 + HB ILE 80 OK 95 95 100 100 1.9-3.0 1.8/11167=74...(37) HB2 LEU 42 - HB ILE 80 far 0 60 0 - 8.9-11.1 QB ALA 92 - HB ILE 80 far 0 78 0 - 9.4-10.8 QB ALA 34 - HB ILE 80 far 0 97 0 - 9.5-13.9 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 = 0.94: HB3 LEU 96 + QG2 ILE 129 OK 82 97 85 100 4.9-6.9 11454/4163=68...(21) HB2 PRO 81 + QG2 ILE 80 OK 65 65 100 100 4.6-5.0 2.3/11280=56, ~11784=55...(31) HB3 GLU 128 - QG2 ILE 129 far 8 81 10 - 4.9-6.8 HG2 GLU 97 - QG2 ILE 129 far 0 71 0 - 6.4-10.3 HG2 GLU 91 - QG2 ILE 129 far 0 85 0 - 6.4-7.3 HG2 GLN 68 - QG2 ILE 129 far 0 92 0 - 7.1-11.2 HB3 GLN 127 - QG2 ILE 129 far 0 83 0 - 7.7-8.0 HB2 GLN 68 - QG2 ILE 129 far 0 65 0 - 8.7-10.7 HG2 GLU 91 - QG2 ILE 80 far 0 52 0 - 8.8-10.0 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 3 assignments used, quality = 0.88: HG3 GLN 82 + QG2 ILE 80 OK 69 69 100 100 2.2-5.5 11262=100, 2.9/11263=78...(12) HG2 GLN 82 + QG2 ILE 80 OK 61 61 100 100 3.5-6.1 1.8/11262=100...(11) HG3 GLN 82 - QG2 ILE 129 far 0 100 0 - 10.0-12.9 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 4.0-4.3 2.1/9649=87, 9648=86...(57) QG2 VAL 133 + QD1 ILE 80 OK 71 95 75 100 3.0-5.6 10588=89, 3.2/9726=60...(33) 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 5 assignments used, quality = 0.99: HG2 LYS 86 + QD1 ILE 80 OK 99 99 100 100 2.0-3.4 1.8/11225=88...(40) QB ALA 92 - QD1 ILE 80 far 0 100 0 - 6.1-7.2 QB ALA 34 - QD1 ILE 80 far 0 97 0 - 8.2-11.6 QB ALA 16 - QD1 ILE 80 far 0 73 0 - 9.9-30.1 HG3 LYS 19 - QD1 ILE 80 far 0 92 0 - 9.9-30.7 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 4.1-5.0 9825=97, 3.0/9727=96...(37) HB3 ARG 90 - QD1 ILE 80 far 14 97 15 - 6.0-7.2 HB3 PRO 81 - QD1 ILE 80 far 0 89 0 - 6.8-7.7 HB ILE 37 - QD1 ILE 80 far 0 99 0 - 7.5-9.1 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 3.2-3.9 2.1/9649=100...(40) HB VAL 132 + QD1 ILE 80 OK 60 60 100 100 3.3-4.5 2.1/11738=100...(20) HB3 GLN 134 - QD1 ILE 80 far 0 83 0 - 7.8-9.3 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 = 0.97: HB2 ASN 85 + QD1 ILE 80 OK 93 93 100 100 3.3-4.4 1.8/11222=100...(21) HB3 ASP 78 + QD1 ILE 80 OK 53 57 95 97 6.6-7.3 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 1.9-3.1 2.7/9747=63, 3.5/9869=38...(29) HB3 PHE 89 + QD1 ILE 80 OK 94 95 100 100 2.2-3.0 2.7/9747=63, 3.5/9869=38...(27) HB3 CYS 73 - QD1 ILE 80 far 0 100 0 - 4.9-7.2 HB3 TYR 72 - QD1 ILE 80 far 0 83 0 - 7.3-8.9 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 1.7-2.2 9643=93, 2401/9649=63...(36) HA ILE 129 - QD1 ILE 80 far 0 78 0 - 5.2-6.6 HA VAL 126 - QD1 ILE 80 far 0 99 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (3.78, 0.27, 13.24 ppm; 4.87 A): 2 out of 5 assignments used, quality = 0.94: HA VAL 133 + QD1 ILE 80 OK 92 92 100 100 3.1-4.3 3.2/10588=80, 10590=78...(22) HA ARG 90 + QD1 ILE 80 OK 29 96 30 100 5.4-6.2 11192/9649=78...(10) HA SER 130 - QD1 ILE 80 far 0 100 0 - 6.0-7.5 HA LEU 43 - QD1 ILE 80 far 0 100 0 - 8.1-9.6 HB3 SER 130 - QD1 ILE 80 far 0 99 0 - 8.3-9.7 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 4 assignments used, quality = 1.00: HA LYS 86 + QD1 ILE 80 OK 100 100 100 100 2.0-2.6 9820=100, 11193/9649=62...(39) HA3 GLY 75 - QD1 ILE 80 far 0 90 0 - 7.2-8.4 HA LEU 70 - QD1 ILE 80 far 0 99 0 - 8.2-9.6 HB2 SER 94 - QD1 ILE 80 far 0 92 0 - 9.1-10.1 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 2.8-4.5 9725/2.1=100...(33) HA ILE 129 - HG12 ILE 80 far 0 76 0 - 7.8-9.6 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 3.0-4.0 9727/3.2=97...(32) HA3 GLY 75 - HB ILE 80 far 0 90 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 9731 from cnoeabs.peaks (3.78, 0.82, 16.92 ppm; 4.07 A): 4 out of 11 assignments used, quality = 1.00: HA SER 130 + QG2 ILE 129 OK 100 100 100 100 3.1-4.1 2.9/4143=67, ~7883=38...(26) HA VAL 133 + QG2 ILE 80 OK 43 58 75 99 3.5-5.4 9726/3.1=62, ~10588=25...(31) HB3 SER 130 + QG2 ILE 129 OK 33 99 35 97 4.4-5.4 3.9/4143=52...(11) HA ARG 90 + QG2 ILE 129 OK 25 96 30 86 4.8-5.7 10467/4163=56...(8) HA LEU 43 - QG2 ILE 129 far 15 100 15 - 4.8-5.9 HA VAL 133 - QG2 ILE 129 far 9 92 10 - 4.6-6.5 HA SER 130 - QG2 ILE 80 far 0 70 0 - 7.7-9.9 HA GLU 97 - QG2 ILE 129 far 0 83 0 - 7.9-9.4 HA ARG 90 - QG2 ILE 80 far 0 62 0 - 8.0-8.9 HB2 SER 99 - QG2 ILE 129 far 0 76 0 - 9.7-11.8 HA LEU 43 - QG2 ILE 80 far 0 69 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9737 from cnoeabs.peaks (6.47, 4.12, 58.67 ppm; 5.52 A): 4 out of 4 assignments used, quality = 1.00: QE TYR 76 + HA ILE 80 OK 100 100 100 100 2.0-4.1 9739/3.2=89...(13) QD TYR 76 + HA ILE 80 OK 60 60 100 100 3.3-5.0 ~9739=62, ~9704=55...(17) QE TYR 76 + HA CYS 79 OK 32 58 55 100 5.8-7.0 9706/3.0=80, 9704/3.6=72...(13) QD TYR 76 + HA CYS 79 OK 28 28 100 100 5.7-6.3 ~9706=57, 9705/3.0=37...(22) 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 3.7-5.2 9746/3.1=91, 9738/2.1=70...(27) QE TYR 76 + QG2 ILE 129 OK 65 69 100 93 4.9-5.8 9634/9083=39...(14) QD TYR 76 + QG2 ILE 80 OK 60 60 100 100 4.6-5.4 ~9746=64, ~9633=54...(34) QD TYR 76 + QG2 ILE 129 OK 29 35 100 83 4.5-5.2 9109/10486=27...(11) 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 4.3-5.4 9747/3.1=92...(29) QD PHE 89 + QG2 ILE 129 OK 62 62 100 100 2.5-3.3 2.2/10457=69...(34) HE ARG 135 - QG2 ILE 80 far 0 100 0 - 7.1-10.2 HE ARG 135 - QG2 ILE 129 far 0 69 0 - 8.5-10.9 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 9 assignments used, quality = 0.93: H ASN 85 + QG2 ILE 80 OK 84 85 100 99 3.3-3.6 3.6/11237=72...(15) HZ PHE 89 + QG2 ILE 129 OK 59 60 100 99 2.4-3.1 2.2/10457=60, ~10456=37...(24) H ARG 135 - QG2 ILE 80 far 0 81 0 - 5.7-7.9 QD PHE 87 - QG2 ILE 80 far 0 68 0 - 5.8-7.9 H ARG 135 - QG2 ILE 129 far 0 49 0 - 6.6-8.2 HZ PHE 89 - QG2 ILE 80 far 0 93 0 - 6.9-7.7 QE PHE 87 - QG2 ILE 80 far 0 89 0 - 7.1-9.6 H ASN 85 - QG2 ILE 129 far 0 52 0 - 9.0-10.0 QD PHE 87 - QG2 ILE 129 far 0 40 0 - 9.3-10.3 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 = 0.98: H GLN 82 + QG2 ILE 80 OK 98 100 100 98 1.8-3.3 11261=48, 4.1/11281=35...(16) H VAL 77 - QG2 ILE 129 far 0 63 0 - 5.4-6.6 H ASP 78 - QG2 ILE 80 far 0 63 0 - 5.8-6.7 H VAL 77 - QG2 ILE 80 far 0 97 0 - 6.3-6.8 H ASP 78 - QG2 ILE 129 far 0 36 0 - 7.8-8.7 H GLN 82 - QG2 ILE 129 far 0 69 0 - 9.2-11.0 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 1.9-2.9 9633/2.1=78, 9739/3.2=72...(14) QD TYR 76 + HG12 ILE 80 OK 81 81 100 100 2.0-4.0 ~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 1.9-4.4 9633/2.1=91, 9739/3.2=85...(24) QD TYR 76 + HG13 ILE 80 OK 71 71 100 100 2.4-5.2 ~9746=79, ~9633=66...(32) 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 2.0-2.9 9739/3.1=44...(35) 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 2.0-2.6 9677/9649=65...(31) HE ARG 135 - QD1 ILE 80 far 0 99 0 - 8.1-9.9 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 3.5-4.2 2.2/9749=91, 3.8/9747=77...(19) H ARG 135 - QD1 ILE 80 far 5 100 5 - 5.9-7.3 QD PHE 87 - QD1 ILE 80 far 0 99 0 - 6.5-7.6 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 2.9-3.4 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 3.6-4.3 3.0/9725=92...(35) H GLN 82 + QD1 ILE 80 OK 83 99 90 92 5.0-5.9 9742/3.1=79...(4) Violated in 0 structures by 0.00 A. Peak 9751 from cnoeabs.peaks (8.05, 0.27, 13.24 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: H CYS 79 + QD1 ILE 80 OK 100 100 100 100 3.8-4.7 9699=85, 7066/7077=83...(27) H TYR 76 + QD1 ILE 80 OK 95 100 95 100 5.2-6.2 3.0/9736=73...(17) H SER 130 - QD1 ILE 80 far 0 97 0 - 7.2-8.5 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 4 assignments used, quality = 0.67: H LYS 86 + QG2 ILE 80 OK 67 67 100 100 2.2-2.9 9813=55, 4.0/9821=42...(30) H TYR 72 - QG2 ILE 129 far 0 97 0 - 6.0-7.5 H GLU 44 - QG2 ILE 129 far 0 100 0 - 7.3-8.4 H LYS 86 - QG2 ILE 129 far 0 99 0 - 8.0-8.9 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 1 assignment used, quality = 0.85: HG3 LYS 86 + HA THR 83 OK 85 85 100 100 2.0-5.1 1.8/11341=98...(21) 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 5 assignments used, quality = 1.00: HD3 LYS 86 + HA THR 83 OK 97 97 100 100 2.5-5.1 3.5/2636=63, 3.5/2624=62...(18) HD2 LYS 86 + HA THR 83 OK 97 97 100 100 3.0-5.2 3.5/2636=63, 3.5/2624=62...(19) HG2 ARG 84 - HA THR 83 poor 19 97 20 - 5.1-7.8 HG3 ARG 84 - HA THR 83 far 0 97 0 - 5.5-7.8 QB ALA 88 - HA THR 83 far 0 95 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 9756 from cnoeabs.peaks (1.65, 4.17, 68.68 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.87: HD3 LYS 86 + HB THR 83 OK 69 99 70 100 4.7-7.5 3.5/11278=65...(17) HG2 ARG 84 + HB THR 83 OK 46 93 50 100 3.3-7.1 3.0/9758=69, 4.6/7088=67...(10) HG3 ARG 84 + HB THR 83 OK 23 93 25 100 3.9-6.9 3.0/9758=69, 4.6/7088=67...(10) HD2 LYS 86 - HB THR 83 poor 20 99 20 - 5.4-7.9 QB ALA 88 - HB THR 83 far 0 97 0 - 8.0-9.2 Violated in 3 structures by 0.02 A. Peak 9757 from cnoeabs.peaks (1.80, 4.17, 68.68 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.96: HB2 ARG 84 + HB THR 83 OK 96 96 100 100 4.6-5.6 1.8/9758=86...(14) HB2 LYS 86 - HB THR 83 far 15 100 15 - 4.7-6.8 Violated in 16 structures by 0.24 A. Peak 9758 from cnoeabs.peaks (1.92, 4.17, 68.68 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.87: HB3 ARG 84 + HB THR 83 OK 87 87 100 100 4.2-5.4 1.8/9757=75, 3.9/7088=73...(13) HB3 PRO 81 - HB THR 83 far 0 76 0 - 8.3-9.2 HB2 ARG 135 - HB THR 83 far 0 83 0 - 9.7-12.3 Violated in 7 structures by 0.10 A. Peak 9759 from cnoeabs.peaks (1.66, 1.24, 22.04 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.99: HD3 LYS 86 + QG2 THR 83 OK 92 100 95 97 2.2-4.6 3.5/11312=44...(18) HD2 LYS 86 + QG2 THR 83 OK 82 100 85 97 2.6-5.0 3.5/11312=44...(19) HG2 ARG 84 - QG2 THR 83 far 8 83 10 - 4.4-7.0 HG3 ARG 84 - QG2 THR 83 far 0 83 0 - 5.2-6.9 QB ALA 88 - QG2 THR 83 far 0 100 0 - 6.5-7.5 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 5 assignments used, quality = 0.76: HB3 LYS 86 + QG2 THR 83 OK 76 76 100 100 2.5-3.2 1.8/11312=79...(18) HB3 ARG 84 - QG2 THR 83 far 6 63 10 - 4.7-5.9 HB2 ARG 90 - QG2 THR 83 far 0 85 0 - 7.2-9.4 HB3 ARG 90 - QG2 THR 83 far 0 85 0 - 7.3-9.5 HB3 PRO 81 - QG2 THR 83 far 0 95 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 9763 from cnoeabs.peaks (3.20, 4.17, 68.68 ppm; 5.94 A): 2 out of 4 assignments used, quality = 0.90: HD3 ARG 84 + HB THR 83 OK 75 100 75 100 5.4-7.6 4.0/9758=78, 4.0/9757=76...(8) HD2 ARG 84 + HB THR 83 OK 60 100 60 100 5.1-7.6 4.0/9758=78, 4.0/9757=76...(8) HD2 ARG 90 - HB THR 83 far 0 63 0 - 9.1-12.4 HD3 ARG 90 - HB THR 83 far 0 57 0 - 9.9-13.3 Violated in 8 structures by 0.03 A. Peak 9765 from cnoeabs.peaks (4.59, 4.17, 68.68 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.97: HA GLN 82 + HB THR 83 OK 97 100 100 97 4.6-5.0 3.6/9772=68, 9769/2.1=64...(5) Violated in 20 structures by 0.27 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): 2 out of 4 assignments used, quality = 0.99: H ASN 85 + HA THR 83 OK 98 99 100 99 3.8-4.2 7132/7129=76...(11) QE PHE 87 + HA THR 83 OK 50 100 50 100 5.0-8.6 ~9776=76, ~9776=75...(9) HD21 ASN 85 - HA THR 83 poor 12 60 20 - 6.2-8.2 HE ARG 84 - HA THR 83 far 4 76 5 - 6.3-9.8 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 2.6-3.0 4.0=87, 9775/2.1=66...(6) Violated in 0 structures by 0.00 A. Peak 9773 from cnoeabs.peaks (8.10, 4.17, 68.68 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.95: H PHE 87 + HB THR 83 OK 95 95 100 100 5.4-6.4 11240/2.1=98...(9) HD22 ASN 85 - HB THR 83 far 4 81 5 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 9774 from cnoeabs.peaks (7.28, 4.17, 68.68 ppm; 5.03 A): 2 out of 4 assignments used, quality = 0.99: H ASN 85 + HB THR 83 OK 99 100 100 100 4.7-5.2 3.7/7088=82...(12) QE PHE 87 + HB THR 83 OK 25 100 25 100 4.1-8.1 ~9776=76, ~9776=76...(9) HE ARG 84 - HB THR 83 poor 16 81 20 - 4.8-8.5 HD21 ASN 85 - HB THR 83 far 0 65 0 - 7.8-9.4 Violated in 1 structures by 0.01 A. Peak 9775 from cnoeabs.peaks (8.87, 1.24, 22.04 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.93: H THR 83 + QG2 THR 83 OK 93 93 100 100 3.7-3.8 3.9=97, 2.8/2517=77...(5) Violated in 0 structures by 0.00 A. Peak 9776 from cnoeabs.peaks (7.31, 1.24, 22.04 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.87: QD PHE 87 + QG2 THR 83 OK 87 99 100 88 2.1-3.8 9837=47, 2.5/9761=44...(12) Violated in 18 structures by 0.29 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 3.6-4.2 2520/2.8=92...(18) HG12 ILE 80 - HA ARG 84 far 0 73 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 9784 from cnoeabs.peaks (0.89, 4.25, 59.13 ppm; 4.25 A): 0 out of 0 assignments used, quality = 0.00: Peak 9788 from cnoeabs.peaks (1.66, 2.69, 37.63 ppm; 5.84 A): 5 out of 7 assignments used, quality = 1.00: QB ALA 88 + HB2 ASN 85 OK 100 100 100 100 4.1-5.7 9853=100, 2750/3.0=99...(11) HG3 ARG 84 + HB2 ASN 85 OK 50 83 65 92 4.4-8.0 ~11320=39, 2595/3.0=20...(19) HD2 LYS 86 + HB2 ASN 85 OK 40 100 50 79 6.3-8.5 11241/11237=48...(6) HG2 ARG 84 + HB2 ASN 85 OK 39 83 50 94 3.9-8.2 ~11320=39, ~11278=20...(22) HD3 LYS 86 + HB2 ASN 85 OK 36 100 50 73 6.4-8.9 11241/11237=48...(6) HG LEU 43 - HB2 ASN 85 far 0 93 0 - 9.5-12.4 HD2 LYS 39 - HB2 ASN 85 far 0 81 0 - 9.9-12.3 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 = 0.94: HB3 GLN 82 + HB2 ASN 85 OK 76 76 100 100 2.6-5.7 1.8/11366=88, ~11464=87...(19) HG3 PRO 81 + HB2 ASN 85 OK 74 89 95 88 3.8-7.3 11282/11237=33...(9) HG3 GLN 134 - HB2 ASN 85 far 5 95 5 - 7.1-11.7 HB3 LYS 39 - HB2 ASN 85 far 0 97 0 - 9.1-11.6 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 1.8-3.9 10535=87, 10545/3.6=73...(24) QG2 VAL 132 + HB2 ASN 85 OK 60 100 60 100 4.2-6.5 2.1/10535=77, ~11746=65...(22) HG2 LYS 39 - HB2 ASN 85 far 0 100 0 - 7.9-10.7 HG3 LYS 39 - HB2 ASN 85 far 0 76 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (0.81, 2.69, 37.63 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HB2 ASN 85 OK 100 100 100 100 1.9-4.2 11237=99, 11236/1.8=96...(24) HG13 ILE 80 + HB2 ASN 85 OK 76 96 80 100 2.3-6.4 3.2/11237=76, ~11222=52...(22) QG1 VAL 133 + HB2 ASN 85 OK 22 71 50 62 4.7-7.8 ~11929=18...(11) QG2 ILE 129 - HB2 ASN 85 far 0 97 0 - 6.2-8.6 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 1.9-3.9 11172=99, 11237/1.8=97...(21) HG13 ILE 80 + HB3 ASN 85 OK 81 90 90 100 2.1-5.6 3.2/11236=76...(19) QG1 VAL 133 - HB3 ASN 85 poor 19 60 55 58 3.8-6.4 10586/11222=19...(9) QG2 ILE 129 - HB3 ASN 85 far 0 93 0 - 6.2-7.9 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 4.4-5.9 ~10535=84, ~10535=77...(23) QG1 VAL 132 + HB3 ASN 85 OK 92 92 100 100 1.8-3.4 10535/1.8=87...(23) HG2 LYS 39 - HB3 ASN 85 far 0 97 0 - 7.5-11.3 HG3 LYS 39 - HB3 ASN 85 far 0 97 0 - 8.2-11.1 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 2.0-3.0 11157=99, 9663/3.0=86...(26) 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 5 assignments used, quality = 1.00: QG2 ILE 80 + HA LYS 86 OK 99 99 100 100 2.3-3.7 3.1/9727=71, 9821/3.0=64...(34) HG13 ILE 80 + HA LYS 86 OK 89 89 100 100 2.4-5.0 2.1/9727=87, 3.0/9729=52...(37) QG1 VAL 133 - HA LYS 86 far 0 57 0 - 5.3-7.5 QG2 ILE 129 - HA LYS 86 far 0 92 0 - 6.3-7.2 QD1 LEU 70 - HA LYS 86 far 0 96 0 - 10.0-13.7 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 2.0-2.6 9727=100, 9649/11193=76...(39) QG2 VAL 93 - HA LYS 86 far 0 83 0 - 6.2-7.1 Violated in 0 structures by 0.00 A. Peak 9821 from cnoeabs.peaks (0.80, 1.79, 32.72 ppm; 4.88 A): 2 out of 11 assignments used, quality = 0.98: QG2 ILE 80 + HB2 LYS 86 OK 97 97 100 100 2.0-5.0 3.1/9822=65...(46) HG13 ILE 80 + HB2 LYS 86 OK 41 83 50 100 3.6-7.2 2.1/9822=77, ~9721=66...(46) QD1 ILE 37 - HB3 LYS 19 far 2 41 5 - 5.5-19.3 QD1 ILE 32 - HB3 LYS 19 far 2 38 5 - 2.7-17.6 QD1 ILE 32 - HB3 LYS 31 far 0 37 0 - 5.8-7.6 QD1 ILE 32 - HB3 LYS 24 far 0 33 0 - 5.9-15.9 QD1 LEU 70 - HB3 LYS 24 far 0 51 0 - 8.2-30.8 QG2 ILE 129 - HB2 LYS 86 far 0 87 0 - 8.2-9.3 QG1 VAL 63 - HB3 LYS 24 far 0 43 0 - 9.1-32.5 QD1 ILE 37 - HB3 LYS 31 far 0 41 0 - 9.3-11.3 QD1 LEU 70 - HB3 LYS 19 far 0 58 0 - 9.9-26.3 Violated in 1 structures by 0.00 A. Peak 9822 from cnoeabs.peaks (0.27, 1.79, 32.72 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB2 LYS 86 OK 100 100 100 100 3.7-4.5 9825/1.8=100...(42) QG2 VAL 93 - HB2 LYS 86 poor 18 90 25 80 7.5-9.3 9969/9824=52...(4) 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 5 assignments used, quality = 0.99: QG2 VAL 77 + HB3 LYS 86 OK 99 99 100 100 3.4-4.3 9663/1.8=98...(32) HG12 ILE 80 - HB3 PRO 81 far 0 60 0 - 5.8-8.1 HG12 ILE 80 - HB3 LYS 86 far 0 76 0 - 5.9-7.3 QG2 VAL 77 - HB3 PRO 81 far 0 85 0 - 9.0-9.7 QG2 VAL 77 - HB2 LYS 95 far 0 33 0 - 9.8-11.3 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 11 assignments used, quality = 0.99: QG2 VAL 77 + HB2 LYS 86 OK 95 95 100 100 2.1-4.0 9823/1.8=77...(32) QG2 THR 18 + HB3 LYS 19 OK 60 68 90 98 4.4-6.9 10696/3.9=69...(17) QG2 THR 25 + HB3 LYS 24 OK 44 46 100 97 3.5-4.8 6242/6233=56, ~10693=43...(19) HG12 ILE 32 - HB3 LYS 31 far 7 66 10 - 5.2-6.7 QG2 THR 18 - HB3 LYS 31 far 3 68 5 - 4.6-18.5 HG12 ILE 32 - HB3 LYS 19 far 3 67 5 - 4.9-18.7 QG2 THR 18 - HB3 LYS 24 far 0 61 0 - 6.2-14.0 QG2 THR 25 - HB3 LYS 31 far 0 51 0 - 6.4-13.7 QG2 THR 25 - HB3 LYS 19 far 0 52 0 - 6.6-13.5 HG12 ILE 32 - HB3 LYS 24 far 0 60 0 - 6.7-19.0 QG2 VAL 77 - HB3 LYS 19 far 0 60 0 - 9.8-28.9 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 4.1-5.0 9822/1.8=100...(37) QD1 ILE 80 + HB3 PRO 81 OK 83 87 95 100 6.8-7.7 11178/3.0=93, ~11281=79...(28) QG2 VAL 93 + HB3 LYS 95 OK 31 33 95 99 7.2-7.7 9981/4.0=80...(8) QG2 VAL 93 + HB2 LYS 95 OK 27 27 100 100 6.0-6.5 9945/9948=94...(11) QG2 VAL 93 - HB3 LYS 86 far 0 90 0 - 8.6-9.4 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 2.0-3.4 9827/1.8=98...(41) QG2 VAL 93 + HG2 LYS 86 OK 73 99 75 98 7.2-8.1 9969/11742=95...(6) 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 far 0 97 0 - 7.7-9.2 Violated in 20 structures by 1.83 A. Peak 9828 from cnoeabs.peaks (0.29, 1.65, 29.32 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.80: QG2 VAL 93 + HD3 LYS 95 OK 57 97 60 98 6.4-8.0 9981/5.5=61...(17) QG2 VAL 93 + HD2 LYS 95 OK 53 99 55 98 6.4-8.2 9981/5.5=61...(17) Violated in 0 structures by 0.00 A. Peak 9833 from cnoeabs.peaks (1.93, 3.23, 38.18 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.83: HB3 LYS 86 + HB2 PHE 87 OK 83 83 100 100 4.0-4.9 1.8/11348=80...(15) HB3 LYS 86 - HB3 PHE 87 far 12 81 15 - 5.4-6.3 HB2 ARG 90 - HB3 PHE 87 far 0 76 0 - 5.8-8.0 HB3 ARG 90 - HB3 PHE 87 far 0 89 0 - 5.8-8.1 HB2 ARG 90 - HB2 PHE 87 far 0 78 0 - 6.1-8.6 HB3 ARG 90 - HB2 PHE 87 far 0 90 0 - 6.1-8.6 Violated in 3 structures by 0.02 A. Peak 9834 from cnoeabs.peaks (1.65, 3.23, 38.18 ppm; 4.19 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 88 + HB2 PHE 87 OK 95 96 100 99 4.0-5.0 7185/4.5=54, 11294=39...(21) QB ALA 88 + HB3 PHE 87 OK 94 94 100 100 3.7-4.2 7185/4.5=54, 11294=39...(22) HG2 ARG 84 - HB2 PHE 87 far 14 96 15 - 4.9-6.8 HG3 ARG 84 - HB2 PHE 87 poor 14 96 30 49 3.8-7.5 3.9/2532=25...(8) HG3 ARG 84 - HB3 PHE 87 far 5 94 5 - 5.1-9.2 HG2 ARG 84 - HB3 PHE 87 far 0 94 0 - 5.9-8.2 HD2 LYS 86 - HB2 PHE 87 far 0 97 0 - 6.4-8.6 HD3 LYS 86 - HB2 PHE 87 far 0 97 0 - 6.5-8.2 HD2 LYS 86 - HB3 PHE 87 far 0 96 0 - 7.8-9.8 HD3 LYS 86 - HB3 PHE 87 far 0 96 0 - 7.9-9.5 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 3 assignments used, quality = 1.00: QG2 THR 83 + HB2 PHE 87 OK 99 99 100 100 3.5-5.4 9776/2.5=99, 9761=84...(11) QG2 THR 83 + HB3 PHE 87 OK 54 98 55 100 4.9-6.7 9761/1.8=99, 9776/2.5=99...(9) HG12 ILE 80 - HB2 PHE 87 far 0 76 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 9836 from cnoeabs.peaks (1.65, 7.32, 131.40 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: HD3 LYS 86 + QD PHE 87 OK 96 97 100 98 5.1-7.6 3.5/9839=69...(6) QB ALA 88 + QD PHE 87 OK 96 96 100 100 4.4-5.4 2.1/9849=98, 3.0/7181=98...(18) HD2 LYS 86 + QD PHE 87 OK 80 97 85 96 5.2-8.6 3.5/9839=69...(5) HG2 ARG 84 + QD PHE 87 OK 69 96 95 76 5.3-7.8 3.9/5522=41...(10) HG3 ARG 84 + QD PHE 87 OK 63 96 90 73 4.9-8.2 3.9/5522=41...(8) HD2 LYS 95 - QD PHE 87 far 0 100 0 - 8.7-11.7 HD3 LYS 95 - QD PHE 87 far 0 97 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 9837 from cnoeabs.peaks (1.23, 7.32, 131.40 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.94: QG2 THR 83 + QD PHE 87 OK 94 95 100 100 2.1-3.8 9776=90, 9761/2.5=86...(15) HG12 ILE 80 - QD PHE 87 far 0 90 0 - 9.1-10.8 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 7 assignments used, quality = 0.98: QB ALA 88 + HA PHE 87 OK 90 90 100 100 5.0-5.0 7185/3.6=90, ~7170=69...(17) HD3 LYS 86 + HA PHE 87 OK 84 93 90 100 6.2-7.8 3.5/2724=68...(14) HD2 LYS 86 - HA PHE 87 poor 19 93 20 - 6.1-7.9 HG3 ARG 84 - HA PHE 87 far 5 99 5 - 6.8-9.9 HG2 ARG 84 - HA PHE 87 far 0 99 0 - 7.8-9.4 HD3 LYS 95 - HA PHE 87 far 0 93 0 - 9.5-11.6 HD2 LYS 95 - HA PHE 87 far 0 98 0 - 9.6-11.9 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 2 assignments used, quality = 1.00: H LYS 86 + HB2 PHE 87 OK 100 100 100 100 4.6-4.9 7154/4.0=82...(13) H LYS 86 + HB3 PHE 87 OK 98 99 100 99 5.4-6.3 7154/4.0=82, 9817/1.8=60...(8) Violated in 0 structures by 0.00 A. Peak 9845 from cnoeabs.peaks (8.12, 7.32, 131.40 ppm; 6.44 A): 2 out of 2 assignments used, quality = 1.00: H PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-4.1 4.2=100 H GLU 91 + QD PHE 87 OK 99 99 100 100 4.1-6.2 11310/2.5=92...(11) Violated in 0 structures by 0.00 A. Peak 9846 from cnoeabs.peaks (8.13, 7.27, 130.01 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.96: H PHE 87 + QE PHE 87 OK 85 85 100 100 4.6-6.1 6.3=100 H GLU 91 + QE PHE 87 OK 76 97 80 97 5.5-7.9 11310/4.4=77...(3) Violated in 0 structures by 0.00 A. Peak 9847 from cnoeabs.peaks (7.29, 1.66, 18.14 ppm; 5.13 A): 2 out of 5 assignments used, quality = 0.95: H ASN 85 + QB ALA 88 OK 85 85 100 100 4.8-5.9 2.9/2750=96, 3.6/9853=73...(14) QD PHE 87 + QB ALA 88 OK 68 68 100 100 4.4-5.4 7181/7185=51...(18) QE PHE 87 - QB ALA 88 far 0 89 0 - 6.1-7.2 H ARG 135 - QB ALA 88 far 0 81 0 - 6.3-7.6 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 3 assignments used, quality = 0.98: QD PHE 87 + HA ALA 88 OK 98 98 100 100 3.5-5.6 7181/2.9=96...(16) HE ARG 90 - HA ALA 88 poor 15 73 20 - 6.3-10.0 H ARG 135 - HA ALA 88 far 0 93 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9850 from cnoeabs.peaks (6.31, 4.20, 54.89 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9851 from cnoeabs.peaks (8.12, 1.66, 18.14 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: H PHE 87 + QB ALA 88 OK 99 100 100 99 4.3-4.6 7170/7185=79, 7161=53...(15) H GLU 91 + QB ALA 88 OK 98 99 100 100 4.5-4.8 7227/2.1=71, 4.0/9865=58...(16) H VAL 133 - QB ALA 88 far 0 63 0 - 5.7-6.8 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 4.2-5.1 4.7=100 HB3 PHE 89 + QB ALA 88 OK 93 93 100 100 4.2-5.2 4.7=100 HB3 CYS 73 - QB ALA 88 far 0 100 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 9853 from cnoeabs.peaks (2.69, 1.66, 18.14 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASN 85 + QB ALA 88 OK 99 99 100 100 4.1-5.7 3.0/2750=99, 9788=78...(11) Violated in 1 structures by 0.01 A. Peak 9854 from cnoeabs.peaks (2.25, 1.66, 18.14 ppm; 4.97 A): 1 out of 4 assignments used, quality = 0.81: HG2 GLU 91 + QB ALA 88 OK 81 81 100 100 3.0-3.7 3.0/9865=85, ~9915=66...(23) HB3 GLU 128 - QB ALA 88 poor 19 76 25 - 5.1-7.3 HB3 LEU 96 - QB ALA 88 far 0 96 0 - 8.5-10.5 HB3 GLN 127 - QB ALA 88 far 0 78 0 - 9.9-11.3 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 6 assignments used, quality = 0.92: HB2 PHE 87 + HA ALA 88 OK 76 76 100 100 4.7-5.5 2.5/9849=78, ~7181=57...(21) HB3 PHE 87 + HA ALA 88 OK 65 65 100 100 3.8-4.0 2.5/9849=78, ~7181=57...(22) HD3 ARG 84 - HA ALA 88 far 15 97 15 - 6.3-11.7 HD2 ARG 84 - HA ALA 88 far 15 97 15 - 6.3-11.5 HD3 ARG 135 - HA ALA 88 far 3 65 5 - 6.4-10.6 HB3 CYS 125 - HA ALA 88 far 0 100 0 - 9.5-13.0 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 3.7-4.6 ~11528=81, ~11661=69...(21) 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 99 100 100 99 1.8-2.3 10533=65, 2.1/11528=30...(28) QG2 VAL 132 + QB ALA 88 OK 97 100 100 98 1.9-2.7 2.1/10533=41, 10533=38...(26) Violated in 0 structures by 0.00 A. Peak 9865 from cnoeabs.peaks (2.00, 1.66, 18.14 ppm; 4.41 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 91 + QB ALA 88 OK 100 100 100 100 3.8-4.7 2860/2.1=79, ~2868=60...(24) HG2 ARG 90 - QB ALA 88 far 0 71 0 - 6.2-7.1 HB ILE 129 - QB ALA 88 far 0 100 0 - 7.3-8.6 HG2 PRO 81 - QB ALA 88 far 0 100 0 - 7.9-11.6 HB2 GLN 134 - QB ALA 88 far 0 76 0 - 8.4-10.5 Violated in 10 structures by 0.05 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 2.1-3.2 9947/2897=58...(35) QG1 VAL 132 + HA PHE 89 OK 97 97 100 100 2.4-3.7 10539=60, 2.1/11377=44...(36) 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 3.9-4.6 9747/3.1=94, 9869/2.9=83...(26) QG2 VAL 93 + HA PHE 89 OK 83 83 100 100 3.4-4.3 9945/2897=80...(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 8 assignments used, quality = 1.00: QG2 VAL 132 + HB2 PHE 89 OK 100 100 100 100 3.5-5.0 2.1/10537=67, ~11650=60...(26) QG1 VAL 132 + HB2 PHE 89 OK 100 100 100 100 1.9-3.8 10537=67, 10546/2.7=64...(30) QG2 VAL 132 + HB3 PHE 89 OK 61 61 100 100 3.3-5.4 ~11650=60, ~11943=60...(26) QG1 VAL 132 + HB3 PHE 89 OK 60 60 100 100 2.0-4.5 10537/1.8=71...(30) HG3 LYS 39 - HB3 PHE 89 far 0 43 0 - 8.9-12.9 HG2 LYS 39 - HB2 PHE 89 far 0 100 0 - 9.2-11.6 HG3 LYS 39 - HB2 PHE 89 far 0 81 0 - 9.3-11.7 HG2 LYS 39 - HB3 PHE 89 far 0 61 0 - 9.5-12.6 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 1.9-3.1 9747/2.7=98, 9749/4.5=84...(30) QG2 VAL 93 + HB2 PHE 89 OK 62 63 100 99 4.4-5.4 9924/2.7=49, 9954/3.0=49...(15) QD1 ILE 80 + HB3 PHE 89 OK 58 58 100 100 2.2-3.0 9747/2.7=98, 9749/4.5=84...(28) QG2 VAL 93 + HB3 PHE 89 OK 31 31 100 98 4.2-5.6 9924/2.7=49, 9954/3.0=49...(13) 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 8 assignments used, quality = 1.00: QG2 VAL 132 + HB3 PHE 89 OK 100 100 100 100 3.3-5.4 ~11650=60, ~11943=60...(27) QG1 VAL 132 + HB3 PHE 89 OK 100 100 100 100 2.0-4.5 10537/1.8=71...(31) QG2 VAL 132 + HB2 PHE 89 OK 61 61 100 100 3.5-5.0 ~11650=60, ~11943=60...(26) QG1 VAL 132 + HB2 PHE 89 OK 60 60 100 100 1.9-3.8 10546/2.7=63...(30) HG3 LYS 39 - HB3 PHE 89 far 0 81 0 - 8.9-12.9 HG2 LYS 39 - HB2 PHE 89 far 0 61 0 - 9.2-11.6 HG3 LYS 39 - HB2 PHE 89 far 0 43 0 - 9.3-11.7 HG2 LYS 39 - HB3 PHE 89 far 0 100 0 - 9.5-12.6 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 2.2-3.0 9747/2.7=99, 9749/4.5=82...(29) QG2 VAL 93 + HB3 PHE 89 OK 73 73 100 99 4.2-5.6 9924/2.7=61, 9954/3.0=60...(13) QD1 ILE 80 + HB2 PHE 89 OK 61 61 100 100 1.9-3.1 9747/2.7=99, 9749/4.5=82...(30) QG2 VAL 93 + HB2 PHE 89 OK 38 38 100 99 4.4-5.4 9924/2.7=61, 9954/3.0=60...(14) 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 5 assignments used, quality = 0.96: QG2 VAL 77 + QD PHE 89 OK 85 85 100 100 1.9-3.4 2.1/9672=93, 2.1/9674=84...(30) QG2 VAL 132 + QD PHE 89 OK 73 73 100 100 3.0-4.2 2.1/11650=88...(38) HG3 LYS 39 - QD PHE 89 far 0 99 0 - 7.1-9.5 HG2 LYS 39 - QD PHE 89 far 0 63 0 - 7.3-9.2 QB ALA 41 - QD PHE 89 far 0 99 0 - 9.3-10.2 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 1.9-5.5 2.1/10557=99...(20) QG1 VAL 77 + QD PHE 89 OK 96 96 100 100 3.5-4.7 2.1/9677=100...(31) Violated in 0 structures by 0.00 A. Peak 9882 from cnoeabs.peaks (0.81, 7.07, 131.30 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 80 + QD PHE 89 OK 100 100 100 100 4.3-5.4 3.1/9747=98, ~9749=84...(28) QG2 ILE 129 + QD PHE 89 OK 97 97 100 100 2.5-3.3 3.2/10459=95...(35) HG13 ILE 80 + QD PHE 89 OK 95 95 100 100 4.0-4.7 2.1/9747=98, ~9749=94...(28) QG1 VAL 133 + QD PHE 89 OK 68 68 100 100 1.9-4.8 2.1/10554=99, ~10552=97...(21) QD1 LEU 70 - QD PHE 89 poor 11 99 55 21 6.6-9.7 9497/5535=12, 11405/9924=7 QD2 LEU 49 - QD PHE 89 far 0 93 0 - 9.4-12.0 QD2 LEU 122 - QD PHE 89 far 0 73 0 - 9.5-12.9 QD1 LEU 122 - QD PHE 89 far 0 100 0 - 9.7-12.7 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 2.4-3.5 9924=100, 11424/2.2=100...(27) QD1 ILE 80 + QD PHE 89 OK 73 73 100 100 2.0-2.6 10588/10554=84...(32) 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 3.9-4.2 7243/3.6=79, 3.0/9897=69...(15) H ALA 88 - HA ARG 90 far 0 71 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 9885 from cnoeabs.peaks (7.35, 3.79, 59.97 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 90 + HA ARG 90 OK 100 100 100 100 2.5-5.6 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 2.8-4.5 7213/2.9=91...(15) Violated in 0 structures by 0.00 A. Peak 9887 from cnoeabs.peaks (7.34, 1.73, 28.15 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.95: HE ARG 90 + HG3 ARG 90 OK 95 95 100 100 2.1-3.6 4.0=100 QD PHE 87 - HG3 ARG 90 far 4 83 5 - 4.7-8.5 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 1.9-4.9 5.0/7220=90...(10) HZ PHE 87 - HG3 ARG 90 far 5 90 5 - 7.5-11.6 Violated in 0 structures by 0.00 A. Peak 9890 from cnoeabs.peaks (7.35, 2.02, 28.15 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.1-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 9891 from cnoeabs.peaks (7.35, 3.17, 43.40 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 9892 from cnoeabs.peaks (6.73, 3.17, 43.40 ppm; 4.08 A): 0 out of 0 assignments used, quality = 0.00: Peak 9897 from cnoeabs.peaks (1.41, 3.79, 59.97 ppm; 5.03 A): 1 out of 6 assignments used, quality = 0.89: QB ALA 92 + HA ARG 90 OK 89 89 100 100 4.8-5.1 3.7/2792=68, 3.0/9884=67...(17) HG2 LYS 95 - HA ARG 90 far 0 71 0 - 6.6-10.0 HG2 LYS 86 - HA ARG 90 far 0 99 0 - 7.1-7.8 HG LEU 96 - HA ARG 90 far 0 92 0 - 7.2-8.5 HG3 LYS 95 - HA ARG 90 far 0 65 0 - 8.0-9.9 QB ALA 16 - HA ARG 90 far 0 99 0 - 9.6-35.2 Violated in 6 structures by 0.01 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 3.3-4.5 2.1/11185=92, 11192=87...(16) 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 - 7.8-8.8 QD2 LEU 122 - HA ARG 90 far 0 99 0 - 9.6-12.7 QD2 LEU 43 - HA ARG 90 far 0 71 0 - 9.7-11.4 Violated in 20 structures by 3.45 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 2.3-3.4 9953=100, 2.1/2793=80...(18) QD1 ILE 80 - HA ARG 90 far 0 90 0 - 5.4-6.2 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 = 1.00: HE3 LYS 95 + HG3 GLU 91 OK 98 100 100 98 3.3-5.8 9908/1.8=90...(9) HE2 LYS 95 + HG3 GLU 91 OK 90 100 95 95 3.2-6.3 ~9908=68, ~9908=36...(9) HB3 ASP 131 - HG3 GLU 91 far 0 98 0 - 8.3-10.3 Violated in 1 structures by 0.02 A. Peak 9908 from cnoeabs.peaks (2.88, 2.23, 35.02 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.76: HE3 LYS 95 + HG2 GLU 91 OK 60 100 65 92 4.9-7.2 9906/1.8=45, ~9906=35...(8) HE2 LYS 95 + HG2 GLU 91 OK 39 100 45 87 4.7-7.8 9906/1.8=46, ~9906=35...(7) HB3 ASP 131 - HG2 GLU 91 far 0 89 0 - 7.8-9.5 Violated in 12 structures by 0.23 A. Peak 9910 from cnoeabs.peaks (1.65, 2.11, 35.02 ppm; 4.35 A): 3 out of 4 assignments used, quality = 0.97: QB ALA 88 + HG3 GLU 91 OK 92 92 100 100 4.2-4.7 2.1/9915=73, 9865/3.0=62...(21) HD2 LYS 95 + HG3 GLU 91 OK 44 99 50 88 4.0-6.9 ~9908=42, 3.0/9906=30...(9) HD3 LYS 95 + HG3 GLU 91 OK 37 95 45 88 3.7-6.7 ~9908=42, 3.0/9906=30...(9) HB2 LEU 98 - HG3 GLU 91 far 0 99 0 - 10.0-13.2 Violated in 2 structures by 0.00 A. Peak 9911 from cnoeabs.peaks (1.40, 2.11, 35.02 ppm; 5.52 A): 2 out of 5 assignments used, quality = 0.86: HG2 LYS 95 + HG3 GLU 91 OK 65 95 80 85 4.5-6.8 3.7/9906=39, 3.7/9906=38...(7) QB ALA 92 + HG3 GLU 91 OK 60 60 100 100 2.9-3.6 9914/1.8=98, 3.0/7255=89...(21) HG3 LYS 95 - HG3 GLU 91 poor 19 92 25 82 4.7-7.2 3.7/9906=39, 3.7/9906=38...(6) HB2 LEU 96 - HG3 GLU 91 far 0 83 0 - 8.0-10.2 HG LEU 96 - HG3 GLU 91 far 0 100 0 - 9.8-10.9 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 3 assignments used, quality = 0.00: QD2 LEU 98 - HG3 GLU 91 far 0 99 0 - 7.5-9.4 QD1 LEU 98 - HG3 GLU 91 far 0 99 0 - 8.5-11.0 QD2 LEU 70 - HG3 GLU 91 far 0 95 0 - 9.7-11.2 Violated in 20 structures by 2.80 A. Peak 9913 from cnoeabs.peaks (0.86, 2.23, 35.02 ppm; 4.30 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 133 - HG2 GLU 91 far 0 65 0 - 8.0-11.1 QD2 LEU 98 - HG2 GLU 91 far 0 95 0 - 8.4-10.2 QD1 LEU 98 - HG2 GLU 91 far 0 100 0 - 9.6-11.8 QD2 LEU 70 - HG2 GLU 91 far 0 99 0 - 9.6-11.0 Violated in 20 structures by 3.37 A. Peak 9914 from cnoeabs.peaks (1.40, 2.23, 35.02 ppm; 5.35 A): 1 out of 6 assignments used, quality = 0.71: QB ALA 92 + HG2 GLU 91 OK 71 71 100 100 2.7-3.2 3.0/7254=87...(24) HG2 LYS 95 - HG2 GLU 91 far 13 89 15 - 5.8-8.3 HG3 LYS 95 - HG2 GLU 91 far 0 85 0 - 6.3-8.7 HB2 LEU 96 - HG2 GLU 91 far 0 73 0 - 7.9-10.7 HG2 LYS 86 - HG2 GLU 91 far 0 90 0 - 9.5-10.7 HG LEU 96 - HG2 GLU 91 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9915 from cnoeabs.peaks (4.22, 2.11, 35.02 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.87: HA ALA 88 + HG3 GLU 91 OK 87 87 100 100 3.4-4.0 9916/1.8=94, 11819=80...(14) HA GLU 128 - HG3 GLU 91 far 0 71 0 - 7.6-9.3 HA SER 94 - HG3 GLU 91 far 0 97 0 - 8.4-8.8 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 1.9-2.9 9915/1.8=72, 2.1/9854=58...(15) HA GLU 128 - HG2 GLU 91 far 0 60 0 - 6.9-9.1 HA SER 94 - HG2 GLU 91 far 0 99 0 - 8.6-9.0 HA ARG 84 - HG2 GLU 91 far 0 78 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 9917 from cnoeabs.peaks (7.32, 2.11, 35.02 ppm; 5.25 A): 0 out of 2 assignments used, quality = 0.00: QD PHE 87 - HG3 GLU 91 far 15 99 15 - 5.7-8.0 HE ARG 90 - HG3 GLU 91 far 0 65 0 - 8.5-10.6 Violated in 20 structures by 1.63 A. Peak 9918 from cnoeabs.peaks (7.32, 2.23, 35.02 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.25: QD PHE 87 + HG2 GLU 91 OK 25 100 25 100 5.2-7.6 11352=91, 2.5/11354=64...(9) HZ PHE 89 - HG2 GLU 91 far 0 93 0 - 9.9-10.7 Violated in 20 structures by 1.57 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 4.2-4.5 9936/2.1=97...(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 3.7-4.6 9936=88, 3.0/9945=83...(20) H GLY 75 - QG2 VAL 93 far 5 92 5 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 9923 from cnoeabs.peaks (7.33, 0.29, 23.10 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.81: HZ PHE 89 + QG2 VAL 93 OK 81 81 100 100 3.2-4.9 2.2/11424=89...(19) HE ARG 90 - QG2 VAL 93 poor 15 73 20 - 2.9-7.3 QD PHE 87 - QG2 VAL 93 far 0 98 0 - 8.4-9.3 H ARG 135 - QG2 VAL 93 far 0 93 0 - 9.3-10.5 Violated in 1 structures by 0.01 A. Peak 9924 from cnoeabs.peaks (7.07, 0.29, 23.10 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QG2 VAL 93 OK 100 100 100 100 2.4-3.5 2.2/11424=93...(26) 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 3.7-7.2 1.8/11395=100, ~11396=92...(16) HB3 PHE 87 - HA ALA 92 far 0 73 0 - 9.1-10.2 HB2 HIS 5 - HA ALA 92 far 0 78 0 - 10.0-70.5 Violated in 3 structures by 0.03 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 2.7-5.8 9950/2.1=82...(21) HE2 LYS 95 + HA ALA 92 OK 94 100 95 99 2.6-6.1 ~9950=64, 3.0/9941=43...(21) HB3 ASP 131 - HA ALA 92 far 0 90 0 - 8.6-10.4 Violated in 1 structures by 0.01 A. Peak 9940 from cnoeabs.peaks (2.23, 4.05, 55.00 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: HG2 GLU 91 + HA ALA 92 OK 100 100 100 100 3.5-4.3 9914/2.1=100...(25) HB3 GLU 128 + HA ALA 92 OK 100 100 100 100 4.3-6.7 ~10444=97, ~10444=95...(17) HB3 LEU 96 + HA ALA 92 OK 99 99 100 100 4.7-5.8 9975/2894=83...(18) HB3 GLU 97 - HA ALA 92 far 0 96 0 - 8.7-10.3 HB3 GLN 127 - HA ALA 92 far 0 100 0 - 9.0-10.6 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 = 0.80: HD2 LYS 95 + HA ALA 92 OK 58 93 65 96 2.1-5.7 ~9950=34, 5.5/2894=31...(23) HD3 LYS 95 + HA ALA 92 OK 53 85 65 96 2.0-5.6 ~9950=34, 5.5/2894=31...(23) QB ALA 88 - HA ALA 92 far 0 81 0 - 5.6-6.7 HB2 LEU 98 - HA ALA 92 far 0 96 0 - 7.7-10.6 HB2 LEU 69 - HA ALA 92 far 0 60 0 - 9.6-13.4 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 3.6-4.0 9944/2.1=100, ~11317=96...(32) QD1 LEU 42 - HA ALA 92 far 0 78 0 - 9.6-10.7 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 1.7-2.0 10491=77, 2.1/11317=74...(31) QD1 LEU 42 - QB ALA 92 far 0 68 0 - 6.8-7.8 QD2 LEU 100 - QB ALA 92 far 0 85 0 - 8.8-10.5 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 3.2-3.7 10487/10491=81...(33) QD1 ILE 80 - QB ALA 92 far 0 90 0 - 6.1-7.2 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 3.5-4.5 4163/10491=85...(31) QG1 VAL 133 - QB ALA 92 far 0 95 0 - 5.7-8.3 QD1 LEU 70 - QB ALA 92 far 0 100 0 - 6.5-8.6 QD1 LEU 122 - QB ALA 92 far 0 89 0 - 6.8-9.1 QD2 LEU 49 - QB ALA 92 far 0 65 0 - 7.1-9.8 QD1 LEU 53 - QB ALA 92 far 0 57 0 - 7.6-10.9 QG2 ILE 80 - QB ALA 92 far 0 97 0 - 8.2-9.2 HG13 ILE 80 - QB ALA 92 far 0 100 0 - 8.4-10.3 Violated in 2 structures by 0.01 A. Peak 9947 from cnoeabs.peaks (1.14, 1.43, 18.02 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + QB ALA 92 OK 100 100 100 100 3.0-3.7 11697/10447=56...(25) QG1 VAL 132 + QB ALA 92 OK 43 99 45 97 4.5-5.3 11658=41, 2.1/11658=41...(19) Violated in 0 structures by 0.00 A. Peak 9948 from cnoeabs.peaks (1.96, 1.43, 18.02 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.89: HB2 LYS 95 + QB ALA 92 OK 72 73 100 98 3.9-4.4 5.3/9950=35, 2896/2.1=29...(27) HB3 LYS 95 + QB ALA 92 OK 59 81 75 98 4.9-5.6 5.3/9950=35, 2896/2.1=29...(23) HB3 ARG 90 - QB ALA 92 far 0 97 0 - 6.3-6.7 HB3 LYS 86 - QB ALA 92 far 0 99 0 - 9.4-10.1 Violated in 0 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 1.9-4.0 1.8/10446=96, 10447=77...(17) HG2 GLU 128 + QB ALA 92 OK 57 57 100 100 1.9-3.2 1.8/10447=96...(15) HG3 GLU 97 - QB ALA 92 far 0 87 0 - 6.8-9.0 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 4 assignments used, quality = 0.96: HA VAL 93 + QB ALA 92 OK 96 96 100 100 3.7-3.9 2.9/7267=92, 3.2/9945=86...(27) HD3 ARG 135 - QB ALA 92 far 0 100 0 - 6.9-10.4 HB3 PHE 87 - QB ALA 92 far 0 100 0 - 7.4-8.3 HB2 PHE 87 - QB ALA 92 far 0 98 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 9952 from cnoeabs.peaks (3.46, 1.43, 18.02 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 129 + QB ALA 92 OK 100 100 100 100 3.1-3.7 10478=92, 3.2/9946=68...(23) HA VAL 126 + QB ALA 92 OK 61 68 95 94 4.4-5.1 10402/10491=36...(15) HA VAL 77 - QB ALA 92 far 0 96 0 - 8.4-9.2 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 5 assignments used, quality = 1.00: HA ARG 90 + QG2 VAL 93 OK 100 100 100 100 2.3-3.4 9900=99, 9962/2.1=85...(18) HA SER 130 - QG2 VAL 93 far 0 89 0 - 6.3-7.0 HB3 SER 130 - QG2 VAL 93 far 0 71 0 - 7.0-8.5 HB2 SER 130 - QG2 VAL 93 far 0 76 0 - 7.1-8.6 HA LEU 43 - QG2 VAL 93 far 0 87 0 - 7.6-8.4 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 4.9-5.5 2.1/9945=97, 3.6/2918=90...(31) HB2 SER 74 + QG2 VAL 93 OK 86 97 90 99 5.0-7.3 3.9/9576=62...(10) HA PHE 89 + QG2 VAL 93 OK 60 60 100 100 3.4-4.3 3.1/9924=83...(17) HB3 SER 74 - QG2 VAL 93 far 14 96 15 - 5.7-7.7 HA LEU 96 - QG2 VAL 93 far 0 92 0 - 6.1-6.7 HA LEU 122 - QG2 VAL 93 far 0 99 0 - 7.4-8.6 HD3 PRO 81 - QG2 VAL 93 far 0 85 0 - 9.2-11.9 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 = 0.87: HA CYS 73 + QG2 VAL 93 OK 65 65 100 100 3.6-4.1 3.0/9959=96...(27) HA LEU 69 + QG2 VAL 93 OK 49 65 75 100 4.7-7.4 3.0/11407=87...(15) HA CYS 125 + QG2 VAL 93 OK 25 100 25 99 6.3-6.9 10376/9945=74...(11) HA ASP 78 - QG2 VAL 93 far 0 68 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 9958 from cnoeabs.peaks (2.93, 0.29, 23.10 ppm; 5.19 A): 1 out of 7 assignments used, quality = 0.99: HG CYS 73 + QG2 VAL 93 OK 99 99 100 100 2.7-4.1 3.4/9959=87, 3.4/9581=68...(19) HE3 LYS 86 - QG2 VAL 93 far 0 60 0 - 7.3-10.2 HB2 CYS 45 - QG2 VAL 93 far 0 96 0 - 7.4-8.8 HE2 LYS 19 - QG2 VAL 93 far 0 63 0 - 8.6-29.2 HD2 ARG 135 - QG2 VAL 93 far 0 99 0 - 8.8-11.6 HE2 LYS 39 - QG2 VAL 93 far 0 100 0 - 9.3-12.4 HE2 LYS 36 - QG2 VAL 93 far 0 65 0 - 9.8-13.8 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 5 assignments used, quality = 1.00: HB2 CYS 73 + QG2 VAL 93 OK 100 100 100 100 1.8-2.4 9961/2.1=77, 3.0/9955=60...(27) HB2 CYS 125 - QG2 VAL 93 far 5 99 5 - 4.8-6.8 HB2 TYR 76 - QG2 VAL 93 far 5 90 5 - 4.8-7.4 HB2 ASP 131 - QG2 VAL 93 far 0 60 0 - 8.3-9.7 HB3 ASP 78 - QG2 VAL 93 far 0 100 0 - 9.1-10.6 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 2.7-5.3 3.4/9961=100...(13) HB2 CYS 45 - QG1 VAL 93 far 0 85 0 - 8.3-10.3 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 4 assignments used, quality = 1.00: HB2 CYS 73 + QG1 VAL 93 OK 100 100 100 100 2.3-3.5 9959/2.1=93...(21) HB2 CYS 125 - QG1 VAL 93 far 0 92 0 - 5.8-7.1 HB2 TYR 76 - QG1 VAL 93 far 0 99 0 - 5.9-8.6 HB3 ASP 78 - QG1 VAL 93 far 0 95 0 - 9.2-10.7 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 5 assignments used, quality = 0.99: HA ARG 90 + QG1 VAL 93 OK 99 99 100 100 3.2-3.6 9953/2.1=96, 2793/2.1=94...(13) HA SER 130 - QG1 VAL 93 far 0 83 0 - 8.7-9.5 HB3 SER 130 - QG1 VAL 93 far 0 63 0 - 9.3-10.7 HB2 SER 130 - QG1 VAL 93 far 0 83 0 - 9.3-10.9 HA LEU 43 - QG1 VAL 93 far 0 81 0 - 9.4-10.6 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 4 assignments used, quality = 0.99: HA SER 94 + QG1 VAL 93 OK 99 99 100 100 2.8-3.2 2.9/7283=89...(23) HA HIS 67 - QG1 VAL 93 far 0 76 0 - 5.8-8.0 HA PHE 87 - QG1 VAL 93 far 0 73 0 - 8.3-9.1 HA SER 99 - QG1 VAL 93 far 0 76 0 - 9.2-10.2 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 1.9-2.4 10461=100, 10487/3.2=88...(38) QD1 LEU 42 - HA VAL 93 far 0 97 0 - 6.7-7.4 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 1.8-2.5 10487=99, 10461/2919=49...(39) QD1 LEU 42 + QG2 VAL 93 OK 83 100 85 97 4.0-4.5 9110/9923=36...(18) 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 5 assignments used, quality = 1.00: QB ALA 92 + QG2 VAL 93 OK 100 100 100 100 3.2-3.7 9945=99, 10491/10487=71...(32) HG LEU 96 + QG2 VAL 93 OK 59 65 90 100 3.7-5.2 9974/2.1=80, 2.1/2922=43...(35) HG2 LYS 86 - QG2 VAL 93 far 0 100 0 - 7.2-8.1 QB ALA 16 - QG2 VAL 93 far 0 83 0 - 8.5-28.3 QB ALA 34 - QG2 VAL 93 far 0 99 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 9971 from cnoeabs.peaks (2.24, 0.29, 23.10 ppm; 6.21 A): 4 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + QG2 VAL 93 OK 99 99 100 100 3.7-5.3 3.8/11425=88...(40) HG2 GLU 91 + QG2 VAL 93 OK 86 90 100 95 5.4-6.3 7254/9936=78...(6) HG2 GLU 97 + QG2 VAL 93 OK 63 63 100 100 4.1-6.9 ~9972=91, ~9972=86...(21) HB3 GLU 97 + QG2 VAL 93 OK 49 65 75 100 5.9-7.5 ~9972=78, ~9972=73...(21) HB3 GLU 128 - QG2 VAL 93 far 13 87 15 - 5.3-8.0 HG2 GLN 68 - QG2 VAL 93 far 0 96 0 - 7.3-10.9 HB3 GLN 127 - QG2 VAL 93 far 0 89 0 - 8.7-9.5 HB2 GLN 68 - QG2 VAL 93 far 0 73 0 - 9.0-10.8 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 2.0-4.4 9486/11322=52...(19) HG3 GLU 128 - QG1 VAL 93 far 0 100 0 - 7.2-9.9 HG2 GLN 101 - QG1 VAL 93 far 0 100 0 - 7.6-10.2 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 = 0.99: HB3 LEU 96 + QG1 VAL 93 OK 90 100 90 100 3.7-5.2 3.0/9974=71...(31) HB3 GLU 97 + QG1 VAL 93 OK 86 87 100 99 4.0-5.2 2.9/9972=64...(17) HG2 GLU 91 - QG1 VAL 93 far 0 99 0 - 7.1-7.4 HB3 GLU 128 - QG1 VAL 93 far 0 98 0 - 7.5-10.0 HG2 GLN 68 - QG1 VAL 93 far 0 100 0 - 7.7-11.2 HB2 GLN 101 - QG1 VAL 93 far 0 63 0 - 8.3-10.5 HB2 GLN 68 - QG1 VAL 93 far 0 92 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 9974 from cnoeabs.peaks (1.42, 0.75, 21.32 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.98: QB ALA 92 + QG1 VAL 93 OK 93 98 95 100 5.0-5.1 9945/2.1=77, 7267/3.9=55...(22) HG LEU 96 + QG1 VAL 93 OK 76 76 100 100 2.8-3.9 5.0/11432=35, ~11806=34...(36) QB ALA 16 - QG1 VAL 93 far 0 90 0 - 7.0-28.0 HG2 LYS 86 - QG1 VAL 93 far 0 100 0 - 8.3-9.3 HG3 LYS 19 - QG1 VAL 93 far 0 76 0 - 9.5-29.3 QB ALA 34 - QG1 VAL 93 far 0 100 0 - 9.5-12.9 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 3.3-4.3 1.8/9987=88, 10382=68...(26) HB2 CYS 73 - QD1 LEU 96 far 0 100 0 - 5.5-7.9 HB2 ASP 64 - QD1 LEU 103 far 0 68 0 - 7.7-10.1 HB2 CYS 125 - QD1 LEU 103 far 0 64 0 - 8.7-11.1 HB2 ASP 64 - QD1 LEU 96 far 0 100 0 - 8.8-10.6 HB2 TYR 76 - QD1 LEU 96 far 0 95 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 9987 from cnoeabs.peaks (3.21, 0.77, 23.84 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: HB3 CYS 125 + QD1 LEU 96 OK 100 100 100 100 3.3-4.1 1.8/9986=91, 9989/2.1=73...(25) HB3 CYS 125 - QD1 LEU 103 far 0 68 0 - 8.1-11.7 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 5 assignments used, quality = 0.99: QD1 LEU 70 + HA GLU 97 OK 97 97 100 100 2.6-4.1 11101=81, 2.1/11090=70...(26) QD2 LEU 70 + HA GLU 97 OK 65 65 100 100 1.8-2.5 2.1/11101=58, 11090=52...(26) QD1 LEU 122 - HA GLU 97 far 8 76 10 - 4.2-6.9 QG2 ILE 129 - HA GLU 97 far 0 99 0 - 7.9-9.4 QD2 LEU 119 - HA GLU 97 far 0 60 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 10001 from cnoeabs.peaks (0.61, 3.76, 59.92 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 100 + HA GLU 97 OK 100 100 100 100 2.0-4.0 10036=99, 11115/11090=64...(32) QD1 LEU 42 - HA GLU 97 far 0 65 0 - 9.2-10.4 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...(27) QD1 LEU 70 + HB2 GLU 97 OK 83 83 100 100 1.9-4.3 11111=74, 2.1/11109=72...(27) QD1 LEU 98 - HB2 GLU 97 poor 20 73 55 49 3.3-7.3 4.8/7358=35...(5) QG2 ILE 129 - HB2 GLU 97 far 0 89 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 10003 from cnoeabs.peaks (0.83, 2.21, 28.66 ppm; 4.11 A): 4 out of 16 assignments used, quality = 0.99: QD1 LEU 70 + HB3 GLU 97 OK 89 89 100 100 1.9-4.2 11111/1.8=69...(32) QD2 LEU 70 + HB3 GLU 97 OK 81 81 100 100 1.9-4.0 11109/1.8=60, ~11111=54...(35) QG2 ILE 80 + HB2 GLN 82 OK 51 53 100 95 3.4-4.9 11263/1.8=52...(11) QD1 LEU 98 + HB3 GLU 97 OK 24 65 55 65 2.7-6.9 4.8/7359=41, 4.0/3156=19...(9) QD1 LEU 98 - HB3 GLU 102 far 7 46 15 - 4.6-9.0 QG2 ILE 129 - HB3 GLU 128 far 3 65 5 - 4.9-6.8 HG13 ILE 80 - HB2 GLN 82 far 0 70 0 - 5.7-8.8 QD1 LEU 122 - HB3 GLU 102 far 0 42 0 - 5.9-10.0 QD1 LEU 122 - HB3 GLU 97 far 0 60 0 - 6.3-8.9 QG1 VAL 133 - HB2 GLN 82 far 0 77 0 - 6.7-10.5 QG2 ILE 129 - HB3 GLU 97 far 0 93 0 - 7.4-9.9 QG1 VAL 133 - HB3 GLU 128 far 0 75 0 - 7.5-10.4 QD1 LEU 122 - HB3 GLU 128 far 0 38 0 - 8.9-12.1 QD2 LEU 70 - HB3 GLU 102 far 0 59 0 - 8.9-11.0 QD2 LEU 70 - HB3 GLU 128 far 0 53 0 - 9.1-11.7 QD1 LEU 70 - HB3 GLU 102 far 0 66 0 - 9.2-12.5 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 = 0.96: QD2 LEU 70 + HG2 GLU 97 OK 80 81 100 100 1.9-4.3 9486/1.8=51, ~9489=38...(32) QD1 LEU 70 + HG2 GLU 97 OK 80 89 90 100 2.4-4.4 9489/1.8=53, ~9486=41...(29) QD1 LEU 98 - HG2 GLU 97 poor 20 65 30 - 2.0-7.7 QD2 LEU 22 - HG2 GLU 30 far 3 69 5 - 3.5-19.6 QD1 LEU 122 - HG2 GLU 97 far 0 60 0 - 5.6-8.8 QG2 ILE 129 - HG2 GLU 97 far 0 93 0 - 6.4-10.3 QG2 ILE 32 - HG2 GLU 30 far 0 53 0 - 6.9-8.8 Violated in 6 structures by 0.09 A. Peak 10005 from cnoeabs.peaks (0.83, 2.42, 35.12 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.93: QD1 LEU 70 + HG3 GLU 97 OK 80 95 85 100 1.9-4.6 9489=73, 2.1/9486=66...(24) QD2 LEU 70 + HG3 GLU 97 OK 67 71 95 100 1.8-4.4 2.1/9489=60, 9486=58...(25) QG2 ILE 129 - HG3 GLU 97 far 0 97 0 - 6.6-10.2 QD1 LEU 122 - HG3 GLU 97 far 0 71 0 - 6.8-9.0 Violated in 5 structures by 0.06 A. Peak 10010 from cnoeabs.peaks (1.40, 2.42, 35.12 ppm; 5.08 A): 3 out of 7 assignments used, quality = 1.00: HG LEU 96 + HG3 GLU 97 OK 100 100 100 100 2.5-5.4 11461/2.9=75...(29) HB3 LEU 100 + HG3 GLU 97 OK 34 76 45 99 5.0-7.1 3.2/10011=44, ~10012=44...(18) HB2 LEU 96 + HG3 GLU 97 OK 27 78 35 100 4.8-7.6 4.4/7348=68...(30) HG2 LYS 95 - HG3 GLU 97 far 9 92 10 - 5.8-10.8 HG3 LYS 95 - HG3 GLU 97 far 0 89 0 - 6.4-10.0 QB ALA 92 - HG3 GLU 97 far 0 65 0 - 6.8-9.0 QB ALA 16 - HG3 GLU 97 far 0 100 0 - 8.4-35.2 Violated in 0 structures by 0.00 A. Peak 10011 from cnoeabs.peaks (0.62, 2.42, 35.12 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.82: QD1 LEU 100 + HG3 GLU 97 OK 75 89 85 100 3.6-6.8 11107/9486=94...(20) QD1 ILE 129 + HG3 GLU 97 OK 27 78 35 98 5.6-7.6 10012/1.8=80...(9) QD1 LEU 42 - HG3 GLU 97 far 0 92 0 - 8.0-10.8 Violated in 9 structures by 0.12 A. Peak 10012 from cnoeabs.peaks (0.61, 2.27, 35.12 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 100 + HG2 GLU 97 OK 95 100 95 100 3.5-7.2 10036/3.8=84...(23) QD1 LEU 42 - HG2 GLU 97 far 0 65 0 - 8.0-11.5 Violated in 9 structures by 0.29 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 1.8-5.1 10527=99, 10526/1.8=85...(25) Violated in 1 structures by 0.03 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 4.6-6.3 3.6/11480=85...(30) H GLU 97 + HB2 LEU 98 OK 95 95 100 100 4.4-6.3 3.9/7363=95...(10) H SER 9 - HB2 LEU 98 far 0 100 0 - 7.3-59.8 Violated in 0 structures by 0.00 A. Peak 10021 from cnoeabs.peaks (8.50, 1.71, 26.74 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.96: H GLU 97 + HG LEU 98 OK 96 100 100 96 3.7-4.7 3.9/3176=66...(11) H LEU 100 - HG LEU 98 far 14 97 15 - 4.5-6.8 H SER 9 - HG LEU 98 far 0 97 0 - 8.4-60.2 H HIS 4 - HG LEU 98 far 0 73 0 - 9.0-72.3 Violated in 5 structures by 0.02 A. Peak 10022 from cnoeabs.peaks (1.78, 3.76, 63.21 ppm; 5.36 A): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 122 + HB2 SER 99 OK 97 97 100 100 1.8-6.0 3.1/11479=57...(33) HB3 LEU 98 + HB2 SER 99 OK 82 100 85 96 3.9-7.0 ~11480=58, 7378/3.7=40...(10) HG LEU 100 + HB2 SER 99 OK 69 99 70 99 3.6-7.0 3249/4.5=66...(16) HB3 LEU 103 + HB2 SER 99 OK 25 97 30 85 4.4-8.1 ~3372=24, ~3372=19...(16) 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 = 0.81: HB3 LEU 98 + HA SER 99 OK 65 65 100 100 3.9-5.5 1.8/11480=96, ~3166=58...(24) HG LEU 100 + HA SER 99 OK 46 85 55 99 5.8-7.8 3249/3.6=65...(16) 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 = 0.99: HA3 GLY 66 + QD2 LEU 100 OK 97 100 100 97 1.9-3.4 3.6/9461=34, 9449=31...(22) HA2 GLY 66 + QD2 LEU 100 OK 76 99 80 96 3.2-4.9 3.6/9461=34, 9449=30...(18) HA3 GLY 66 - QD2 LEU 62 far 0 66 0 - 4.9-6.3 HD2 PRO 58 - QD2 LEU 62 far 0 51 0 - 5.1-7.1 HA2 GLY 66 - QD2 LEU 62 far 0 63 0 - 5.1-6.5 HD2 PRO 56 - QD2 LEU 62 far 0 47 0 - 7.4-9.2 HD3 PRO 56 - QD2 LEU 62 far 0 58 0 - 7.7-8.9 HD2 PRO 58 - QD2 LEU 100 far 0 87 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (2.23, 0.68, 23.54 ppm; 4.26 A): 1 out of 14 assignments used, quality = 0.77: HB3 GLN 104 + QD2 LEU 100 OK 77 99 95 82 3.0-5.4 11436/10974=38...(11) HB2 GLN 101 - QD2 LEU 100 far 4 73 5 - 4.7-7.2 HG2 GLN 68 - QD2 LEU 100 far 0 100 0 - 5.5-9.2 HB3 LEU 96 - QD2 LEU 100 far 0 99 0 - 6.1-8.5 HB3 GLU 97 - QD2 LEU 100 far 0 93 0 - 6.1-7.2 HB2 GLN 68 - QD2 LEU 100 far 0 97 0 - 6.3-8.6 HB3 GLU 102 - QD2 LEU 100 far 0 100 0 - 6.4-7.9 HG2 GLN 68 - QD2 LEU 62 far 0 66 0 - 7.3-10.9 HB3 GLN 104 - QD2 LEU 62 far 0 63 0 - 7.9-10.5 HB2 GLN 68 - QD2 LEU 62 far 0 61 0 - 8.0-10.8 HB3 GLN 127 - QD2 LEU 62 far 0 66 0 - 8.5-11.3 HB3 GLU 102 - QD2 LEU 62 far 0 66 0 - 8.8-12.9 HB3 LEU 96 - QD2 LEU 62 far 0 65 0 - 8.9-10.9 HB3 GLN 127 - QD2 LEU 100 far 0 100 0 - 9.7-13.2 Violated in 13 structures by 0.16 A. Peak 10028 from cnoeabs.peaks (2.20, 3.96, 57.71 ppm; 5.52 A): 1 out of 4 assignments used, quality = 0.51: HB3 GLN 104 + HA LEU 100 OK 51 76 70 96 3.9-7.7 3.9/7481=66...(10) HB2 GLN 104 - HA LEU 100 far 15 97 15 - 5.6-7.8 HB2 GLN 101 - HA LEU 100 far 10 99 10 - 6.0-6.6 HB3 GLU 97 - HA LEU 100 far 0 89 0 - 6.7-7.8 Violated in 14 structures by 0.57 A. Peak 10029 from cnoeabs.peaks (2.22, 1.82, 41.28 ppm; 5.56 A): 5 out of 10 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 100 OK 99 99 100 100 3.8-6.5 3.0/3115=93...(32) HB3 GLN 127 + HB3 LEU 123 OK 61 77 80 100 5.4-8.4 11500/3.2=81, ~10436=66...(24) HB2 GLN 101 + HB2 LEU 100 OK 59 90 65 100 5.5-7.2 4.0/7411=81, ~10048=61...(14) HB3 GLN 104 + HB2 LEU 100 OK 49 100 50 99 4.3-9.6 10025/3.2=88...(9) HB3 LEU 96 + HB2 LEU 100 OK 33 93 35 100 5.6-8.5 ~11488=50, ~11918=47...(33) HB3 GLU 102 - HB2 LEU 100 far 0 99 0 - 6.9-9.1 HB3 LEU 96 - HB3 LEU 123 far 0 67 0 - 7.8-10.2 HG2 GLN 68 - HB2 LEU 100 far 0 98 0 - 8.4-11.7 HB2 GLN 68 - HB2 LEU 100 far 0 100 0 - 8.8-11.7 HB3 GLU 128 - HB3 LEU 123 far 0 77 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 10030 from cnoeabs.peaks (2.21, 0.60, 25.62 ppm; 4.74 A): 6 out of 10 assignments used, quality = 1.00: HB3 GLU 97 + QD1 LEU 100 OK 100 100 100 100 3.9-5.6 3.0/10036=79...(30) HB3 GLN 104 + QD1 LEU 100 OK 48 99 50 96 3.4-7.2 10025/2.1=80...(7) HG2 GLN 68 + QD1 LEU 100 OK 39 89 55 81 5.0-7.8 11036/10037=37...(10) HB2 GLN 101 + QD1 LEU 100 OK 38 99 40 96 4.2-7.2 7417/7415=61, ~10048=33...(13) HB3 LEU 96 + QD1 LEU 100 OK 31 78 40 100 4.5-7.4 3.0/11488=70...(32) HB2 GLN 104 + QD1 LEU 100 OK 20 71 30 96 4.6-7.8 ~10025=63, ~10025=63...(8) HB2 GLN 68 - QD1 LEU 100 far 0 100 0 - 5.9-7.8 HB3 GLU 102 - QD1 LEU 100 far 0 92 0 - 7.5-9.4 HB3 GLN 127 - QD1 LEU 100 far 0 96 0 - 8.4-12.4 HB3 GLU 128 - QD1 LEU 100 far 0 97 0 - 9.7-13.7 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 7 assignments used, quality = 0.62: HG3 GLN 61 + QD2 LEU 62 OK 62 66 95 98 2.6-5.7 10936/9319=67...(8) HG2 GLN 101 - QD2 LEU 100 poor 19 97 20 - 4.8-7.5 HG3 GLU 55 - QD2 LEU 62 far 5 54 10 - 5.3-9.3 HG3 GLU 97 - QD2 LEU 100 far 0 99 0 - 6.2-8.4 HG3 GLN 61 - QD2 LEU 100 far 0 100 0 - 6.8-9.5 HB3 PRO 58 - QD2 LEU 62 far 0 66 0 - 7.4-8.2 HB3 PRO 58 - QD2 LEU 100 far 0 100 0 - 9.6-11.4 Violated in 7 structures by 0.16 A. Peak 10034 from cnoeabs.peaks (3.37, 0.60, 25.62 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 63 + QD1 LEU 100 OK 100 100 100 100 2.1-4.5 9386/2.1=94, 10958=82...(27) HB2 HIS 67 + QD1 LEU 100 OK 66 71 95 98 2.9-6.4 3.0/10037=66...(13) HB3 TYR 72 - QD1 LEU 100 far 0 65 0 - 7.6-9.3 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 1.8-3.8 10024/2.1=51...(24) HA2 GLY 66 + QD1 LEU 100 OK 93 93 100 100 2.4-4.5 3.6/11037=47...(21) 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 4 assignments used, quality = 0.96: HA GLU 97 + QD1 LEU 100 OK 96 96 100 100 2.0-4.0 10001=93, 11090/11115=65...(32) HB2 SER 99 - QD1 LEU 100 far 14 92 15 - 4.3-6.9 HA ARG 90 - QD1 LEU 100 far 0 83 0 - 9.4-11.5 HB3 SER 130 - QD1 LEU 100 far 0 100 0 - 9.7-13.4 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 6 assignments used, quality = 0.99: HA HIS 67 + QD1 LEU 100 OK 99 99 100 100 1.9-4.3 9463=98, 11014/2.1=77...(18) HA SER 99 - QD1 LEU 100 far 0 99 0 - 6.3-7.1 HA SER 94 - QD1 LEU 100 far 0 76 0 - 6.9-8.7 HA VAL 105 - QD1 LEU 100 far 0 85 0 - 7.7-10.4 HA ALA 29 - QD1 LEU 100 far 0 85 0 - 9.7-21.7 HA ALA 28 - QD1 LEU 100 far 0 63 0 - 9.9-24.7 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 4 assignments used, quality = 0.60: HA LEU 53 + QD2 LEU 62 OK 60 64 95 99 1.8-5.0 9252=81, 1679/10338=58...(12) HA LEU 53 - QD2 LEU 100 far 0 99 0 - 6.6-11.2 HA VAL 105 - QD2 LEU 100 far 0 100 0 - 7.2-8.9 HB THR 25 - QD2 LEU 62 far 0 54 0 - 9.1-35.3 Violated in 3 structures by 0.07 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 4.9-5.6 10036/3266=92...(20) HB2 SER 99 + HA LEU 100 OK 85 85 100 100 3.8-5.5 ~7395=83, ~3219=81...(15) Violated in 0 structures by 0.00 A. Peak 10042 from cnoeabs.peaks (8.64, 0.60, 25.62 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.97: H HIS 67 + QD1 LEU 100 OK 97 97 100 100 2.2-4.1 11037=94, 10990/2.1=90...(19) H SER 50 - QD1 LEU 100 far 0 95 0 - 7.7-11.2 H SER 60 - QD1 LEU 100 far 0 83 0 - 8.1-10.3 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 7 assignments used, quality = 0.95: H SER 99 + QD1 LEU 100 OK 75 89 85 100 5.2-6.5 3.4/7401=82, ~3257=60...(24) H LEU 69 + QD1 LEU 100 OK 73 73 100 99 4.0-5.4 3.7/11493=79...(11) H LEU 96 + QD1 LEU 100 OK 30 100 30 100 5.6-7.8 2.9/11488=84...(18) H VAL 126 - QD1 LEU 100 poor 14 90 25 63 5.0-8.9 3083/11918=16...(11) H LEU 123 - QD1 LEU 100 far 5 92 5 - 5.5-9.4 H LEU 49 - QD1 LEU 100 far 0 63 0 - 6.6-9.6 H ALA 29 - QD1 LEU 100 far 0 68 0 - 9.5-23.8 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 1.9-4.2 9472=82, 11485/2.1=76...(12) QD TYR 72 - QD1 LEU 100 far 0 100 0 - 7.5-8.4 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 2 assignments used, quality = 1.00: H GLY 66 + QD1 LEU 100 OK 100 100 100 100 3.0-4.9 11032=72, 9384/2.1=65...(16) H ASN 59 - QD1 LEU 100 far 0 95 0 - 9.3-11.3 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 2.9-5.3 7485/3228=88...(12) H SER 106 + HA LEU 100 OK 41 100 55 75 6.8-8.2 11450/3228=38...(5) HD22 ASN 116 - HA LEU 100 poor 15 93 45 36 6.2-9.5 3378/3370=16...(5) 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 3.8-4.9 7412/2.9=77, ~7411=58...(21) QB ALA 108 - HA GLN 101 far 0 100 0 - 6.8-11.4 QB ALA 16 - HA CYS 79 far 0 71 0 - 7.4-33.5 HG LEU 96 - HA GLN 101 far 0 98 0 - 7.8-9.7 QB ALA 12 - HA GLN 101 far 0 60 0 - 8.5-41.4 QB ALA 109 - HA GLN 101 far 0 100 0 - 9.0-13.3 QB ALA 110 - HA GLN 101 far 0 99 0 - 9.4-16.3 HB2 LEU 96 - HA GLN 101 far 0 99 0 - 9.5-11.1 HB2 LEU 42 - HA CYS 79 far 0 79 0 - 9.8-11.7 Violated in 1 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (0.88, 2.30, 27.91 ppm; 4.70 A): 1 out of 6 assignments used, quality = 0.68: QD1 LEU 98 + HB3 GLN 101 OK 68 85 80 100 4.5-6.3 10055/2.9=78...(14) QD2 LEU 70 - HB3 GLN 101 poor 13 71 50 36 3.6-8.1 11397/7418=12, ~11409=11...(7) QD2 LEU 98 - HB3 GLN 101 far 5 100 5 - 4.6-8.2 QG1 VAL 118 - HB3 GLN 101 far 4 87 5 - 5.5-7.5 QG2 VAL 63 - HB3 GLN 101 far 0 60 0 - 6.2-8.5 QD2 LEU 69 - HB3 GLN 101 far 0 96 0 - 8.2-13.0 Violated in 16 structures by 0.46 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 3.4-6.1 11016/3.0=95...(21) 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 = 0.95: HB3 LEU 98 + HG3 GLN 101 OK 95 100 95 100 4.1-6.2 3.1/10055=86...(29) HB3 LEU 103 - HG3 GLN 101 far 0 99 0 - 6.2-9.9 HG LEU 100 - HG3 GLN 101 far 0 98 0 - 6.2-7.5 HB3 LEU 122 - HG3 GLN 101 far 0 99 0 - 7.1-10.9 Violated in 3 structures by 0.09 A. Peak 10052 from cnoeabs.peaks (1.66, 2.56, 33.80 ppm; 5.82 A): 1 out of 3 assignments used, quality = 0.99: HB2 LEU 98 + HG3 GLN 101 OK 99 99 100 100 3.9-5.9 1.8/10051=95...(27) HD3 LYS 95 - HG3 GLN 101 far 0 100 0 - 8.7-12.4 HD2 LYS 95 - HG3 GLN 101 far 0 100 0 - 8.8-12.9 Violated in 1 structures by 0.00 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 3.4-5.4 7412/3314=93...(15) HG LEU 96 - HG3 GLN 101 far 8 81 10 - 6.8-8.6 QB ALA 108 - HG3 GLN 101 far 5 99 5 - 6.7-13.6 HB2 LEU 96 - HG3 GLN 101 far 0 100 0 - 8.6-9.9 HG3 LYS 95 - HG3 GLN 101 far 0 98 0 - 9.0-11.4 QB ALA 110 - HG3 GLN 101 far 0 99 0 - 9.6-18.4 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.99, 2.56, 33.80 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.47: QG2 VAL 105 + HG3 GLN 101 OK 47 96 50 97 3.5-6.4 ~11503=53, 11451/7439=48...(12) QG2 VAL 118 - HG3 GLN 101 far 0 87 0 - 5.9-8.1 QG2 VAL 126 - HG3 GLN 101 far 0 63 0 - 8.3-9.6 Violated in 19 structures by 1.14 A. Peak 10055 from cnoeabs.peaks (0.87, 2.56, 33.80 ppm; 4.35 A): 1 out of 5 assignments used, quality = 0.92: QD1 LEU 98 + HG3 GLN 101 OK 92 97 95 100 3.4-5.3 10056/1.8=66...(12) QD2 LEU 70 - HG3 GLN 101 far 13 89 15 - 4.5-7.1 QD2 LEU 98 - HG3 GLN 101 far 5 100 5 - 3.4-6.8 QG1 VAL 118 - HG3 GLN 101 far 0 68 0 - 5.6-7.1 QD2 LEU 69 - HG3 GLN 101 far 0 100 0 - 9.2-12.4 Violated in 2 structures by 0.06 A. Peak 10056 from cnoeabs.peaks (0.88, 2.42, 33.80 ppm; 4.51 A): 2 out of 13 assignments used, quality = 0.92: QD1 LEU 98 + HG2 GLN 101 OK 76 85 90 100 3.2-6.6 10055/1.8=90...(13) QG2 VAL 57 + HG3 GLN 61 OK 68 68 100 100 2.7-4.6 10938/1.8=80...(30) QD2 LEU 70 - HG2 GLN 101 far 11 71 15 - 4.9-7.5 QD2 LEU 98 - HG2 GLN 101 far 10 100 10 - 4.4-7.1 QD2 LEU 48 - HG3 GLN 61 lone 6 51 70 17 4.0-6.9 10938/1.8=9, 9231/9242=4 QG2 VAL 63 - HG2 GLN 101 far 0 60 0 - 5.9-9.0 QG1 VAL 118 - HG2 GLN 101 far 0 87 0 - 6.0-7.3 QG2 VAL 63 - HG3 GLN 61 far 0 46 0 - 6.3-8.2 QD2 LEU 123 - HG3 GLN 61 far 0 87 0 - 7.7-12.2 QD2 LEU 69 - HG3 GLN 61 far 0 79 0 - 7.8-11.3 QG1 VAL 118 - HG3 GLN 61 far 0 70 0 - 8.8-11.3 QD1 LEU 22 - HG3 GLN 61 far 0 78 0 - 9.6-38.8 QD2 LEU 69 - HG2 GLN 101 far 0 96 0 - 9.7-13.5 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 16 assignments used, quality = 0.99: HB2 LEU 62 + QD1 LEU 103 OK 94 96 100 98 3.0-4.5 9395=49, ~11823=47...(18) HB VAL 118 + QD1 LEU 103 OK 86 96 90 100 1.8-5.6 2.1/10265=82, 11611=50...(31) HB2 GLU 102 - QD1 LEU 103 far 9 95 10 - 4.4-6.6 HG2 PRO 117 - QD1 LEU 103 far 0 92 0 - 5.3-9.5 HG3 PRO 117 - QD1 LEU 103 far 0 87 0 - 6.5-10.9 HB2 GLU 128 - QD1 LEU 96 far 0 62 0 - 6.8-8.3 HB2 LEU 62 - QD1 LEU 96 far 0 62 0 - 7.0-9.1 HB2 GLN 61 - QD1 LEU 103 far 0 60 0 - 7.3-9.5 HB2 GLN 127 - QD1 LEU 96 far 0 62 0 - 7.4-9.0 HB VAL 57 - QD1 LEU 103 far 0 81 0 - 7.6-8.5 HB2 GLU 102 - QD1 LEU 96 far 0 61 0 - 7.8-9.5 HB VAL 118 - QD1 LEU 96 far 0 62 0 - 7.8-9.0 QE MET 11 - QD1 LEU 103 far 0 63 0 - 8.2-37.0 HG3 PRO 113 - QD1 LEU 103 far 0 99 0 - 8.3-13.9 QE MET 11 - QD1 LEU 96 far 0 36 0 - 8.3-35.9 HG3 PRO 58 - QD1 LEU 103 far 0 100 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 10081 from cnoeabs.peaks (1.38, 4.19, 62.60 ppm; 5.30 A): 1 out of 5 assignments used, quality = 0.33: QB ALA 108 + HA VAL 105 OK 33 100 35 94 2.1-8.3 7559/11454=73...(4) QB ALA 12 - HA VAL 105 far 0 73 0 - 6.2-42.7 QB ALA 109 - HA VAL 105 far 0 100 0 - 7.1-11.4 QB ALA 110 - HA VAL 105 far 0 100 0 - 7.6-12.2 HB3 LEU 100 - HA VAL 105 far 0 100 0 - 8.5-11.0 Violated in 16 structures by 1.45 A. Peak 10082 from cnoeabs.peaks (1.39, 2.26, 31.98 ppm; 5.08 A): 0 out of 7 assignments used, quality = 0.00: QB ALA 108 - HB VAL 105 poor 20 100 20 - 4.2-9.2 QB ALA 109 - HB3 PRO 113 far 0 85 0 - 6.8-12.4 QB ALA 109 - HB VAL 105 far 0 100 0 - 6.8-11.5 QB ALA 110 - HB VAL 105 far 0 99 0 - 6.9-13.4 QB ALA 110 - HB3 PRO 113 far 0 83 0 - 8.3-11.0 QB ALA 108 - HB3 PRO 113 far 0 84 0 - 8.9-13.7 HB3 LEU 100 - HB VAL 105 far 0 97 0 - 9.4-11.2 Violated in 18 structures by 1.04 A. Peak 10083 from cnoeabs.peaks (2.54, 1.00, 20.13 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.73: HG3 GLU 102 + QG2 VAL 105 OK 73 93 80 98 3.6-5.3 3.7/10086=61, 11506=55...(8) HG3 GLN 101 - QG2 VAL 105 far 8 85 10 - 3.5-6.4 HG3 MET 11 - QG2 VAL 105 far 0 92 0 - 7.7-46.6 Violated in 17 structures by 0.47 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 10 100 10 - 4.0-7.1 QB ALA 110 - QG2 VAL 105 far 0 100 0 - 4.8-11.0 QB ALA 109 - QG2 VAL 105 far 0 100 0 - 5.3-8.9 HB3 LEU 100 - QG2 VAL 105 far 0 100 0 - 6.3-7.9 QB ALA 12 - QG2 VAL 105 far 0 73 0 - 6.8-35.8 HG LEU 96 - QG2 VAL 105 far 0 93 0 - 9.0-11.6 Violated in 20 structures by 1.46 A. Peak 10085 from cnoeabs.peaks (2.40, 0.96, 20.99 ppm; 3.71 A): 2 out of 4 assignments used, quality = 0.77: HG2 GLN 104 + QG1 VAL 105 OK 70 76 100 92 1.9-4.3 11529/2.1=56...(8) HG2 GLN 101 + QG1 VAL 105 OK 26 81 35 91 3.4-7.5 11503=40, ~10054=40...(12) HB3 PRO 58 - QG1 VAL 112 far 0 65 0 - 6.8-10.8 HG3 GLU 97 - QG1 VAL 105 far 0 87 0 - 9.3-12.8 Violated in 3 structures by 0.06 A. Peak 10086 from cnoeabs.peaks (4.04, 1.00, 20.13 ppm; 3.23 A): 2 out of 6 assignments used, quality = 0.98: HA GLU 102 + QG2 VAL 105 OK 98 99 100 99 1.8-2.4 11508=71, 3465/2.1=44...(14) HA LEU 103 + QG2 VAL 105 OK 24 65 60 62 3.7-5.3 3.6/10070=35...(5) HA LEU 119 - QG2 VAL 105 far 0 87 0 - 8.7-11.1 HA LYS 95 - QG2 VAL 105 far 0 73 0 - 9.4-12.0 HA LEU 96 - QG2 VAL 105 far 0 100 0 - 9.4-11.3 HA LEU 122 - QG2 VAL 105 far 0 99 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 10090 from cnoeabs.peaks (3.95, 0.96, 20.99 ppm; 4.76 A): 4 out of 14 assignments used, quality = 0.89: HD3 PRO 113 + QG1 VAL 112 OK 62 62 100 100 2.7-3.2 4.4=100 HA2 GLY 111 + QG1 VAL 112 OK 50 53 95 99 5.1-5.7 3.6/7589=72, 4.8/3550=62...(8) HB3 SER 106 + QG1 VAL 105 OK 24 60 40 100 5.2-6.7 4.0/7538=67, ~11466=50...(19) HA3 GLY 111 + QG1 VAL 112 OK 24 68 35 100 5.2-6.0 3.6/7589=72, ~10661=68...(8) HB2 SER 106 - QG1 VAL 105 far 13 89 15 - 5.5-6.7 HD3 PRO 117 - QG1 VAL 112 far 3 69 5 - 5.6-9.3 HB3 SER 107 - QG1 VAL 105 far 0 97 0 - 5.8-7.6 HB2 SER 107 - QG1 VAL 105 far 0 65 0 - 6.0-8.3 HA LEU 100 - QG1 VAL 105 far 0 96 0 - 6.1-8.4 HB2 SER 107 - QG1 VAL 112 far 0 38 0 - 7.1-12.4 HB3 SER 107 - QG1 VAL 112 far 0 63 0 - 7.8-12.7 HB2 SER 106 - QG1 VAL 112 far 0 55 0 - 8.4-12.9 HA3 GLY 14 - QG1 VAL 105 far 0 57 0 - 8.5-40.4 HB3 SER 106 - QG1 VAL 112 far 0 34 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (2.25, 3.98, 63.90 ppm; 5.46 A): 4 out of 9 assignments used, quality = 0.99: HB VAL 105 + HB3 SER 106 OK 90 95 95 100 4.2-6.6 7537/4.0=80, ~11466=65...(16) HB VAL 105 + HB2 SER 106 OK 78 78 100 100 4.3-6.1 7537/4.0=80, ~11466=65...(15) HB3 GLU 102 + HB3 SER 106 OK 52 76 90 76 2.2-7.5 ~11473=40, 4.6/7463=15...(10) HB3 GLU 102 + HB2 SER 106 OK 37 59 95 65 2.5-8.0 ~11473=27, 10093/3.0=14...(10) HB3 GLN 104 - HB3 SER 107 poor 14 20 70 - 4.5-7.6 HB VAL 105 - HB3 SER 107 far 4 40 10 - 6.0-8.3 HB3 GLU 102 - HB3 SER 107 far 1 29 5 - 6.1-11.3 HB3 GLN 104 - HB2 SER 106 far 0 44 0 - 7.0-9.7 HB3 GLN 104 - HB3 SER 106 far 0 57 0 - 7.0-10.1 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 3.8-4.5 2.1/11466=88...(17) HB3 GLN 101 - HA SER 106 far 0 73 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (1.39, 3.98, 63.90 ppm; 4.20 A): 2 out of 13 assignments used, quality = 0.71: QB ALA 108 + HB2 SER 106 OK 53 86 65 94 3.4-6.3 11883/3.0=73...(9) QB ALA 108 + HB3 SER 106 OK 38 100 40 95 2.8-6.6 11883/3.0=73...(10) QB ALA 109 - HB3 SER 106 poor 20 100 20 - 3.6-8.1 QB ALA 108 - HB3 SER 107 poor 16 46 35 - 4.4-6.0 QB ALA 110 - HB2 SER 106 far 9 86 10 - 3.0-12.0 QB ALA 109 - HB2 SER 106 lone 5 87 30 19 2.0-8.3 11532/3.0=7, ~11461=6...(5) QB ALA 110 - HB3 SER 106 far 5 100 5 - 2.8-12.3 QB ALA 109 - HB3 SER 107 far 5 46 10 - 4.0-9.0 QB ALA 110 - HB3 SER 107 far 4 45 10 - 4.4-9.9 HB3 LEU 100 - HB3 SER 107 far 0 43 0 - 8.9-14.1 HB3 LEU 100 - HB3 SER 106 far 0 99 0 - 9.2-12.9 HB3 LEU 100 - HB2 SER 106 far 0 83 0 - 9.7-13.2 QB ALA 15 - HB3 SER 107 far 0 45 0 - 9.8-40.5 Violated in 9 structures by 0.35 A. Peak 10095 from cnoeabs.peaks (1.00, 3.98, 63.90 ppm; 3.89 A): 3 out of 6 assignments used, quality = 0.99: QG2 VAL 105 + HB3 SER 106 OK 93 100 95 98 2.5-4.8 11466/3.0=57...(16) QG2 VAL 105 + HB2 SER 106 OK 85 86 100 98 3.0-4.7 11466/3.0=57...(15) QG2 VAL 118 + HB3 SER 106 OK 36 98 55 66 3.4-7.0 10265/10096=26...(7) QG2 VAL 118 - HB2 SER 106 poor 17 83 20 - 2.8-6.9 QG2 VAL 118 - HB3 SER 107 far 2 43 5 - 3.9-10.4 QG2 VAL 105 - HB3 SER 107 far 0 46 0 - 5.3-7.1 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 = 0.57: QD1 LEU 103 + HB3 SER 106 OK 38 99 45 85 3.7-6.5 11469/4.0=33...(19) QD1 LEU 103 + HB2 SER 106 OK 31 85 45 81 4.3-7.8 11469/4.0=33, ~11536=19...(19) QD1 LEU 103 - HB3 SER 107 poor 11 44 25 - 2.2-8.2 QG1 VAL 63 - HB3 SER 107 poor 11 44 25 - 3.7-9.2 QD2 LEU 119 - HB3 SER 107 far 1 26 5 - 3.6-13.5 QD2 LEU 119 - HB3 SER 106 far 0 71 0 - 5.7-11.4 QD2 LEU 122 - HB3 SER 107 far 0 41 0 - 5.8-12.4 QD2 LEU 119 - HB2 SER 106 far 0 55 0 - 6.1-12.6 QG1 VAL 63 - HB2 SER 106 far 0 84 0 - 6.5-10.2 QG1 VAL 63 - HB3 SER 106 far 0 99 0 - 6.8-10.1 QD2 LEU 122 - HB2 SER 106 far 0 80 0 - 6.9-12.2 QD2 LEU 122 - HB3 SER 106 far 0 97 0 - 7.3-11.3 QD1 LEU 53 - HB3 SER 107 far 0 35 0 - 8.0-18.4 QD2 LEU 49 - HB3 SER 107 far 0 31 0 - 9.1-16.0 QD1 LEU 96 - HB3 SER 107 far 0 45 0 - 9.6-14.2 Violated in 11 structures by 0.46 A. Peak 10104 from cnoeabs.peaks (1.40, 3.96, 63.62 ppm; 4.58 A): 3 out of 13 assignments used, quality = 0.77: QB ALA 108 + HB2 SER 106 OK 51 65 80 98 3.4-6.3 11883/3.0=81...(9) QB ALA 108 + HB3 SER 107 OK 41 92 45 98 4.4-6.0 7559/4.7=61...(8) QB ALA 108 + HB3 SER 106 OK 20 38 55 98 2.8-6.6 11883/3.0=81...(9) QB ALA 109 - HB3 SER 107 poor 15 97 25 61 4.0-9.0 10852/3.0=24, ~3503=13...(8) QB ALA 110 - HB3 SER 107 far 13 89 15 - 4.4-9.9 QB ALA 109 - HB3 SER 106 poor 12 41 30 - 3.6-8.1 QB ALA 110 - HB2 SER 106 far 6 62 10 - 3.0-12.0 QB ALA 109 - HB2 SER 106 poor 5 70 30 24 2.0-8.3 11532/3.0=8, ~11461=7...(6) QB ALA 110 - HB3 SER 106 far 2 36 5 - 2.8-12.3 HB3 LEU 100 - HB3 SER 107 far 0 83 0 - 8.9-14.1 HB3 LEU 100 - HB3 SER 106 far 0 32 0 - 9.2-12.9 HB3 LEU 100 - HB2 SER 106 far 0 56 0 - 9.7-13.2 QB ALA 15 - HB3 SER 107 far 0 89 0 - 9.8-40.5 Violated in 0 structures by 0.00 A. Peak 10105 from cnoeabs.peaks (1.01, 3.96, 63.62 ppm; 3.90 A): 2 out of 6 assignments used, quality = 0.85: QG2 VAL 105 + HB2 SER 106 OK 74 76 100 98 3.0-4.7 11466/3.0=56, 11531=51...(15) QG2 VAL 105 + HB3 SER 106 OK 42 45 95 98 2.5-4.8 11466/3.0=56...(16) QG2 VAL 118 - HB2 SER 106 poor 15 76 20 - 2.8-6.9 QG2 VAL 118 - HB3 SER 106 poor 11 46 55 42 3.4-7.0 10265/10106=10...(7) QG2 VAL 118 - HB3 SER 107 far 5 100 5 - 3.9-10.4 QG2 VAL 105 - HB3 SER 107 far 0 100 0 - 5.3-7.1 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 = 0.43: QD1 LEU 103 + HB2 SER 106 OK 28 76 45 83 4.3-7.8 11469/4.0=35, ~11536=20...(19) QG1 VAL 63 + HB3 SER 107 OK 20 100 25 82 3.7-9.2 2.1/11853=76...(6) QD1 LEU 103 - HB3 SER 107 poor 20 100 25 80 2.2-8.2 11486/4.7=41...(14) QD1 LEU 103 - HB3 SER 106 poor 19 46 50 84 3.7-6.5 11469/4.0=35...(20) QD2 LEU 119 - HB3 SER 107 far 4 78 5 - 3.6-13.5 QD2 LEU 119 - HB3 SER 106 far 0 30 0 - 5.7-11.4 QD2 LEU 122 - HB3 SER 107 far 0 99 0 - 5.8-12.4 QD2 LEU 119 - HB2 SER 106 far 0 53 0 - 6.1-12.6 QG1 VAL 63 - HB2 SER 106 far 0 76 0 - 6.5-10.2 QG1 VAL 63 - HB3 SER 106 far 0 45 0 - 6.8-10.1 QD2 LEU 122 - HB2 SER 106 far 0 73 0 - 6.9-12.2 QD1 LEU 122 - HB3 SER 106 far 0 23 0 - 7.3-12.0 QD2 LEU 122 - HB3 SER 106 far 0 43 0 - 7.3-11.3 QD1 LEU 122 - HB3 SER 107 far 0 63 0 - 7.4-13.2 QD1 LEU 122 - HB2 SER 106 far 0 41 0 - 8.0-12.4 QD1 LEU 53 - HB3 SER 107 far 0 92 0 - 8.0-18.4 QD2 LEU 49 - HB3 SER 107 far 0 87 0 - 9.1-16.0 QD1 LEU 96 - HB3 SER 107 far 0 99 0 - 9.6-14.2 Violated in 16 structures by 0.66 A. Peak 10107 from cnoeabs.peaks (1.82, 3.92, 63.62 ppm; 4.64 A): 2 out of 9 assignments used, quality = 0.83: HB2 LYS 36 + HB2 SER 33 OK 72 86 85 99 3.6-5.7 10779/1.8=81, ~10778=49...(12) HB ILE 32 + HB2 SER 33 OK 39 86 45 100 5.2-6.2 6361/6367=83...(16) HB3 LYS 26 - HB2 SER 33 far 9 87 10 - 4.0-17.1 HB3 LYS 19 - HB2 SER 33 far 0 81 0 - 6.4-21.1 HB3 LYS 31 - HB2 SER 33 far 0 81 0 - 6.5-9.3 HB3 ARG 23 - HB2 SER 33 far 0 87 0 - 7.9-23.2 HB3 LEU 122 - HB2 SER 107 far 0 60 0 - 9.0-16.4 HB2 LEU 100 - HB2 SER 107 far 0 100 0 - 9.5-14.7 HB3 LYS 24 - HB2 SER 33 far 0 83 0 - 10.0-24.9 Violated in 17 structures by 0.10 A. Peak 10109 from cnoeabs.peaks (1.40, 3.92, 63.62 ppm; 4.14 A): 2 out of 14 assignments used, quality = 0.82: QB ALA 34 + HB2 SER 33 OK 77 77 100 100 4.4-5.0 10861/1.8=74...(11) QB ALA 108 + HB2 SER 107 OK 24 83 30 97 3.9-5.7 2.9/7556=60...(9) QB ALA 110 - HB2 SER 107 poor 16 78 20 - 3.1-9.3 QB ALA 109 - HB2 SER 107 poor 11 90 25 50 3.5-8.1 10852/3.0=21...(7) HG2 LYS 26 - HB2 SER 33 far 5 49 10 - 3.5-18.7 HG3 LYS 26 - HB2 SER 33 far 3 60 5 - 4.6-18.8 HG2 LYS 36 - HB2 SER 33 far 3 58 5 - 3.4-8.3 HG3 LYS 31 - HB2 SER 33 far 0 77 0 - 5.4-8.9 QB ALA 29 - HB2 SER 33 far 0 58 0 - 6.1-9.5 QB ALA 15 - HB2 SER 33 far 0 62 0 - 8.3-25.5 QB ALA 16 - HB2 SER 33 far 0 87 0 - 8.4-24.0 QB ALA 28 - HB2 SER 33 far 0 64 0 - 8.4-11.8 HB3 LEU 100 - HB2 SER 107 far 0 71 0 - 8.6-14.4 HG2 LYS 24 - HB2 SER 33 far 0 56 0 - 8.7-25.2 Violated in 18 structures by 0.19 A. Peak 10110 from cnoeabs.peaks (0.96, 3.92, 63.62 ppm; 5.39 A): 0 out of 6 assignments used, quality = 0.00: QG1 VAL 105 - HB2 SER 107 poor 17 100 20 86 6.0-8.3 11448/4.1=60, ~10113=52...(4) QG2 ILE 37 - HB2 SER 33 poor 14 58 25 - 6.1-8.5 QD1 LEU 119 - HB2 SER 107 far 13 87 15 - 4.2-12.7 QD2 LEU 53 - HB2 SER 107 far 0 99 0 - 6.6-18.5 QG1 VAL 112 - HB2 SER 107 far 0 99 0 - 7.1-12.4 QG1 VAL 57 - HB2 SER 107 far 0 97 0 - 9.4-15.8 Violated in 17 structures by 0.42 A. Peak 10111 from cnoeabs.peaks (0.81, 3.92, 63.62 ppm; 5.34 A): 0 out of 6 assignments used, quality = 0.00: QD2 LEU 119 - HB2 SER 107 far 14 95 15 - 2.6-14.2 QD2 LEU 122 - HB2 SER 107 far 0 65 0 - 6.6-13.4 QD1 LEU 122 - HB2 SER 107 far 0 99 0 - 7.2-13.7 QD1 LEU 53 - HB2 SER 107 far 0 83 0 - 7.8-18.8 QD2 LEU 22 - HB2 SER 33 far 0 49 0 - 8.3-23.3 QD2 LEU 49 - HB2 SER 107 far 0 89 0 - 9.6-16.6 Violated in 18 structures by 2.30 A. Peak 10112 from cnoeabs.peaks (1.39, 4.39, 58.42 ppm; 4.82 A): 4 out of 14 assignments used, quality = 1.00: QB ALA 108 + HA SER 107 OK 98 98 100 100 3.7-4.9 7559/7555=93...(16) HG2 LYS 36 + HA SER 33 OK 64 80 80 99 4.5-7.6 3.0/10778=68, ~10779=39...(17) QB ALA 109 + HA SER 107 OK 59 100 85 69 3.6-7.4 2.9/3503=29...(9) QB ALA 34 + HA SER 33 OK 57 57 100 100 4.0-5.0 5.0=89, 2.9/939=76...(15) QB ALA 29 - HA SER 33 poor 19 80 45 52 4.7-8.9 10790/10774=32...(3) QB ALA 110 - HA SER 107 lone 1 97 25 6 3.5-9.0 3526/3503=2...(3) HG3 LYS 31 - HA SER 33 far 0 89 0 - 6.5-9.5 HG3 LYS 26 - HA SER 33 far 0 82 0 - 6.7-18.0 QB ALA 15 - HA SER 9 far 0 89 0 - 7.4-17.5 QB ALA 16 - HA SER 33 far 0 83 0 - 7.9-25.7 QB ALA 28 - HA SER 33 far 0 84 0 - 8.5-11.5 HB3 LEU 100 - HA SER 107 far 0 93 0 - 9.7-12.3 QB ALA 16 - HA SER 9 far 0 89 0 - 9.9-19.3 QB ALA 15 - HA SER 107 far 0 97 0 - 10.0-42.9 Violated in 0 structures by 0.00 A. Peak 10113 from cnoeabs.peaks (0.98, 4.39, 58.42 ppm; 5.06 A): 1 out of 7 assignments used, quality = 0.35: QG2 VAL 105 + HA SER 107 OK 35 81 45 96 5.5-6.5 11485/7555=58, ~11448=45...(9) QG2 VAL 118 - HA SER 107 poor 13 65 20 - 4.9-8.8 QG1 VAL 105 - HA SER 107 far 0 76 0 - 6.6-7.6 QG1 VAL 112 - HA SER 107 far 0 92 0 - 6.6-11.7 QD2 LEU 53 - HA SER 107 far 0 90 0 - 8.1-16.6 QG1 VAL 105 - HA SER 9 far 0 68 0 - 8.1-47.9 QG2 VAL 105 - HA SER 9 far 0 72 0 - 9.0-48.0 Violated in 20 structures by 0.95 A. Peak 10115 from cnoeabs.peaks (0.77, 4.39, 58.42 ppm; 5.27 A): 4 out of 7 assignments used, quality = 1.00: QD1 ILE 32 + HA SER 33 OK 88 88 100 100 5.8-6.1 930/10828=84...(20) QD1 LEU 103 + HA SER 107 OK 86 97 90 98 4.0-6.5 11486/7555=66...(20) QD1 ILE 37 + HA SER 33 OK 83 86 100 97 3.5-4.5 10786/3.0=74...(8) QG1 VAL 63 + HA SER 107 OK 28 96 35 85 5.0-8.6 ~11853=58, ~11854=31...(7) QD2 LEU 122 - HA SER 107 far 0 90 0 - 7.9-11.7 QD1 LEU 53 - HA SER 107 far 0 76 0 - 9.6-16.6 QD2 LEU 49 - HA SER 107 far 0 68 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 10117 from cnoeabs.peaks (3.94, 1.38, 19.17 ppm; 3.36 A): 3 out of 35 assignments used, quality = 0.76: HA3 GLY 111 + QB ALA 110 OK 49 100 55 89 3.8-4.5 4.8=33, 3.0/7578=32...(19) HA2 GLY 111 + QB ALA 109 OK 37 78 70 68 3.5-6.0 3.6/10136=17...(16) HA2 GLY 14 + QB ALA 15 OK 25 65 45 85 3.9-5.0 4.9=32, 6117/2.9=19...(11) HA2 GLY 111 - QB ALA 110 far 14 93 15 - 3.9-5.1 HB2 SER 106 - QB ALA 109 far 10 65 15 - 2.0-8.3 HB2 SER 106 - QB ALA 108 far 8 81 10 - 3.4-6.3 HA3 GLY 14 - QB ALA 15 far 7 67 10 - 4.1-5.0 HA3 GLY 111 - QB ALA 108 far 5 100 5 - 3.5-9.3 HD3 PRO 113 - QB ALA 109 far 4 85 5 - 3.6-10.4 HB2 SER 106 - QB ALA 110 far 4 80 5 - 3.0-12.0 HB3 SER 107 - QB ALA 109 far 4 76 5 - 4.0-9.0 HB2 SER 107 - QB ALA 108 far 4 76 5 - 3.9-5.7 HB2 SER 107 - QB ALA 110 far 4 75 5 - 3.1-9.3 HB2 SER 107 - QB ALA 109 far 3 61 5 - 3.5-8.1 HD3 PRO 117 - QB ALA 110 far 0 99 0 - 4.3-13.8 HA3 GLY 17 - QB ALA 15 far 0 89 0 - 4.3-7.3 HB3 SER 107 - QB ALA 110 far 0 91 0 - 4.4-9.9 HB3 SER 107 - QB ALA 108 far 0 92 0 - 4.4-6.0 HA3 GLY 111 - QB ALA 109 far 0 88 0 - 4.4-6.5 HD3 PRO 117 - QB ALA 109 far 0 86 0 - 4.4-8.9 HA2 GLY 17 - QB ALA 15 far 0 89 0 - 4.7-7.6 HA2 GLY 111 - QB ALA 108 far 0 93 0 - 4.8-9.0 HD3 PRO 117 - QB ALA 108 far 0 99 0 - 4.9-11.5 HA THR 65 - QB ALA 29 far 0 67 0 - 5.2-22.0 HD3 PRO 113 - QB ALA 110 far 0 98 0 - 6.0-8.7 HA LEU 100 - QB ALA 108 far 0 90 0 - 6.3-12.0 HD3 PRO 113 - QB ALA 108 far 0 99 0 - 7.2-11.6 HA2 GLY 17 - QB ALA 28 far 0 88 0 - 7.8-18.1 HA LEU 100 - QB ALA 109 far 0 75 0 - 7.8-12.2 HA THR 65 - QB ALA 28 far 0 68 0 - 7.9-23.0 HA3 GLY 17 - QB ALA 28 far 0 88 0 - 9.1-18.8 HA LEU 100 - QB ALA 110 far 0 90 0 - 9.2-15.2 HA2 GLY 17 - QB ALA 29 far 0 86 0 - 9.7-21.1 HB3 SER 107 - QB ALA 15 far 0 91 0 - 9.8-40.5 HA2 GLY 14 - QB ALA 29 far 0 61 0 - 9.9-24.6 Violated in 11 structures by 0.13 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 2.7-3.2 11556=87, 1.8/10125=87...(34) HA2 GLY 111 - QG1 VAL 112 far 0 100 0 - 5.1-5.7 HA3 GLY 111 - QG1 VAL 112 far 0 96 0 - 5.2-6.0 HD3 PRO 117 - QG1 VAL 112 far 0 85 0 - 5.6-9.3 HB3 SER 107 - QG1 VAL 105 far 0 38 0 - 5.8-7.6 HB2 SER 107 - QG1 VAL 105 far 0 63 0 - 6.0-8.3 HA LEU 100 - QG1 VAL 105 far 0 36 0 - 6.1-8.4 HB2 SER 107 - QG1 VAL 112 far 0 97 0 - 7.1-12.4 HB3 SER 107 - QG1 VAL 112 far 0 65 0 - 7.8-12.7 HA3 GLY 14 - QG1 VAL 105 far 0 59 0 - 8.5-40.4 HA2 GLY 14 - QG1 VAL 105 far 0 58 0 - 8.7-39.0 HB3 SER 60 - QG1 VAL 105 far 0 41 0 - 8.8-11.7 HB2 SER 60 - QG1 VAL 105 far 0 41 0 - 8.8-12.4 HB3 SER 60 - QG1 VAL 112 far 0 71 0 - 9.5-13.4 HB2 SER 60 - QG1 VAL 112 far 0 71 0 - 9.6-14.5 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 1.7-1.9 11557=97, 1.8/10124=78...(35) Violated in 0 structures by 0.00 A. Peak 10126 from cnoeabs.peaks (3.94, 0.92, 20.16 ppm; 3.69 A): 3 out of 7 assignments used, quality = 1.00: HA2 GLY 111 + QG2 VAL 112 OK 97 99 100 98 3.5-4.0 3.6/3556=60, 10661=60...(13) HA3 GLY 111 + QG2 VAL 112 OK 93 99 95 98 3.9-4.6 1.8/10661=67...(12) HD3 PRO 113 + QG2 VAL 112 OK 60 100 60 100 4.1-4.7 10139=88, 10124/2.1=78...(39) HD3 PRO 117 - QG2 VAL 112 far 5 95 5 - 4.1-9.6 HB2 SER 107 - QG2 VAL 112 far 0 89 0 - 5.5-10.7 HB3 SER 107 - QG2 VAL 112 far 0 81 0 - 6.3-11.3 HB2 SER 106 - QG2 VAL 112 far 0 65 0 - 6.6-10.9 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 2.7-4.7 2.1/11549=97...(15) HA ALA 109 + HB VAL 112 OK 60 100 60 100 3.8-9.8 11771/2.1=95...(11) HA ALA 110 - HB VAL 112 far 5 100 5 - 5.6-8.6 HA ALA 108 - HB VAL 112 far 0 100 0 - 7.6-10.4 Violated in 0 structures by 0.00 A. Peak 10129 from cnoeabs.peaks (3.93, 2.12, 32.23 ppm; 3.69 A): 1 out of 7 assignments used, quality = 0.40: HD3 PRO 113 + HB VAL 112 OK 40 99 40 100 4.0-4.9 1.8/11570=79...(38) HA2 GLY 111 - HB VAL 112 far 5 100 5 - 4.4-6.3 HA3 GLY 111 - HB VAL 112 far 0 92 0 - 4.8-6.4 HD3 PRO 117 - HB VAL 112 far 0 78 0 - 5.2-9.8 HB2 SER 107 - HB VAL 112 far 0 99 0 - 6.1-14.2 HB3 SER 107 - HB VAL 112 far 0 57 0 - 7.0-14.7 HB2 SER 60 - HB VAL 112 far 0 78 0 - 9.6-15.4 Violated in 20 structures by 0.89 A. Peak 10130 from cnoeabs.peaks (3.70, 2.12, 32.23 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + HB VAL 112 OK 100 100 100 100 2.7-4.0 11570=100, 10125/2.1=74...(39) Violated in 12 structures by 0.21 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 3.3-4.0 10137=99, 10125/2.1=91...(39) 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 = 0.94: QB ALA 109 + HB VAL 112 OK 94 99 95 100 1.9-8.5 10135/2.1=91, ~11771=68...(13) QB ALA 110 - HB VAL 112 far 9 95 10 - 3.9-7.0 QB ALA 108 - HB VAL 112 far 0 97 0 - 5.7-9.0 Violated in 1 structures by 0.19 A. Peak 10135 from cnoeabs.peaks (1.40, 0.97, 20.69 ppm; 3.64 A): 1 out of 8 assignments used, quality = 0.86: QB ALA 109 + QG1 VAL 112 OK 86 92 95 98 3.2-7.5 11548/2.1=52...(14) QB ALA 108 - QG1 VAL 105 far 5 52 10 - 3.6-8.4 QB ALA 110 - QG1 VAL 112 far 4 81 5 - 3.9-6.8 QB ALA 108 - QG1 VAL 112 far 0 85 0 - 5.9-8.2 HB3 LEU 100 - QG1 VAL 105 far 0 43 0 - 6.1-9.0 QB ALA 110 - QG1 VAL 105 far 0 48 0 - 7.0-12.0 QB ALA 109 - QG1 VAL 105 far 0 58 0 - 7.1-10.7 HG LEU 96 - QG1 VAL 105 far 0 67 0 - 10.0-13.0 Violated in 16 structures by 0.39 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 3.3-4.0 10131=96, 2.1/10125=85...(39) QD1 LEU 119 - HD2 PRO 113 far 0 99 0 - 5.3-7.8 QD1 LEU 62 - HD2 PRO 113 far 0 83 0 - 7.0-9.8 QG1 VAL 57 - HD2 PRO 113 far 0 92 0 - 8.2-11.6 Violated in 7 structures by 0.02 A. Peak 10139 from cnoeabs.peaks (0.93, 3.94, 50.95 ppm; 4.11 A): 1 out of 9 assignments used, quality = 0.97: QG2 VAL 112 + HD3 PRO 113 OK 97 97 100 100 4.1-4.7 2.1/10124=89...(39) QD1 LEU 119 - HD3 PRO 117 poor 14 71 20 - 4.8-6.0 QD1 LEU 119 - HD3 PRO 113 far 10 99 10 - 4.4-8.0 QG2 VAL 112 - HD3 PRO 117 far 7 69 10 - 4.1-9.6 QD1 LEU 62 - HD3 PRO 113 far 0 83 0 - 5.9-10.0 QG1 VAL 57 - HD3 PRO 113 far 0 92 0 - 7.0-11.0 QD1 LEU 62 - HD3 PRO 117 far 0 55 0 - 7.2-9.1 QG2 VAL 63 - HD3 PRO 113 far 0 76 0 - 8.6-13.0 QG2 VAL 63 - HD3 PRO 117 far 0 49 0 - 8.9-11.0 Violated in 18 structures by 0.33 A. Peak 10140 from cnoeabs.peaks (0.95, 1.91, 31.81 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.88: QG1 VAL 112 + HB2 PRO 113 OK 83 83 100 100 4.6-5.1 3.2/11566=75...(45) QD1 LEU 119 + HB2 PRO 113 OK 28 99 30 93 4.0-7.3 10160/7592=67...(6) QG1 VAL 57 - HB2 PRO 113 far 10 100 10 - 5.8-10.7 QD2 LEU 53 - HB2 PRO 113 far 4 85 5 - 5.9-11.0 QG2 VAL 112 - HB2 PRO 113 far 0 73 0 - 6.3-6.5 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 10 assignments used, quality = 0.41: HG LEU 123 + HB2 GLN 127 OK 41 64 65 100 5.1-7.3 ~11500=82, ~10437=73...(22) HB2 LEU 103 - HG2 PRO 117 far 5 90 5 - 6.4-9.0 HG LEU 103 - HG2 PRO 117 far 0 69 0 - 7.4-10.5 HG LEU 49 - HB2 GLN 127 far 0 67 0 - 7.7-11.6 HB2 LEU 103 - HG3 PRO 117 far 0 84 0 - 8.0-10.7 HG LEU 122 - HG2 PRO 117 far 0 51 0 - 8.0-11.5 HG LEU 103 - HG3 PRO 117 far 0 63 0 - 8.8-12.2 HG LEU 122 - HB2 GLN 127 far 0 35 0 - 9.4-12.0 HG LEU 122 - HG3 PRO 117 far 0 46 0 - 9.7-13.2 HG LEU 103 - HG3 PRO 58 far 0 43 0 - 10.0-12.9 Violated in 14 structures by 0.66 A. Peak 10142 from cnoeabs.peaks (0.97, 2.06, 27.46 ppm; 4.42 A): 3 out of 17 assignments used, quality = 1.00: QG1 VAL 112 + HG3 PRO 113 OK 100 100 100 100 3.0-3.5 10125/2.3=93...(41) QG1 VAL 57 + HG3 PRO 58 OK 46 46 100 100 4.1-4.4 9309/2.3=72, 9308/2.3=72...(21) QG1 VAL 126 + HB2 GLN 127 OK 25 63 40 99 4.1-5.6 10394/3.0=76...(11) QG2 VAL 126 - HB2 GLN 127 far 0 67 0 - 5.5-6.9 QD1 LEU 119 - HG3 PRO 113 far 0 71 0 - 5.8-7.9 QD1 LEU 119 - HG2 PRO 117 far 0 58 0 - 5.8-7.2 QD1 LEU 119 - HG3 PRO 117 far 0 53 0 - 6.4-7.8 QG1 VAL 112 - HG3 PRO 117 far 0 84 0 - 6.9-11.1 QD2 LEU 53 - HB2 GLN 127 far 0 68 0 - 7.2-9.5 QG1 VAL 112 - HG2 PRO 117 far 0 90 0 - 7.4-11.1 QD1 LEU 119 - HG3 PRO 58 far 0 35 0 - 8.0-10.5 QD2 LEU 53 - HG3 PRO 113 far 0 100 0 - 8.1-13.1 QG1 VAL 57 - HG3 PRO 113 far 0 87 0 - 8.1-12.5 QD2 LEU 53 - HG2 PRO 117 far 0 90 0 - 8.3-11.9 QG1 VAL 112 - HG3 PRO 58 far 0 60 0 - 8.5-12.4 QD2 LEU 53 - HG3 PRO 117 far 0 84 0 - 9.0-12.4 QD2 LEU 53 - HG3 PRO 58 far 0 60 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 10143 from cnoeabs.peaks (0.82, 2.06, 27.46 ppm; 6.80 A): 6 out of 16 assignments used, quality = 1.00: HG13 ILE 80 + HG3 PRO 81 OK 86 86 100 100 4.6-6.7 ~11248=81, ~11178=80...(30) QG2 ILE 80 + HG3 PRO 81 OK 79 79 100 100 3.1-4.6 11281/2.3=96, ~2478=86...(28) QG1 VAL 133 + HG3 PRO 81 OK 64 80 80 100 2.1-9.6 ~11757=91, 10574=81...(18) QD2 LEU 119 + HG2 PRO 117 OK 31 58 55 97 5.4-8.5 ~10252=88, 4.6/11265=19...(11) QD2 LEU 119 + HG3 PRO 117 OK 27 53 55 94 5.9-9.2 ~10252=88...(7) QD2 LEU 119 + HG3 PRO 113 OK 22 71 40 77 5.8-9.3 10193/10189=57...(3) QD1 LEU 122 - HB2 GLN 127 poor 18 51 35 - 6.9-10.6 QD2 LEU 49 - HB2 GLN 127 poor 15 33 45 - 6.7-9.3 QD1 LEU 122 - HG2 PRO 117 far 7 71 10 - 7.3-9.7 QG2 ILE 129 - HB2 GLN 127 far 7 67 10 - 7.6-8.1 QD2 LEU 119 - HG3 PRO 58 far 2 35 5 - 7.6-12.4 QG1 VAL 133 - HB2 GLN 127 far 0 62 0 - 8.0-11.3 QG2 ILE 129 - HG3 PRO 81 far 0 86 0 - 8.5-11.5 QD1 LEU 122 - HG3 PRO 117 far 0 65 0 - 8.8-11.1 QD2 LEU 22 - HG3 PRO 58 far 0 49 0 - 9.4-39.9 QD2 LEU 49 - HG3 PRO 58 far 0 29 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (1.16, 2.06, 27.46 ppm; 6.04 A): 4 out of 14 assignments used, quality = 0.88: QG2 THR 115 + HG3 PRO 113 OK 71 71 100 100 2.6-6.1 2.1/10189=98...(9) HG3 LYS 39 + HG3 PRO 81 OK 29 86 60 57 4.2-11.8 10567/10575=25...(10) QG2 THR 115 + HG2 PRO 117 OK 26 58 55 80 6.2-7.2 11575/2.3=59...(5) QG2 THR 115 + HG3 PRO 117 OK 25 53 60 79 5.7-7.5 11575/2.3=59...(5) HG2 LYS 39 - HG3 PRO 81 poor 18 55 75 44 3.1-10.2 11778/10574=19...(10) QG1 VAL 132 - HG3 PRO 81 poor 16 46 70 49 5.5-8.1 11778/10574=16...(7) QG2 THR 25 - HG3 PRO 58 far 2 31 5 - 4.8-36.5 QG2 VAL 132 - HB2 GLN 127 far 0 47 0 - 7.0-8.7 HB3 LEU 62 - HG3 PRO 58 far 0 50 0 - 7.3-10.2 QG2 VAL 132 - HG3 PRO 81 far 0 63 0 - 7.9-10.6 QG2 VAL 77 - HG3 PRO 81 far 0 61 0 - 8.2-9.1 QG2 THR 115 - HG3 PRO 58 far 0 35 0 - 9.1-12.7 QG1 VAL 132 - HB2 GLN 127 far 0 33 0 - 9.5-11.2 QB ALA 41 - HG3 PRO 81 far 0 80 0 - 9.8-14.1 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 7 assignments used, quality = 0.00: HB3 CYS 125 - HB2 GLN 127 poor 15 59 25 - 6.3-8.1 HD3 ARG 135 - HG3 PRO 81 far 4 73 5 - 5.4-12.0 HD2 ARG 84 - HG3 PRO 81 far 3 63 5 - 7.5-12.5 HD3 ARG 84 - HG3 PRO 81 far 0 63 0 - 8.1-12.7 HB3 HIS 4 - HG3 PRO 117 far 0 74 0 - 8.2-77.4 HB3 HIS 4 - HG2 PRO 117 far 0 80 0 - 8.4-75.7 HB2 HIS 5 - HG2 PRO 117 far 0 80 0 - 9.7-71.1 Violated in 12 structures by 0.28 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 4.3-4.7 2.9/7591=94, 11572=76...(10) HA ALA 52 - HA PRO 113 far 0 95 0 - 8.3-13.5 Violated in 12 structures by 0.07 A. Peak 10153 from cnoeabs.peaks (7.92, 3.70, 50.95 ppm; 5.44 A): 2 out of 3 assignments used, quality = 0.99: H VAL 112 + HD2 PRO 113 OK 98 98 100 100 4.4-4.8 4.8=100 H THR 115 + HD2 PRO 113 OK 48 81 60 99 4.3-7.2 7600/7596=63, ~11939=56...(13) HD22 ASN 116 - HD2 PRO 113 far 0 98 0 - 6.4-12.0 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 = 0.98: H VAL 112 + HA PRO 113 OK 94 100 100 95 4.9-5.5 7589/11507=56, ~11566=44...(6) H THR 115 + HA PRO 113 OK 69 71 100 97 3.1-5.5 4.6/7591=71...(10) HD22 ASN 116 - HA PRO 113 far 9 95 10 - 4.6-11.9 Violated in 3 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (7.93, 3.94, 50.95 ppm; 5.26 A): 3 out of 7 assignments used, quality = 1.00: H VAL 112 + HD3 PRO 113 OK 99 99 100 100 4.0-5.0 4.8=100 HD22 ASN 116 + HD3 PRO 117 OK 68 68 100 100 3.4-5.5 10214/1.8=65...(12) H THR 115 + HD3 PRO 113 OK 22 76 30 95 5.2-7.9 ~11939=53, 4.0/11560=31...(12) H THR 115 - HD3 PRO 117 far 7 49 15 - 4.7-7.4 HD22 ASN 116 - HD3 PRO 113 far 5 97 5 - 5.8-13.3 H VAL 112 - HD3 PRO 117 far 0 72 0 - 6.6-11.6 H SER 106 - HD3 PRO 117 far 0 37 0 - 8.1-12.4 Violated in 0 structures by 0.00 A. Peak 10157 from cnoeabs.peaks (1.93, 3.88, 45.18 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: HG2 PRO 113 + HA2 GLY 114 OK 99 99 100 100 6.1-7.5 ~7593=90, ~7595=88...(12) HB2 PRO 113 + HA2 GLY 114 OK 90 90 100 100 5.4-6.3 ~7591=97, ~3593=95...(19) HG LEU 53 - HA2 GLY 114 far 10 97 10 - 7.0-15.4 HB3 LEU 123 - HA2 GLY 114 far 0 38 0 - 8.3-15.0 HB2 PRO 58 - HA2 GLY 114 far 0 76 0 - 9.0-17.1 Violated in 0 structures by 0.00 A. Peak 10158 from cnoeabs.peaks (1.90, 4.12, 45.18 ppm; 5.50 A): 1 out of 2 assignments used, quality = 0.99: HB2 PRO 113 + HA3 GLY 114 OK 99 99 100 100 5.4-5.7 7592/2.9=93...(18) HB3 LEU 123 - HA3 GLY 114 far 0 74 0 - 8.5-15.3 Violated in 13 structures by 0.08 A. Peak 10162 from cnoeabs.peaks (1.13, 3.88, 45.18 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 115 + HA2 GLY 114 OK 99 99 100 100 3.8-5.1 2.1/10187=91...(13) HB3 LEU 62 - HA2 GLY 114 far 0 89 0 - 7.9-14.5 Violated in 3 structures by 0.04 A. Peak 10163 from cnoeabs.peaks (0.94, 3.88, 45.18 ppm; 4.72 A): 2 out of 9 assignments used, quality = 0.85: QD1 LEU 119 + HA2 GLY 114 OK 80 100 80 100 1.9-6.3 10160/2.9=80...(14) QG1 VAL 112 + HA2 GLY 114 OK 23 63 40 92 4.6-7.1 11544/10187=35...(11) QD2 LEU 53 - HA2 GLY 114 poor 13 65 20 - 4.0-11.4 QD1 LEU 62 - HA2 GLY 114 lone 4 68 60 9 4.3-10.2 3787/2253=5, 10165/1.8=2 QG2 VAL 112 - HA2 GLY 114 far 0 90 0 - 6.6-8.0 QG1 VAL 57 - HA2 GLY 114 far 0 98 0 - 7.0-13.9 QG2 VAL 63 - HA2 GLY 114 far 0 60 0 - 8.7-13.9 QD1 LEU 49 - HA2 GLY 114 far 0 65 0 - 8.9-16.0 QD1 LEU 123 - HA2 GLY 114 far 0 96 0 - 9.0-14.4 Violated in 2 structures by 0.03 A. Peak 10164 from cnoeabs.peaks (1.12, 4.12, 45.18 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 115 + HA3 GLY 114 OK 97 97 100 100 4.8-5.3 11574=93, 7607/7604=84...(11) HB3 LEU 62 - HA3 GLY 114 far 0 83 0 - 8.0-15.8 Violated in 20 structures by 0.17 A. Peak 10165 from cnoeabs.peaks (0.93, 4.12, 45.18 ppm; 5.39 A): 1 out of 8 assignments used, quality = 0.89: QD1 LEU 119 + HA3 GLY 114 OK 89 93 95 100 1.8-6.9 10160/2.9=93...(12) QD1 LEU 62 - HA3 GLY 114 lone 3 93 45 8 4.0-11.1 10163/1.8=3...(3) QG2 VAL 112 - HA3 GLY 114 far 0 100 0 - 6.7-8.2 QG1 VAL 57 - HA3 GLY 114 far 0 81 0 - 6.7-14.4 QG1 VAL 118 - HA3 GLY 114 far 0 63 0 - 7.1-11.4 QD1 LEU 123 - HA3 GLY 114 far 0 100 0 - 9.1-14.5 QG2 VAL 63 - HA3 GLY 114 far 0 89 0 - 9.5-14.9 QD1 LEU 49 - HA3 GLY 114 far 0 92 0 - 9.5-15.8 Violated in 4 structures by 0.14 A. Peak 10174 from cnoeabs.peaks (2.85, 4.40, 61.68 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 116 + HA THR 115 OK 100 100 100 100 5.3-5.8 7615/3638=91...(15) HB3 ASN 59 - HA THR 115 far 0 63 0 - 9.4-13.5 Violated in 20 structures by 0.37 A. Peak 10175 from cnoeabs.peaks (3.89, 4.40, 61.68 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 114 + HA THR 115 OK 100 100 100 100 4.3-4.7 5.0=90, 7603/3.0=89...(15) HD2 PRO 117 + HA THR 115 OK 38 65 60 98 3.4-6.4 4.8/3638=63...(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 4.5-5.0 2.9/3638=95...(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 2.8-3.8 3670/11575=81...(19) Violated in 0 structures by 0.00 A. Peak 10181 from cnoeabs.peaks (3.91, 1.13, 21.32 ppm; 4.77 A): 2 out of 5 assignments used, quality = 0.69: HD3 PRO 113 + QG2 THR 115 OK 48 73 65 100 3.9-6.0 10124/11499=71...(17) HA2 GLY 111 + QG2 THR 115 OK 41 87 50 95 4.3-7.5 10661/11553=76...(5) HB2 SER 107 - QG2 THR 115 far 15 98 15 - 4.5-13.3 HB2 SER 60 - QG2 THR 115 far 0 100 0 - 9.1-14.2 HB3 SER 60 - QG2 THR 115 far 0 100 0 - 9.3-14.1 Violated in 13 structures by 0.16 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 2.4-4.0 3.0/10179=90...(19) Violated in 0 structures by 0.00 A. Peak 10185 from cnoeabs.peaks (2.10, 1.13, 21.32 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.90: HB VAL 112 + QG2 THR 115 OK 90 90 100 100 1.8-2.4 11497=85, 2.1/11499=85...(18) HB2 GLU 102 - QG2 THR 115 far 0 83 0 - 7.9-13.0 HB VAL 57 - QG2 THR 115 far 0 96 0 - 8.1-11.2 HB3 GLN 61 - QG2 THR 115 far 0 100 0 - 8.7-13.2 HG3 PRO 58 - QG2 THR 115 far 0 57 0 - 9.1-12.7 HB2 GLN 61 - QG2 THR 115 far 0 100 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 10186 from cnoeabs.peaks (1.85, 1.13, 21.32 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.36: HB3 LEU 119 + QG2 THR 115 OK 36 81 45 100 5.5-7.6 3.1/10195=92, ~10296=59...(12) Violated in 20 structures by 1.22 A. Peak 10189 from cnoeabs.peaks (2.06, 4.27, 69.69 ppm; 5.46 A): 1 out of 4 assignments used, quality = 0.89: HG3 PRO 113 + HB THR 115 OK 89 100 90 99 2.4-6.6 11939/3636=77...(8) HG3 PRO 117 - HB THR 115 far 0 98 0 - 7.7-10.2 HG2 PRO 117 - HB THR 115 far 0 99 0 - 8.5-10.2 HB VAL 118 - HB THR 115 far 0 100 0 - 8.6-10.2 Violated in 6 structures by 0.21 A. Peak 10191 from cnoeabs.peaks (1.38, 4.27, 69.69 ppm; 3.66 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - HB THR 115 far 14 95 15 - 4.1-12.5 QB ALA 108 - HB THR 115 far 0 98 0 - 6.4-12.1 QB ALA 110 - HB THR 115 far 0 99 0 - 7.7-10.4 Violated in 20 structures by 2.04 A. Peak 10192 from cnoeabs.peaks (0.93, 4.27, 69.69 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.93: QG2 VAL 112 + HB THR 115 OK 79 99 80 100 3.8-5.8 11553/2.1=96...(18) QD1 LEU 119 + HB THR 115 OK 68 97 70 100 4.4-6.9 10296=89, 11623/3636=72...(10) QD1 LEU 62 - HB THR 115 far 0 87 0 - 6.7-10.1 QG1 VAL 57 - HB THR 115 far 0 89 0 - 9.8-14.2 Violated in 8 structures by 0.12 A. Peak 10193 from cnoeabs.peaks (0.81, 4.27, 69.69 ppm; 5.96 A): 1 out of 3 assignments used, quality = 0.49: QD2 LEU 119 + HB THR 115 OK 49 98 50 100 5.5-8.5 2.1/10296=93, ~11623=72...(11) QD1 LEU 103 - HB THR 115 far 0 63 0 - 7.4-12.2 QD1 LEU 53 - HB THR 115 far 0 90 0 - 9.9-15.1 Violated in 17 structures by 1.11 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 1.8-3.0 11499=94, 2.1/11553=58...(20) QD1 LEU 119 + QG2 THR 115 OK 38 71 60 90 2.5-4.5 2.1/10195=48...(12) QD2 LEU 53 - QG2 THR 115 far 0 100 0 - 6.3-10.7 QG1 VAL 57 - QG2 THR 115 far 0 87 0 - 7.9-10.5 QG1 VAL 105 - QG2 THR 115 far 0 99 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. Peak 10195 from cnoeabs.peaks (0.76, 1.13, 21.32 ppm; 5.01 A): 0 out of 4 assignments used, quality = 0.00: QD1 LEU 103 - QG2 THR 115 poor 10 85 50 24 4.5-9.2 11541/10196=8...(5) QD2 LEU 103 - QG2 THR 115 far 4 78 5 - 5.3-8.3 QD2 LEU 122 - QG2 THR 115 far 0 73 0 - 7.2-11.4 QG1 VAL 63 - QG2 THR 115 far 0 83 0 - 9.0-12.5 Violated in 15 structures by 0.57 A. Peak 10196 from cnoeabs.peaks (1.37, 1.13, 21.32 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.61: QB ALA 109 + QG2 THR 115 OK 61 89 85 81 2.0-8.8 10732/11553=34...(10) QB ALA 108 - QG2 THR 115 far 5 95 5 - 3.8-8.5 QB ALA 110 - QG2 THR 115 far 0 97 0 - 4.8-7.3 Violated in 12 structures by 0.54 A. Peak 10200 from cnoeabs.peaks (2.04, 4.97, 51.55 ppm; 4.34 A): 3 out of 5 assignments used, quality = 1.00: HG3 PRO 117 + HA ASN 116 OK 97 97 100 100 4.3-4.6 2.3/3667=89, 2.3/3670=88...(23) HG2 PRO 117 + HA ASN 116 OK 93 93 100 100 4.1-4.5 2.3/3667=89, 2.3/3670=88...(23) HB VAL 118 + HA ASN 116 OK 40 89 45 99 4.3-5.7 2.1/10276=58...(16) HG3 PRO 113 - HA ASN 116 far 0 81 0 - 6.4-11.1 HB2 LEU 62 - HA ASN 116 far 0 89 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 10206 from cnoeabs.peaks (3.86, 2.85, 38.95 ppm; 6.44 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.9-5.1 4.8=100 HA2 GLY 114 + HB2 ASN 116 OK 82 83 100 99 5.0-7.1 3.6/10173=88...(6) HA LEU 62 - HB2 ASN 116 far 0 89 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (3.95, 2.85, 38.95 ppm; 5.38 A): 1 out of 8 assignments used, quality = 1.00: HD3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 2.9-4.7 4.8=100 HA2 GLY 111 - HB2 ASN 116 poor 20 78 25 - 4.3-12.3 HB2 SER 106 - HB2 ASN 116 poor 19 95 20 - 4.6-12.8 HB3 SER 106 - HB2 ASN 116 poor 18 71 25 - 5.5-11.5 HB3 SER 107 - HB2 ASN 116 far 15 99 15 - 4.4-13.5 HA3 GLY 111 - HB2 ASN 116 far 15 99 15 - 4.4-11.9 HD3 PRO 113 - HB2 ASN 116 far 14 90 15 - 5.9-11.3 HA LEU 100 - HB2 ASN 116 far 0 99 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 10208 from cnoeabs.peaks (3.98, 2.93, 38.95 ppm; 5.87 A): 1 out of 6 assignments used, quality = 0.73: HD3 PRO 117 + HB3 ASN 116 OK 73 73 100 100 2.1-4.8 4.8=100 HB3 SER 107 - HB3 ASN 116 far 14 90 15 - 4.4-13.0 HB3 SER 106 - HB3 ASN 116 lone 6 100 40 16 5.6-11.1 11949/11831=4...(4) HB2 SER 106 - HB3 ASN 116 lone 5 97 40 12 4.4-12.3 11949/11831=6...(3) HB3 SER 99 - HB3 ASN 116 far 0 60 0 - 7.0-10.7 HA LEU 100 - HB3 ASN 116 far 0 92 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 10225 from cnoeabs.peaks (1.61, 2.85, 38.95 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.89: HG LEU 119 + HB2 ASN 116 OK 89 99 90 100 2.0-7.6 11584/1.8=89...(30) HG LEU 122 - HB2 ASN 116 far 0 97 0 - 7.6-11.5 HB2 LEU 122 - HB2 ASN 116 far 0 99 0 - 7.7-12.7 Violated in 6 structures by 0.27 A. Peak 10227 from cnoeabs.peaks (0.95, 2.85, 38.95 ppm; 4.96 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 119 + HB2 ASN 116 OK 99 99 100 100 1.7-4.5 10295/1.8=97, 10294=84...(30) QG1 VAL 112 + HB2 ASN 116 OK 23 83 35 81 4.6-7.1 11499/10184=38...(9) QG2 VAL 112 - HB2 ASN 116 poor 18 73 50 50 4.3-7.2 11553/10184=31...(5) QD2 LEU 53 - HB2 ASN 116 far 0 85 0 - 5.9-10.9 QG1 VAL 57 - HB2 ASN 116 far 0 100 0 - 9.0-13.5 QG1 VAL 105 - HB2 ASN 116 far 0 96 0 - 9.3-13.5 QD1 LEU 123 - HB2 ASN 116 far 0 83 0 - 9.8-13.2 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 6 assignments used, quality = 0.99: QD1 LEU 119 + HB3 ASN 116 OK 99 99 100 100 1.9-3.9 10294/1.8=99, 10295=99...(27) QG1 VAL 112 - HB3 ASN 116 poor 19 83 45 51 4.4-8.2 10230/7616=19...(7) QD2 LEU 53 - HB3 ASN 116 poor 17 85 20 - 6.1-9.8 QG2 VAL 112 - HB3 ASN 116 poor 9 73 50 25 3.0-8.4 10227/1.8=12, ~10227=12 QG1 VAL 57 - HB3 ASN 116 far 0 100 0 - 9.0-13.4 QG1 VAL 105 - HB3 ASN 116 far 0 96 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 10232 from cnoeabs.peaks (0.80, 4.97, 51.55 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.74: QD2 LEU 119 + HA ASN 116 OK 55 100 55 100 4.4-6.8 2.1/11583=80...(38) QD1 LEU 103 + HA ASN 116 OK 43 90 50 96 4.2-9.1 10265/10276=58...(11) QD1 LEU 122 - HA ASN 116 far 0 98 0 - 7.7-10.7 QD2 LEU 122 - HA ASN 116 far 0 97 0 - 7.7-11.3 QD1 LEU 53 - HA ASN 116 far 0 100 0 - 9.7-12.3 Violated in 9 structures by 0.32 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 3.3-5.0 4.8=100 H VAL 132 - HD2 PRO 81 far 0 56 0 - 8.1-11.5 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 4.1-4.8 4.8=100 H ASN 116 - HD3 PRO 113 far 11 74 15 - 5.8-8.9 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 = 0.61: H LEU 119 + HA PRO 117 OK 61 63 100 98 3.8-4.8 3.8/11562=61...(12) Violated in 3 structures by 0.01 A. Peak 10237 from cnoeabs.peaks (8.10, 4.37, 64.81 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.93: H ASN 120 + HA PRO 117 OK 79 81 100 98 3.4-3.9 11562=71, 3.8/11968=47...(8) H ASN 121 + HA PRO 117 OK 68 76 95 94 4.0-5.3 4.1/11562=48...(11) H LEU 103 - HA PRO 117 far 0 90 0 - 9.0-11.4 H ALA 109 - HA PRO 117 far 0 92 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 10238 from cnoeabs.peaks (2.83, 3.86, 51.04 ppm; 5.97 A): 2 out of 2 assignments used, quality = 0.98: HB2 ASN 116 + HD2 PRO 117 OK 89 89 100 100 3.9-5.1 4.8=100 HB3 ASN 85 + HD2 PRO 81 OK 80 85 95 98 3.4-7.0 11236/4.0=94, ~9789=29...(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 5 assignments used, quality = 1.00: HB3 ASN 116 + HD2 PRO 117 OK 100 100 100 100 3.5-5.1 4.8=100 HE2 LYS 39 + HD2 PRO 81 OK 36 90 65 61 4.9-10.3 10571/11757=39...(10) HE3 LYS 39 + HD2 PRO 81 OK 20 90 40 56 5.3-11.2 10571/11757=31...(10) HE3 LYS 86 - HD2 PRO 81 poor 9 46 20 - 4.8-9.8 HD2 ARG 135 - HD2 PRO 81 far 4 86 5 - 5.8-12.8 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 2.9-4.7 4.8=100 HB2 ASN 116 - HD3 PRO 113 far 7 47 15 - 5.9-11.3 HB2 ASN 121 - HD3 PRO 117 far 0 68 0 - 6.5-9.9 HB3 ASN 120 - HD3 PRO 117 far 0 73 0 - 6.7-9.3 HB2 ASN 120 - HD3 PRO 117 far 0 73 0 - 7.1-9.7 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 2.1-4.8 4.8=100 HB3 ASN 116 - HD3 PRO 113 poor 14 56 25 - 5.4-12.2 Violated in 0 structures by 0.00 A. Peak 10242 from cnoeabs.peaks (2.80, 2.36, 32.10 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.45: HB3 ASN 120 + HB2 PRO 117 OK 45 100 45 100 4.7-7.4 10301=99, 10302/1.8=80...(12) HB2 ASN 120 - HB2 PRO 117 far 15 100 15 - 4.8-7.4 HB2 ASN 121 - HB2 PRO 117 far 0 100 0 - 5.5-9.1 Violated in 20 structures by 0.99 A. Peak 10243 from cnoeabs.peaks (2.83, 2.01, 32.10 ppm; 5.52 A): 4 out of 6 assignments used, quality = 0.95: HB3 ASN 120 + HB3 PRO 117 OK 64 68 95 99 4.5-7.2 10301/1.8=61...(11) HB2 ASN 120 + HB3 PRO 117 OK 61 68 90 100 4.2-6.9 ~10301=82, ~10242=79...(12) HB2 ASN 121 + HB3 PRO 117 OK 53 63 85 99 4.0-7.5 3.8/10316=63...(14) HB3 ASP 64 + HB VAL 63 OK 25 25 100 100 3.8-4.4 3.9/6824=75, ~10980=65...(16) HB2 ASN 116 - HB3 PRO 117 far 0 78 0 - 6.7-7.7 HB2 ASN 116 - HB VAL 63 far 0 28 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 10247 from cnoeabs.peaks (4.98, 4.37, 64.81 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.96: HA ASN 116 + HA PRO 117 OK 96 96 100 100 4.4-4.6 4.8=100 Violated in 0 structures by 0.00 A. Peak 10248 from cnoeabs.peaks (4.94, 2.36, 32.10 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.68: HA ASN 116 + HB2 PRO 117 OK 68 68 100 100 4.8-5.2 3667/3.0=68, 3669/3.0=68...(21) Violated in 0 structures by 0.00 A. Peak 10249 from cnoeabs.peaks (4.96, 2.01, 32.10 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB3 PRO 117 OK 100 100 100 100 5.5-5.6 3667/3.0=94, 3670/3.0=94...(21) Violated in 20 structures by 0.32 A. Peak 10257 from cnoeabs.peaks (4.96, 2.05, 27.30 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 116 + HG2 PRO 117 OK 100 100 100 100 4.1-4.5 3667/2.3=80, 3670/2.3=79...(23) HA ASN 116 + HG3 PRO 117 OK 100 100 100 100 4.3-4.6 3667/2.3=80, 3670/2.3=79...(23) HA ASN 116 - HG3 PRO 113 far 0 90 0 - 6.4-11.1 Violated in 1 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 = 0.98: HG LEU 119 + HB VAL 118 OK 95 100 95 100 3.2-5.8 7654/7648=76...(20) HG LEU 122 + HB VAL 118 OK 59 93 65 97 4.4-8.0 11104/3.0=32, ~11612=22...(24) HB2 LEU 122 - HB VAL 118 far 15 97 15 - 4.9-8.2 HG LEU 62 - HB VAL 118 far 0 60 0 - 7.0-9.5 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 5 assignments used, quality = 0.00: QB ALA 110 - HB VAL 118 far 5 99 5 - 5.4-12.9 QB ALA 108 - HB VAL 118 far 5 98 5 - 4.0-10.5 QB ALA 109 - HB VAL 118 far 5 95 5 - 4.0-9.2 HB3 LEU 100 - HB VAL 118 far 0 100 0 - 8.0-9.3 HB2 LEU 96 - HB VAL 118 far 0 100 0 - 9.4-12.6 Violated in 19 structures by 1.60 A. Peak 10260 from cnoeabs.peaks (1.82, 0.90, 21.66 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.96: HB3 LEU 122 + QG1 VAL 118 OK 73 73 100 99 2.5-4.1 3.5/11748=58...(27) HB3 LEU 103 + QG1 VAL 118 OK 71 71 100 100 2.4-4.1 3.0/11836=54, ~10263=53...(26) HB2 LEU 100 + QG1 VAL 118 OK 47 100 90 52 4.0-5.7 7411/11397=23...(8) HB3 LEU 123 - QG1 VAL 118 far 0 76 0 - 5.9-7.4 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 1.8-2.8 10263/2.1=50...(30) HG LEU 103 + QG1 VAL 118 OK 91 92 100 100 2.1-4.2 ~10265=44, 2.1/11612=37...(25) HB2 LEU 119 - QG1 VAL 118 far 0 68 0 - 4.6-5.7 HG LEU 49 - QG1 VAL 118 far 0 100 0 - 7.3-10.4 HG LEU 123 - QG1 VAL 118 far 0 100 0 - 7.8-8.9 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 5 100 5 - 4.7-5.8 QB ALA 108 - QG1 VAL 118 far 5 99 5 - 3.4-9.3 QB ALA 109 - QG1 VAL 118 far 5 97 5 - 4.4-8.8 HB2 LEU 96 - QG1 VAL 118 far 0 100 0 - 5.8-8.6 QB ALA 110 - QG1 VAL 118 far 0 100 0 - 5.8-11.9 HG LEU 96 - QG1 VAL 118 far 0 85 0 - 6.9-8.3 HG3 LYS 95 - QG1 VAL 118 far 0 99 0 - 8.2-10.6 HG2 LYS 95 - QG1 VAL 118 far 0 98 0 - 8.8-11.2 Violated in 19 structures by 0.87 A. Peak 10263 from cnoeabs.peaks (1.58, 1.01, 22.19 ppm; 3.75 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 103 + QG2 VAL 118 OK 99 99 100 100 2.0-4.1 3.2/10265=64...(39) HG LEU 103 + QG2 VAL 118 OK 29 65 45 100 3.8-5.3 2.1/10265=83...(26) HG LEU 122 - QG2 VAL 118 far 12 81 15 - 4.5-7.1 HB2 LEU 122 - QG2 VAL 118 far 0 71 0 - 4.7-7.5 HG LEU 70 - QG2 VAL 118 far 0 63 0 - 9.6-12.2 HG LEU 123 - QG2 VAL 118 far 0 90 0 - 9.7-10.5 HG LEU 49 - QG2 VAL 118 far 0 97 0 - 10.0-12.9 Violated in 4 structures by 0.03 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 108 - QG2 VAL 118 far 5 100 5 - 1.9-8.8 QB ALA 110 - QG2 VAL 118 far 5 100 5 - 4.4-11.4 QB ALA 109 - QG2 VAL 118 far 5 99 5 - 3.5-8.1 HB3 LEU 100 - QG2 VAL 118 far 0 100 0 - 6.2-7.6 HB2 LEU 96 - QG2 VAL 118 far 0 100 0 - 7.5-10.6 HG3 LYS 95 - QG2 VAL 118 far 0 100 0 - 8.0-11.4 HG LEU 96 - QG2 VAL 118 far 0 92 0 - 8.4-10.3 HG2 LYS 95 - QG2 VAL 118 far 0 100 0 - 8.8-11.8 Violated in 19 structures by 1.55 A. Peak 10265 from cnoeabs.peaks (0.78, 1.01, 22.19 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.93: QD1 LEU 103 + QG2 VAL 118 OK 84 100 85 99 1.9-5.0 11611/2.1=35...(37) QD2 LEU 122 + QG2 VAL 118 OK 41 99 45 92 3.4-7.0 11612/2.1=21...(35) QD2 LEU 119 + QG2 VAL 118 OK 28 81 40 88 3.9-6.5 4.6/3753=26...(17) QD1 LEU 122 - QG2 VAL 118 far 3 65 5 - 3.6-6.4 QD1 LEU 96 - QG2 VAL 118 far 0 99 0 - 6.2-8.0 QD1 LEU 53 - QG2 VAL 118 far 0 93 0 - 6.8-10.1 QG1 VAL 63 - QG2 VAL 118 far 0 100 0 - 6.9-8.0 QD2 LEU 49 - QG2 VAL 118 far 0 89 0 - 7.1-9.8 Violated in 4 structures by 0.06 A. Peak 10266 from cnoeabs.peaks (2.34, 1.01, 22.19 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.46: HG2 GLU 102 + QG2 VAL 118 OK 46 92 50 99 2.4-6.4 1.8/10267=64...(16) HB2 PRO 117 - QG2 VAL 118 far 0 87 0 - 5.0-5.4 Violated in 12 structures by 1.04 A. Peak 10267 from cnoeabs.peaks (2.52, 1.01, 22.19 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.50: HG3 GLU 102 + QG2 VAL 118 OK 50 99 50 100 2.2-6.0 1.8/10266=89...(17) Violated in 12 structures by 0.75 A. Peak 10268 from cnoeabs.peaks (2.34, 0.90, 21.66 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.43: HG2 GLU 102 + QG1 VAL 118 OK 43 95 45 100 2.6-7.3 10266/2.1=85...(18) HB2 PRO 117 - QG1 VAL 118 far 0 90 0 - 6.9-7.1 HG2 GLN 127 - QG1 VAL 118 far 0 98 0 - 9.8-12.3 HG3 GLN 68 - QG1 VAL 118 far 0 78 0 - 10.0-13.1 Violated in 15 structures by 1.24 A. Peak 10269 from cnoeabs.peaks (2.53, 0.90, 21.66 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.78: HG3 GLU 102 + QG1 VAL 118 OK 78 98 80 100 2.8-6.6 1.8/10268=98...(19) HG3 GLN 101 - QG1 VAL 118 poor 15 73 20 - 5.6-7.1 Violated in 11 structures by 0.42 A. Peak 10270 from cnoeabs.peaks (3.99, 1.01, 22.19 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.98: HB3 SER 99 + QG2 VAL 118 OK 93 97 100 96 2.5-3.9 11475/2.1=54...(14) HA LEU 103 + QG2 VAL 118 OK 77 78 100 98 2.7-4.1 3.0/10279=46...(18) HB3 SER 106 - QG2 VAL 118 poor 19 90 40 54 3.4-7.0 10096/10265=20...(8) HB2 SER 106 - QG2 VAL 118 poor 13 63 20 - 2.8-6.9 HA LYS 95 - QG2 VAL 118 far 0 71 0 - 7.4-9.7 HB2 SER 124 - QG2 VAL 118 far 0 100 0 - 9.0-10.4 HA SER 60 - QG2 VAL 118 far 0 92 0 - 9.1-10.8 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 2 assignments used, quality = 0.96: HA SER 99 + QG2 VAL 118 OK 96 96 100 100 2.4-3.9 11599/2.1=99...(15) HA HIS 67 - QG2 VAL 118 far 0 96 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (4.40, 1.01, 22.19 ppm; 5.33 A): 0 out of 5 assignments used, quality = 0.00: HA SER 107 - QG2 VAL 118 poor 8 92 30 28 4.9-8.8 10115/10265=17, 10113=8...(4) HA HIS 5 - QG2 VAL 118 far 5 99 5 - 6.1-56.7 HA THR 115 - QG2 VAL 118 far 0 100 0 - 7.3-8.7 HA ASN 120 - QG2 VAL 118 far 0 78 0 - 7.3-7.5 HA VAL 112 - QG2 VAL 118 far 0 85 0 - 7.9-12.1 Violated in 18 structures by 0.67 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 3.6-5.2 10251/7642=63...(16) Violated in 3 structures by 0.02 A. Peak 10277 from cnoeabs.peaks (4.97, 2.06, 31.53 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB VAL 118 OK 100 100 100 100 4.3-5.7 10276/2.1=99...(16) 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 = 0.67: HD22 ASN 116 + QG2 VAL 118 OK 67 78 90 95 1.9-5.5 1.7/11532=40...(14) H GLN 104 - QG2 VAL 118 far 10 100 10 - 4.9-6.5 H SER 106 - QG2 VAL 118 far 10 100 10 - 4.6-7.0 H THR 115 - QG2 VAL 118 far 0 97 0 - 6.2-9.0 Violated in 5 structures by 0.18 A. Peak 10279 from cnoeabs.peaks (8.09, 1.01, 22.19 ppm; 4.14 A): 1 out of 4 assignments used, quality = 0.99: H LEU 103 + QG2 VAL 118 OK 99 99 100 100 2.9-4.6 3396/10265=61...(20) H ASN 120 - QG2 VAL 118 far 9 95 10 - 4.9-5.6 H ALA 109 - QG2 VAL 118 far 5 99 5 - 3.8-10.2 H ALA 108 - QG2 VAL 118 far 5 98 5 - 4.4-9.0 Violated in 8 structures by 0.08 A. Peak 10281 from cnoeabs.peaks (7.75, 0.80, 23.00 ppm; 5.48 A): 1 out of 3 assignments used, quality = 1.00: H VAL 118 + QD2 LEU 119 OK 100 100 100 100 2.5-6.1 10255/2.1=89...(17) H GLU 55 - QD2 LEU 119 poor 13 100 35 36 4.2-8.8 9264/11621=31...(3) HD22 ASN 121 - QD2 LEU 119 far 7 65 10 - 4.8-10.4 Violated in 4 structures by 0.04 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 2.6-5.0 10255/2.1=82...(15) HD22 ASN 121 - QD1 LEU 119 far 4 76 5 - 6.0-9.3 H GLU 55 - QD1 LEU 119 lone 2 100 25 9 4.7-8.4 10281/2.1=8 Violated in 0 structures by 0.00 A. Peak 10290 from cnoeabs.peaks (2.82, 1.62, 27.00 ppm; 6.57 A): 7 out of 11 assignments used, quality = 1.00: HB3 ASN 120 + HG LEU 119 OK 82 87 95 100 5.1-7.6 11614/3.7=82...(20) HB3 ASP 71 + HG LEU 70 OK 73 91 80 100 4.1-7.9 3.0/11117=87, ~11115=78...(10) HB2 ASN 120 + HG LEU 119 OK 56 87 65 100 5.3-8.1 3.8/7666=50...(18) HB2 ASN 121 + HG LEU 122 OK 51 51 100 100 3.9-7.3 ~11092=84, 7724/4.6=74...(13) HB3 ASN 85 + HG3 ARG 84 OK 49 64 80 96 5.0-8.0 ~11320=49, 11278=26...(19) HB3 ASN 85 + HG2 ARG 84 OK 40 64 65 97 4.2-8.1 ~11320=49, 11278/1.8=28...(21) HB3 ASN 120 + HG LEU 122 OK 21 54 50 79 6.1-9.9 4.4/10319=28, ~11629=27...(10) HB2 ASN 120 - HG LEU 122 poor 19 54 50 71 6.3-9.8 4.4/10319=28, ~11629=27...(8) HB2 ASN 121 - HG LEU 119 far 4 83 5 - 7.4-10.1 HB3 ASP 71 - HG3 ARG 23 far 0 99 0 - 9.4-30.5 HB3 ASP 64 - HG LEU 70 far 0 77 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 10291 from cnoeabs.peaks (2.83, 1.87, 40.68 ppm; 6.39 A): 3 out of 4 assignments used, quality = 0.95: HB3 ASN 120 + HB3 LEU 119 OK 68 68 100 100 3.9-6.5 3.8/7665=96...(16) HB2 ASN 120 + HB3 LEU 119 OK 68 68 100 100 3.9-6.2 3.8/7665=96, ~11614=71...(17) HB2 ASN 116 + HB3 LEU 119 OK 55 78 70 100 4.1-9.0 10294/3.0=99...(26) HB2 ASN 121 - HB3 LEU 119 far 3 63 5 - 6.1-8.9 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 2.1-6.3 10295/2.1=100...(28) Violated in 4 structures by 0.07 A. Peak 10293 from cnoeabs.peaks (2.82, 0.80, 23.00 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.95: HB3 ASN 120 + QD2 LEU 119 OK 70 78 90 100 2.6-7.4 11614/3790=78...(19) HB2 ASN 116 + QD2 LEU 119 OK 68 68 100 100 2.0-6.3 1.8/10292=100...(29) HB2 ASN 120 + QD2 LEU 119 OK 43 78 55 100 2.9-7.4 3.8/3796=77...(20) HB2 ASN 121 - QD2 LEU 119 far 7 73 10 - 6.3-8.9 HB3 ASP 64 - QD2 LEU 119 far 0 81 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 10294 from cnoeabs.peaks (2.82, 0.94, 25.07 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.76: HB2 ASN 116 + QD1 LEU 119 OK 65 65 100 100 1.7-4.5 1.8/10295=82...(30) HB3 ASN 120 + QD1 LEU 119 OK 30 81 40 94 4.1-6.9 3.8/3804=42...(18) HB2 ASN 120 - QD1 LEU 119 far 4 81 5 - 4.3-7.0 HB2 ASN 121 - QD1 LEU 119 far 0 76 0 - 6.8-9.1 Violated in 2 structures by 0.01 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 1.9-3.9 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; 4.03 A): 1 out of 5 assignments used, quality = 0.38: HB THR 115 + QD1 LEU 119 OK 38 96 40 99 4.4-6.9 3.0/11623=57, ~10195=50...(10) HA ALA 110 - QD1 LEU 119 far 0 100 0 - 5.9-11.0 HA ALA 108 - QD1 LEU 119 far 0 98 0 - 6.4-11.9 HA ALA 109 - QD1 LEU 119 far 0 98 0 - 6.9-10.1 HA GLN 61 - QD1 LEU 119 far 0 100 0 - 8.5-10.6 Violated in 20 structures by 1.37 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 84 99 85 99 4.5-7.8 10355=96, 3974/11626=64 HB3 SER 99 + HB2 ASN 121 OK 67 88 100 76 2.1-4.7 11475/11602=31...(9) HA LEU 122 + HB2 ASN 121 OK 62 64 100 97 3.8-5.3 2.9/7724=72, ~7725=47...(10) HA LEU 96 - HB2 ASN 121 poor 12 84 60 24 4.3-6.5 3855/7724=14...(4) HB3 SER 124 - HB3 ASN 120 far 5 99 5 - 4.4-6.9 HB2 SER 124 - HB2 ASN 121 far 0 64 0 - 5.5-6.7 HA LEU 119 - HB3 ASN 120 far 0 100 0 - 5.6-6.5 HA LEU 119 - HB2 ASN 120 far 0 100 0 - 5.6-6.6 HB3 SER 124 - HB2 ASN 121 far 0 98 0 - 5.7-7.1 HB2 SER 124 - HB2 ASN 120 far 0 65 0 - 5.8-8.5 HB2 SER 124 - HB3 ASN 120 far 0 65 0 - 5.8-7.9 HA LEU 119 - HB2 ASN 121 far 0 100 0 - 5.9-7.4 HA LYS 95 - HB2 ASN 121 far 0 100 0 - 6.4-8.5 HB3 SER 99 - HB3 ASN 120 far 0 89 0 - 7.3-10.3 HB3 SER 99 - HB2 ASN 120 far 0 89 0 - 7.5-9.5 HA LEU 122 - HB2 ASN 120 far 0 65 0 - 7.5-8.2 HA LEU 122 - HB3 ASN 120 far 0 65 0 - 7.6-8.6 HA ALA 92 - HB2 ASN 121 far 0 70 0 - 8.2-11.7 HA LEU 103 - HB2 ASN 121 far 0 99 0 - 8.4-10.3 HA SER 50 - HB3 ASN 120 far 0 68 0 - 8.6-10.9 HA SER 50 - HB2 ASN 120 far 0 68 0 - 9.0-10.7 HA GLU 102 - HB2 ASN 121 far 0 62 0 - 9.1-11.7 HA LEU 96 - HB2 ASN 120 far 0 85 0 - 9.5-10.9 HA LEU 96 - HB3 ASN 120 far 0 85 0 - 9.8-11.4 HA LEU 103 - HB3 ASN 120 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10301 from cnoeabs.peaks (2.36, 2.80, 37.77 ppm; 4.95 A): 2 out of 7 assignments used, quality = 0.87: HB2 PRO 117 + HB3 ASN 120 OK 80 100 80 100 4.7-7.4 10242=100, 1.8/10302=89...(11) HB2 PRO 117 + HB2 ASN 120 OK 35 100 35 100 4.8-7.4 10242/1.8=88, ~10302=68...(12) HB2 PRO 117 - HB2 ASN 121 far 5 100 5 - 5.5-9.1 HG2 GLU 102 - HB2 ASN 121 far 0 99 0 - 6.3-11.7 HG2 GLU 128 - HB2 ASN 121 far 0 96 0 - 8.1-13.3 HG2 GLN 127 - HB2 ASN 120 far 0 98 0 - 8.9-13.0 HG2 GLN 127 - HB3 ASN 120 far 0 98 0 - 9.4-12.9 Violated in 13 structures by 0.22 A. Peak 10302 from cnoeabs.peaks (2.03, 2.80, 37.77 ppm; 4.49 A): 1 out of 15 assignments used, quality = 0.32: HB3 PRO 117 + HB3 ASN 120 OK 32 71 45 99 4.5-7.2 1.8/10301=81...(12) HB3 PRO 117 - HB2 ASN 120 poor 18 71 25 - 4.2-6.9 HG2 PRO 117 - HB2 ASN 121 far 4 82 5 - 5.0-8.4 HB VAL 118 - HB2 ASN 121 far 4 75 5 - 5.0-7.3 HB3 PRO 117 - HB2 ASN 121 far 3 70 5 - 4.0-7.5 HG2 PRO 117 - HB2 ASN 120 far 0 83 0 - 6.1-8.8 HG3 PRO 117 - HB2 ASN 121 far 0 88 0 - 6.3-9.8 HB VAL 118 - HB2 ASN 120 far 0 76 0 - 6.3-8.8 HG2 PRO 117 - HB3 ASN 120 far 0 83 0 - 6.4-8.9 HB VAL 118 - HB3 ASN 120 far 0 76 0 - 6.4-8.5 HG3 PRO 117 - HB2 ASN 120 far 0 89 0 - 6.7-9.4 HG3 PRO 117 - HB3 ASN 120 far 0 89 0 - 6.7-9.4 HB2 GLN 127 - HB2 ASN 120 far 0 76 0 - 9.2-12.3 HB2 LEU 62 - HB3 ASN 120 far 0 76 0 - 9.3-12.3 HB2 GLN 127 - HB2 ASN 121 far 0 75 0 - 9.6-12.0 Violated in 20 structures by 0.91 A. Peak 10303 from cnoeabs.peaks (1.86, 2.80, 37.77 ppm; 4.75 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 119 + HB3 ASN 120 OK 93 99 95 99 3.9-6.5 7665/3.8=68...(16) HB3 LEU 119 + HB2 ASN 120 OK 83 99 85 98 3.9-6.2 7665/3.8=68, ~11614=41...(17) HB3 LEU 123 + HB2 ASN 120 OK 40 100 40 100 4.7-7.0 3927/3.0=71...(28) HB3 LEU 123 + HB3 ASN 120 OK 40 100 40 100 4.8-7.5 3927/3.0=71, ~3813=54...(28) HB3 LEU 119 - HB2 ASN 121 far 0 98 0 - 6.1-8.9 HB3 LEU 123 - HB2 ASN 121 far 0 100 0 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 10305 from cnoeabs.peaks (1.64, 2.80, 37.77 ppm; 4.85 A): 3 out of 11 assignments used, quality = 1.00: HB2 LEU 123 + HB2 ASN 120 OK 94 99 95 100 4.1-6.2 3813/3.0=78...(27) HB2 LEU 123 + HB3 ASN 120 OK 94 99 95 100 4.6-5.8 3813/3.0=78, ~3927=53...(27) HG LEU 119 + HB3 ASN 120 OK 37 83 45 98 5.1-7.6 3.7/11614=49...(21) HG LEU 119 - HB2 ASN 120 far 8 83 10 - 5.3-8.1 HB2 LEU 98 - HB2 ASN 121 far 5 97 5 - 5.2-9.3 HB2 LEU 123 - HB2 ASN 121 far 0 98 0 - 6.5-7.3 HG LEU 119 - HB2 ASN 121 far 0 82 0 - 7.4-10.1 HD2 LYS 95 - HB2 ASN 121 far 0 95 0 - 8.2-10.8 HD3 LYS 95 - HB2 ASN 121 far 0 88 0 - 8.3-11.0 HG LEU 62 - HB3 ASN 120 far 0 99 0 - 9.8-12.3 HG LEU 62 - HB2 ASN 120 far 0 99 0 - 9.9-11.9 Violated in 1 structures by 0.00 A. Peak 10306 from cnoeabs.peaks (0.89, 2.80, 37.77 ppm; 4.24 A): 3 out of 21 assignments used, quality = 0.99: QG1 VAL 118 + HB2 ASN 121 OK 97 97 100 100 3.8-4.6 11602=89, 2.1/11604=76...(35) QD2 LEU 123 + HB2 ASN 120 OK 30 99 30 100 4.1-7.3 11565/3.0=66, ~11631=40...(32) QD2 LEU 123 + HB3 ASN 120 OK 30 99 30 100 4.2-7.7 11565/3.0=66, ~11631=40...(30) QD2 LEU 98 - HB2 ASN 121 far 5 92 5 - 4.8-7.3 QD1 LEU 98 - HB2 ASN 121 far 3 62 5 - 4.3-9.1 QG1 VAL 118 - HB2 ASN 120 far 0 98 0 - 5.7-7.3 QG1 VAL 118 - HB3 ASN 120 far 0 98 0 - 6.1-7.3 QD1 LEU 62 - HB3 ASN 120 far 0 76 0 - 6.3-8.9 QD1 LEU 62 - HB2 ASN 120 far 0 76 0 - 6.3-8.6 QD1 LEU 62 - HB2 ASN 121 far 0 75 0 - 7.0-9.8 QD2 LEU 123 - HB2 ASN 121 far 0 99 0 - 7.6-8.5 QD1 LEU 49 - HB2 ASN 120 far 0 78 0 - 8.1-12.3 QD1 LEU 49 - HB3 ASN 120 far 0 78 0 - 8.4-12.3 QD1 LEU 49 - HB2 ASN 121 far 0 77 0 - 8.4-11.5 QG2 VAL 57 - HB3 ASN 120 far 0 63 0 - 8.6-11.2 QD1 LEU 98 - HB2 ASN 120 far 0 63 0 - 9.0-13.9 QD1 LEU 98 - HB3 ASN 120 far 0 63 0 - 9.3-14.0 QD2 LEU 69 - HB2 ASN 121 far 0 79 0 - 9.3-11.6 QG2 VAL 57 - HB2 ASN 120 far 0 63 0 - 9.3-10.9 QG2 VAL 63 - HB2 ASN 121 far 0 82 0 - 9.4-11.1 QD2 LEU 98 - HB2 ASN 120 far 0 93 0 - 9.5-12.6 Violated in 6 structures by 0.03 A. Peak 10307 from cnoeabs.peaks (0.79, 2.80, 37.77 ppm; 4.90 A): 2 out of 22 assignments used, quality = 0.89: QD2 LEU 122 + HB2 ASN 121 OK 83 100 85 98 3.3-6.5 5.1/7724=54, ~11092=52...(14) QD1 LEU 122 + HB2 ASN 121 OK 37 86 45 97 4.1-6.6 4.3/7724=63...(13) QD1 LEU 53 - HB2 ASN 120 far 15 100 15 - 4.8-7.8 QD2 LEU 119 - HB3 ASN 120 far 14 96 15 - 2.6-7.4 QD2 LEU 119 - HB2 ASN 120 far 10 96 10 - 2.9-7.4 QD1 LEU 53 - HB3 ASN 120 far 5 100 5 - 5.1-7.5 QD1 LEU 103 - HB2 ASN 121 far 5 98 5 - 5.8-9.3 QD1 LEU 96 - HB2 ASN 121 far 4 88 5 - 5.8-7.9 QD1 LEU 122 - HB3 ASN 120 far 4 87 5 - 5.4-9.2 QD1 LEU 122 - HB2 ASN 120 far 4 87 5 - 5.5-8.9 QD1 LEU 103 - HB3 ASN 120 far 0 99 0 - 6.1-10.5 QD2 LEU 122 - HB3 ASN 120 far 0 100 0 - 6.1-8.8 QD1 LEU 53 - HB2 ASN 121 far 0 99 0 - 6.3-9.8 QD2 LEU 119 - HB2 ASN 121 far 0 95 0 - 6.3-8.9 QD2 LEU 122 - HB2 ASN 120 far 0 100 0 - 6.6-8.8 QD1 LEU 103 - HB2 ASN 120 far 0 99 0 - 6.9-11.2 QD2 LEU 49 - HB2 ASN 121 far 0 98 0 - 7.2-10.0 QD2 LEU 49 - HB3 ASN 120 far 0 99 0 - 8.4-11.4 QD2 LEU 49 - HB2 ASN 120 far 0 99 0 - 8.4-11.4 QD1 LEU 96 - HB2 ASN 120 far 0 89 0 - 8.9-10.7 QD1 LEU 70 - HB2 ASN 121 far 0 56 0 - 9.2-12.4 QD1 LEU 96 - HB3 ASN 120 far 0 89 0 - 9.2-11.0 Violated in 5 structures by 0.10 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 123 - HA ASN 121 far 3 59 5 - 5.4-7.0 HB3 LEU 122 - HA ASN 121 far 0 95 0 - 5.5-6.0 HB3 LEU 98 - HA ASN 121 far 0 78 0 - 7.4-11.0 HB2 LEU 100 - HA ASN 121 far 0 92 0 - 8.5-11.9 HB3 LEU 103 - HA ASN 121 far 0 93 0 - 9.7-12.2 Violated in 20 structures by 0.61 A. Peak 10324 from cnoeabs.peaks (0.90, 4.49, 56.15 ppm; 4.93 A): 1 out of 6 assignments used, quality = 0.80: QG1 VAL 118 + HA ASN 121 OK 80 100 80 100 5.3-6.0 11602/3.0=76...(34) QD2 LEU 123 - HA ASN 121 far 5 95 5 - 5.8-7.3 QD2 LEU 98 - HA ASN 121 far 0 81 0 - 6.5-9.3 QD1 LEU 49 - HA ASN 121 far 0 92 0 - 7.6-11.3 QD1 LEU 62 - HA ASN 121 far 0 90 0 - 7.8-9.7 QD2 LEU 69 - HA ASN 121 far 0 63 0 - 9.4-12.0 Violated in 20 structures by 0.74 A. Peak 10325 from cnoeabs.peaks (2.07, 2.98, 37.82 ppm; 4.92 A): 2 out of 6 assignments used, quality = 0.98: HB VAL 118 + HB3 ASN 121 OK 97 97 100 100 4.6-5.6 3.0/3735=83...(29) HG2 PRO 117 + HB3 ASN 121 OK 40 95 50 85 5.2-7.2 3729/3735=33, ~7958=17...(13) HB2 GLU 102 - HB3 ASN 121 far 0 92 0 - 6.2-9.0 HG3 PRO 117 - HB3 ASN 121 far 0 90 0 - 6.6-8.7 HB2 LEU 62 - HB3 ASN 121 far 0 97 0 - 9.0-10.4 HB2 GLU 128 - HB3 ASN 121 far 0 93 0 - 10.0-12.7 Violated in 3 structures by 0.03 A. Peak 10327 from cnoeabs.peaks (0.98, 2.98, 37.82 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.88: QG2 VAL 118 + HB3 ASN 121 OK 57 57 100 100 3.7-4.7 3.2/3735=100...(30) QD2 LEU 53 + HB3 ASN 121 OK 52 95 80 68 5.4-9.5 11749/7725=39...(7) QG2 VAL 126 + HB3 ASN 121 OK 42 90 80 58 6.2-8.1 11749/7725=42...(3) QG1 VAL 126 - HB3 ASN 121 far 0 76 0 - 8.5-10.0 QG2 VAL 105 - HB3 ASN 121 far 0 73 0 - 8.9-10.4 QD1 LEU 69 - HB3 ASN 121 far 0 60 0 - 10.0-13.5 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 13 assignments used, quality = 0.97: HB3 LEU 100 + QD2 LEU 122 OK 87 97 90 100 3.3-6.4 3.0/11489=28...(52) HB2 LEU 96 + QD2 LEU 122 OK 59 98 65 92 2.0-6.5 3.0/3901=17, 3067/3.9=17...(48) HG LEU 96 + QD2 LEU 122 OK 45 99 55 82 3.7-6.7 3.7/3901=14, 3084/3.9=14...(26) QB ALA 108 - QD2 LEU 122 far 0 100 0 - 5.6-13.2 HB2 LEU 96 - QD1 LEU 53 far 0 89 0 - 6.0-10.3 QB ALA 109 - QD2 LEU 122 far 0 100 0 - 6.4-12.2 HG3 LYS 95 - QD2 LEU 122 far 0 100 0 - 6.8-10.1 HG2 LYS 95 - QD2 LEU 122 far 0 100 0 - 7.3-10.2 HG LEU 96 - QD1 LEU 53 far 0 90 0 - 7.4-12.6 HB3 LEU 100 - QD1 LEU 53 far 0 88 0 - 7.5-12.3 QB ALA 110 - QD2 LEU 122 far 0 99 0 - 8.1-14.2 QB ALA 109 - QD1 LEU 53 far 0 93 0 - 8.7-15.3 QB ALA 108 - QD1 LEU 53 far 0 92 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 10338 from cnoeabs.peaks (0.66, 0.97, 25.20 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.72: QD2 LEU 62 + QD2 LEU 53 OK 72 96 85 88 1.7-6.0 10038/1679=44...(10) QD2 LEU 100 - QD2 LEU 53 lone 1 92 25 4 3.8-9.9 11387/1683=1, 11387/1676=1 QD1 ILE 129 - QD2 LEU 53 far 0 76 0 - 7.5-11.1 Violated in 4 structures by 0.29 A. Peak 10347 from cnoeabs.peaks (0.67, 0.93, 23.65 ppm; 3.85 A): 0 out of 9 assignments used, quality = 0.00: QD2 LEU 62 - QD1 LEU 49 poor 20 49 40 - 2.4-5.7 QD2 LEU 62 - QD2 LEU 48 poor 8 39 20 - 4.3-6.2 QD2 LEU 100 - QD1 LEU 49 far 5 46 10 - 3.9-6.9 QD1 ILE 129 - QD1 LEU 49 far 0 31 0 - 5.3-7.9 QD2 LEU 62 - QD1 LEU 123 far 0 97 0 - 5.4-7.0 QD1 ILE 129 - QD1 LEU 123 far 0 71 0 - 6.4-7.8 QD2 LEU 100 - QD1 LEU 123 far 0 95 0 - 6.9-9.7 QD2 LEU 100 - QD2 LEU 48 far 0 37 0 - 7.2-9.2 QD1 ILE 129 - QD2 LEU 48 far 0 24 0 - 9.7-11.9 Violated in 15 structures by 0.19 A. Peak 10348 from cnoeabs.peaks (0.68, 0.88, 25.36 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.37: QD2 LEU 62 + QD2 LEU 123 OK 37 100 75 50 3.6-5.9 10038/11846=17...(6) QD2 LEU 100 - QD2 LEU 123 far 0 100 0 - 6.3-9.2 QD1 LEU 43 - QD2 LEU 123 far 0 83 0 - 9.5-12.6 Violated in 11 structures by 0.40 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 1.8-4.2 11772/2.1=88...(25) HB3 SER 124 - QD2 LEU 123 poor 19 63 35 88 4.3-6.1 4.0/7766=43...(12) HA LEU 119 - QD2 LEU 123 far 4 73 5 - 4.5-6.5 HB2 SER 124 - QD2 LEU 123 far 0 99 0 - 5.7-6.9 HB3 SER 51 - QD2 LEU 123 far 0 83 0 - 6.0-8.4 HB3 SER 99 - QD2 LEU 123 far 0 100 0 - 7.9-10.3 Violated in 2 structures by 0.01 A. Peak 10350 from cnoeabs.peaks (4.31, 0.74, 25.24 ppm; 5.70 A): 1 out of 3 assignments used, quality = 0.81: HA ASN 59 + QD2 LEU 103 OK 81 81 100 100 2.1-5.1 11837/2.1=98...(26) HA ALA 110 - QD2 LEU 103 far 0 60 0 - 6.8-11.5 HA LEU 69 - QD2 LEU 103 far 0 87 0 - 9.9-13.5 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 4 assignments used, quality = 0.49: H GLY 66 + QD1 LEU 49 OK 49 53 95 98 3.5-6.7 9434/2.1=47, ~9208=36...(15) H GLY 66 - QD2 LEU 48 poor 11 43 25 - 6.0-8.1 H GLY 66 - QD1 LEU 123 far 0 100 0 - 9.0-11.1 H ASN 59 - QD1 LEU 49 far 0 50 0 - 9.5-12.6 Violated in 3 structures by 0.10 A. Peak 10355 from cnoeabs.peaks (2.78, 4.03, 62.56 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.62: HB2 ASN 120 + HB3 SER 124 OK 62 78 85 93 4.5-7.8 10300=66, 11626/3974=60 HB2 ASN 121 - HB3 SER 124 far 12 83 15 - 5.7-7.1 HB3 ASN 120 - HB3 SER 124 far 12 78 15 - 4.4-6.9 Violated in 4 structures by 0.30 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 5.4-5.6 1.8/11573=79, ~7763=71...(19) HB VAL 93 + HA SER 94 OK 86 86 100 100 4.2-4.6 2.1/9963=98, 2.1/9956=93...(16) HB2 LEU 100 - HA SER 94 far 0 75 0 - 7.5-10.1 HB3 LEU 119 - HA SER 124 far 0 60 0 - 9.7-11.3 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: HB2 LEU 122 - HB3 SER 124 far 0 100 0 - 6.9-8.8 HG LEU 122 - HB3 SER 124 far 0 99 0 - 7.0-10.0 Violated in 20 structures by 1.50 A. Peak 10372 from cnoeabs.peaks (0.92, 4.03, 62.56 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.89: QD1 LEU 123 + HB3 SER 124 OK 89 100 100 89 3.1-4.5 7767/7770=50, ~11573=25...(16) QD1 LEU 49 - HB3 SER 124 far 0 97 0 - 6.7-10.6 QG1 VAL 118 - HB3 SER 124 far 0 76 0 - 7.6-9.2 QD1 LEU 62 - HB3 SER 124 far 0 98 0 - 8.6-11.9 QD1 LEU 119 - HB3 SER 124 far 0 85 0 - 9.0-10.6 Violated in 11 structures by 0.13 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 5 93 5 - 5.3-7.9 QD1 LEU 122 - HB3 SER 124 far 0 65 0 - 6.1-9.0 QD2 LEU 122 - HB3 SER 124 far 0 99 0 - 6.5-8.3 QD1 LEU 96 - HB3 SER 124 far 0 99 0 - 7.4-8.9 QD2 LEU 119 - HB3 SER 124 far 0 81 0 - 7.5-10.4 QD2 LEU 49 - HB3 SER 124 far 0 89 0 - 7.6-10.5 QD1 LEU 103 - HB3 SER 124 far 0 100 0 - 9.2-13.0 Violated in 20 structures by 1.05 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 2.4-3.8 10444/3986=63...(22) HG LEU 96 - HA CYS 125 far 0 78 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 10378 from cnoeabs.peaks (0.79, 4.35, 62.64 ppm; 5.09 A): 2 out of 5 assignments used, quality = 0.85: QD1 LEU 96 + HA CYS 125 OK 77 90 85 100 5.5-6.1 9987/3.0=73, 9986/3.0=72...(25) QD2 LEU 122 + HA CYS 125 OK 35 100 35 100 5.0-8.3 11828/3.0=71, ~9498=46...(20) QD1 LEU 122 - HA CYS 125 far 0 85 0 - 6.2-8.3 QD2 LEU 49 - HA CYS 125 far 0 98 0 - 7.0-9.3 QD1 LEU 53 - HA CYS 125 far 0 99 0 - 7.2-9.3 Violated in 17 structures by 0.35 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 3.3-4.2 10383/3.0=92...(23) QD1 LEU 42 - HA CYS 125 far 0 97 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10380 from cnoeabs.peaks (1.41, 2.74, 27.12 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 96 + HB2 CYS 125 OK 93 93 100 100 4.5-5.2 2.1/9986=89...(25) QB ALA 92 + HB2 CYS 125 OK 87 87 100 100 3.1-5.1 11396=80, 10376/3.0=70...(16) HG2 LYS 95 - HB2 CYS 125 far 7 73 10 - 4.9-7.3 HG3 LYS 95 - HB2 CYS 125 far 7 68 10 - 5.3-7.6 Violated in 0 structures by 0.00 A. Peak 10381 from cnoeabs.peaks (0.96, 2.74, 27.12 ppm; 5.26 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.5-4.2 11684=100, 11683/1.8=96...(21) QG1 VAL 126 + HB2 CYS 125 OK 100 100 100 100 5.5-6.0 2.1/11684=91, ~10386=74...(16) QD2 LEU 53 - HB2 CYS 125 far 0 100 0 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 10382 from cnoeabs.peaks (0.75, 2.74, 27.12 ppm; 4.05 A): 3 out of 6 assignments used, quality = 1.00: QD2 LEU 96 + HB2 CYS 125 OK 100 100 100 100 3.3-4.3 2.1/9986=72, 9989/1.8=59...(29) QD1 LEU 96 + HB2 CYS 125 OK 83 83 100 100 3.3-4.3 9986=74, 9987/1.8=59...(25) HG12 ILE 129 + HB2 CYS 125 OK 54 100 55 98 4.2-7.1 2.1/10383=61, ~10388=42...(15) QG1 VAL 93 - HB2 CYS 125 far 0 100 0 - 5.8-7.1 QD2 LEU 103 - HB2 CYS 125 far 0 97 0 - 8.1-11.4 QD2 LEU 43 - HB2 CYS 125 far 0 100 0 - 9.7-11.2 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 2.6-5.0 10388/1.8=93...(19) QD1 LEU 42 - HB2 CYS 125 far 0 100 0 - 9.2-10.9 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 4.9-6.4 3986/3.0=86, ~11698=66...(15) HB2 GLN 127 - HB3 CYS 125 poor 20 99 20 - 6.3-8.1 HB3 GLU 91 - HB3 CYS 125 far 0 57 0 - 8.8-12.2 HB VAL 118 - HB3 CYS 125 far 0 99 0 - 9.0-12.2 HB2 GLU 102 - HB3 CYS 125 far 0 85 0 - 9.7-13.0 Violated in 1 structures by 0.01 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 2.0-4.1 3.2/9987=73...(34) HG LEU 96 + HB3 CYS 125 OK 75 100 75 100 4.5-5.6 2.1/9987=86, 11827=74...(25) HG2 LYS 95 - HB3 CYS 125 far 0 99 0 - 6.3-7.9 HB3 LEU 100 - HB3 CYS 125 far 0 92 0 - 6.5-10.2 HG3 LYS 95 - HB3 CYS 125 far 0 98 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 10386 from cnoeabs.peaks (0.94, 3.21, 27.12 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.93: 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 OK 65 93 70 100 5.4-5.8 2.1/11683=84, ~10381=61...(15) QD1 LEU 49 - HB3 CYS 125 far 0 57 0 - 5.7-8.2 QD1 LEU 123 - HB3 CYS 125 far 0 92 0 - 6.0-7.0 QD2 LEU 53 - HB3 CYS 125 far 0 73 0 - 6.3-10.1 QD1 LEU 62 - HB3 CYS 125 far 0 60 0 - 8.4-11.4 QD1 LEU 119 - HB3 CYS 125 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10387 from cnoeabs.peaks (0.77, 3.21, 27.12 ppm; 3.92 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 125 OK 100 100 100 100 3.3-4.1 9987=97, 9986/1.8=72...(25) QD2 LEU 96 + HB3 CYS 125 OK 67 71 95 100 3.4-5.0 2.1/9987=69, ~9986=47...(26) QD2 LEU 122 + HB3 CYS 125 OK 60 95 65 98 2.5-6.9 3.1/11656=50...(20) HG12 ILE 129 - HB3 CYS 125 far 7 73 10 - 4.2-7.7 QD2 LEU 49 - HB3 CYS 125 far 0 76 0 - 5.2-8.0 QD1 LEU 53 - HB3 CYS 125 far 0 83 0 - 5.4-8.9 QG1 VAL 93 - HB3 CYS 125 far 0 73 0 - 5.7-7.8 QD1 LEU 103 - HB3 CYS 125 far 0 99 0 - 8.1-11.7 QD2 LEU 119 - HB3 CYS 125 far 0 65 0 - 8.5-11.9 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 = 0.94: QD1 ILE 129 + HB3 CYS 125 OK 89 89 100 100 3.0-5.0 10383/1.8=95...(17) QD1 LEU 100 + HB3 CYS 125 OK 51 78 70 92 5.6-8.3 11918/11827=69...(10) QD1 LEU 42 - HB3 CYS 125 far 0 97 0 - 8.7-11.1 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 4.7-4.8 5.0=100 HA ILE 129 + HA CYS 125 OK 41 68 60 100 6.3-7.4 4.2/10379=69...(13) Violated in 0 structures by 0.00 A. Peak 10393 from cnoeabs.peaks (3.85, 0.96, 22.68 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.58: HA LEU 123 + QG1 VAL 126 OK 58 99 65 91 3.7-5.0 4008/2.1=50...(12) HB2 SER 50 - QG1 VAL 126 far 9 87 10 - 3.1-6.0 HA LEU 70 - QG1 VAL 126 far 0 68 0 - 6.1-7.3 HA LEU 62 - QG1 VAL 126 far 0 97 0 - 7.2-8.3 HA GLU 40 - QG1 VAL 126 far 0 93 0 - 9.4-11.1 Violated in 20 structures by 0.78 A. Peak 10394 from cnoeabs.peaks (3.98, 0.96, 22.68 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.90: HA GLN 127 + QG1 VAL 126 OK 90 90 100 99 2.8-3.6 2.9/4020=51...(21) HA SER 50 - QG1 VAL 126 far 10 97 10 - 4.1-6.4 HA THR 65 - QG1 VAL 126 far 0 92 0 - 6.3-7.7 HB2 SER 124 - QG1 VAL 126 far 0 97 0 - 7.6-8.0 HA LEU 100 - QG1 VAL 126 far 0 73 0 - 7.6-9.7 HB3 SER 51 - QG1 VAL 126 far 0 100 0 - 7.7-9.6 HA GLN 68 - QG1 VAL 126 far 0 99 0 - 7.7-9.2 HB3 SER 99 - QG1 VAL 126 far 0 83 0 - 8.2-9.9 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 4 assignments used, quality = 1.00: HA CYS 125 + QG1 VAL 126 OK 100 100 100 100 6.1-6.2 ~11603=71, ~10386=68...(23) HA ASP 47 + QG1 VAL 126 OK 98 99 100 100 4.1-5.2 3.0/11686=76...(8) HA LEU 69 + QG1 VAL 126 OK 50 83 100 60 4.9-6.4 11688/2.1=23...(4) HA GLN 134 - QG1 VAL 126 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10396 from cnoeabs.peaks (3.87, 0.96, 23.84 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.92: HA LEU 123 + QG2 VAL 126 OK 72 76 100 95 2.9-4.3 10393/2.1=71...(10) HA ALA 46 + QG2 VAL 126 OK 71 71 100 100 3.6-4.4 2.1/11616=68, ~9175=51...(18) HA LEU 70 - QG2 VAL 126 far 0 97 0 - 4.8-6.9 HB3 SER 50 - QG2 VAL 126 far 0 87 0 - 6.2-8.6 HA LEU 62 - QG2 VAL 126 far 0 71 0 - 6.4-7.5 Violated in 1 structures by 0.00 A. Peak 10397 from cnoeabs.peaks (4.01, 0.96, 23.84 ppm; 4.35 A): 1 out of 9 assignments used, quality = 0.51: HA LEU 96 + QG2 VAL 126 OK 51 63 100 81 3.8-4.5 3994/11683=24...(16) HA SER 50 - QG2 VAL 126 far 0 89 0 - 5.3-7.7 HB3 SER 99 - QG2 VAL 126 far 0 99 0 - 5.7-7.4 HA LEU 119 - QG2 VAL 126 far 0 96 0 - 6.0-7.6 HB2 SER 124 - QG2 VAL 126 far 0 87 0 - 6.4-7.3 HB3 SER 124 - QG2 VAL 126 far 0 90 0 - 6.9-7.6 HA GLN 68 - QG2 VAL 126 far 0 83 0 - 7.4-8.6 HA LYS 95 - QG2 VAL 126 far 0 99 0 - 7.6-8.2 HA LEU 103 - QG2 VAL 126 far 0 100 0 - 9.5-11.2 Violated in 4 structures by 0.02 A. Peak 10401 from cnoeabs.peaks (0.80, 3.43, 67.09 ppm; 4.09 A): 4 out of 8 assignments used, quality = 0.97: QG2 ILE 129 + HA VAL 126 OK 71 71 100 100 3.9-4.8 2.1/4007=67...(27) QD1 LEU 96 + HA VAL 126 OK 70 71 100 99 3.2-4.1 2.1/11807=54, 11452=37...(23) QD2 LEU 49 + HA VAL 126 OK 54 100 55 98 4.2-6.9 11676/3.2=67...(14) QD2 LEU 122 + HA VAL 126 OK 22 97 25 89 3.9-7.9 1676/3.2=21, ~10405=19...(27) QD1 LEU 122 - HA VAL 126 far 10 97 10 - 4.8-7.4 QD1 LEU 53 - HA VAL 126 far 0 100 0 - 5.5-9.7 QD1 LEU 70 - HA VAL 126 far 0 78 0 - 6.9-8.7 QD1 LEU 103 - HA VAL 126 far 0 92 0 - 9.9-12.2 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 2.0-3.2 11639=87, 10489/3.2=63...(26) QD1 LEU 42 - HA VAL 126 far 0 90 0 - 6.6-7.7 QD2 LEU 100 - HA VAL 126 far 0 60 0 - 7.3-9.2 QD2 LEU 62 - HA VAL 126 far 0 68 0 - 8.9-10.0 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 3.8-4.5 10409/3.2=99...(16) HB2 LEU 96 + HA VAL 126 OK 63 63 100 100 3.4-4.7 3.2/11452=89...(30) HB3 LEU 100 - HA VAL 126 far 0 65 0 - 8.0-10.9 HB2 LEU 42 - HA VAL 126 far 0 68 0 - 9.2-10.0 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 4.4-5.1 10491/10402=100...(15) HG LEU 96 + HA VAL 126 OK 71 71 100 100 5.1-5.7 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 1.9-5.0 2.1/10402=100...(27) HG LEU 100 - HA VAL 126 poor 15 73 20 - 7.0-8.7 HB2 LEU 48 - HA VAL 126 far 0 63 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (0.79, 2.10, 31.38 ppm; 4.08 A): 5 out of 8 assignments used, quality = 1.00: QD2 LEU 49 + HB VAL 126 OK 96 98 100 98 2.2-4.7 11676/2.1=69, ~11682=47...(12) QD1 LEU 96 + HB VAL 126 OK 86 90 100 95 3.9-4.4 11452/3.0=42, 11453=40...(15) QD1 LEU 122 + HB VAL 126 OK 47 85 65 86 2.7-6.3 11681/2.1=23, ~11677=17...(19) QD1 LEU 53 + HB VAL 126 OK 40 99 60 67 3.1-7.6 9218/11668=41...(10) QD2 LEU 122 + HB VAL 126 OK 28 100 35 80 2.3-6.8 1676/2.1=24, ~11677=17...(14) QD1 LEU 103 - HB VAL 126 far 0 99 0 - 8.1-10.7 QD2 LEU 119 - HB VAL 126 far 0 95 0 - 8.7-10.1 QG1 VAL 63 - HB VAL 126 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (1.34, 0.96, 22.68 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + QG1 VAL 126 OK 100 100 100 100 1.8-2.5 9175=95, 11616/2.1=45...(22) Violated in 0 structures by 0.00 A. Peak 10410 from cnoeabs.peaks (0.66, 0.96, 22.68 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.76: QD1 ILE 129 + QG1 VAL 126 OK 76 76 100 100 3.2-4.6 11619/2.1=72...(31) QD2 LEU 100 - QG1 VAL 126 far 0 92 0 - 5.5-7.4 QD2 LEU 62 - QG1 VAL 126 far 0 96 0 - 5.9-7.1 Violated in 14 structures by 0.13 A. Peak 10435 from cnoeabs.peaks (0.91, 2.35, 33.92 ppm; 4.13 A): 1 out of 14 assignments used, quality = 0.95: QD1 LEU 123 + HG2 GLN 127 OK 95 95 100 100 1.9-3.7 11638=91, 10437/1.8=88...(19) QD1 LEU 49 - HG2 GLN 127 lone 2 100 25 10 3.1-7.3 9209/11609=4...(3) QD1 LEU 22 - HG2 GLN 27 far 0 64 0 - 5.5-15.6 QD1 LEU 22 - HG3 GLN 27 far 0 63 0 - 6.0-16.6 QG2 VAL 20 - HG3 GLN 27 far 0 57 0 - 6.1-14.8 QG2 VAL 20 - HG2 GLN 27 far 0 58 0 - 6.7-14.2 QG1 VAL 20 - HG3 GLN 27 far 0 81 0 - 7.1-15.0 QD1 LEU 48 - HG2 GLN 127 far 0 98 0 - 7.9-11.1 QG1 VAL 20 - HG2 GLN 27 far 0 83 0 - 8.0-14.2 QD1 LEU 48 - HG2 GLN 27 far 0 81 0 - 8.3-26.5 QD1 LEU 62 - HG2 GLN 127 far 0 100 0 - 8.4-11.8 QD2 LEU 48 - HG2 GLN 127 far 0 99 0 - 8.6-10.1 QD1 LEU 48 - HG3 GLN 27 far 0 80 0 - 9.0-27.0 QG1 VAL 118 - HG2 GLN 127 far 0 92 0 - 9.8-12.3 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 16 assignments used, quality = 0.97: QD1 LEU 123 + HB2 GLN 127 OK 97 97 100 100 2.6-4.6 10437/3.0=73...(16) QD1 LEU 49 - HB2 GLN 127 far 10 100 10 - 4.7-8.6 QG2 VAL 112 - HG3 PRO 113 far 0 65 0 - 5.2-5.6 QD1 LEU 119 - HG3 PRO 113 far 0 41 0 - 5.8-7.9 QD1 LEU 62 - HG3 PRO 58 far 0 76 0 - 6.1-8.2 QD1 LEU 22 - HG3 PRO 58 far 0 53 0 - 6.9-41.9 QG2 VAL 63 - HG3 PRO 58 far 0 75 0 - 7.4-8.5 QD1 LEU 62 - HG3 PRO 113 far 0 67 0 - 7.5-10.7 QG2 VAL 112 - HG3 PRO 58 far 0 74 0 - 7.6-12.5 QD1 LEU 119 - HG3 PRO 58 far 0 47 0 - 8.0-10.5 QD2 LEU 48 - HG3 PRO 58 far 0 74 0 - 8.7-10.4 QD1 LEU 48 - HG3 PRO 58 far 0 74 0 - 9.4-11.7 QD1 LEU 62 - HB2 GLN 127 far 0 100 0 - 9.4-13.7 QD1 LEU 49 - HG3 PRO 58 far 0 76 0 - 9.8-13.2 QG1 VAL 118 - HG3 PRO 113 far 0 54 0 - 9.8-13.2 QD1 LEU 48 - HB2 GLN 127 far 0 99 0 - 9.8-13.2 Violated in 2 structures by 0.02 A. Peak 10437 from cnoeabs.peaks (0.92, 2.49, 33.92 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.99: QD1 LEU 123 + HG3 GLN 127 OK 99 99 100 100 1.8-3.4 11578=97, 11579/1.8=80...(19) QD1 LEU 49 - HG3 GLN 127 lone 2 99 25 9 2.8-8.0 3914/11673=3...(3) QD1 LEU 48 - HG3 GLN 127 far 0 100 0 - 8.1-11.5 QD2 LEU 48 - HG3 GLN 127 far 0 97 0 - 8.3-10.3 QD1 LEU 62 - HG3 GLN 127 far 0 99 0 - 8.4-12.5 QG1 VAL 118 - HG3 GLN 127 far 0 83 0 - 9.6-11.8 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 3.6-4.9 11627/4111=81...(13) QG1 VAL 132 - HA GLU 128 far 0 100 0 - 6.1-7.5 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 - 6.5-9.1 QD2 LEU 49 - HA GLU 128 far 0 57 0 - 8.4-11.0 QD1 LEU 122 - HA GLU 128 far 0 83 0 - 9.1-12.0 Violated in 20 structures by 1.60 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 1.9-3.9 10446/3.0=76...(16) HG3 LYS 24 - HB2 GLN 61 far 0 51 0 - 6.7-42.6 HG2 LYS 86 - HB3 GLN 82 far 0 50 0 - 7.0-8.5 HG2 LYS 26 - HB3 GLU 44 far 0 98 0 - 9.7-32.9 HG3 LYS 24 - HB3 GLU 44 far 0 86 0 - 9.8-33.1 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 13 assignments used, quality = 0.97: QB ALA 92 + HB3 GLU 128 OK 93 93 100 100 1.9-4.2 10444/1.8=89...(14) HG LEU 96 + HB3 GLU 97 OK 59 59 100 100 3.3-4.9 11461/1.8=86, ~11809=53...(38) HG13 ILE 32 - HB2 GLN 68 far 0 64 0 - 6.7-20.1 QB ALA 109 - HB3 GLU 102 far 0 56 0 - 7.0-11.0 HG2 LYS 95 - HB3 GLU 128 far 0 63 0 - 7.8-10.3 QB ALA 92 - HB3 GLU 97 far 0 65 0 - 8.3-9.3 HG2 LYS 95 - HB3 GLU 97 far 0 40 0 - 8.4-10.4 HG2 LYS 26 - HB2 GLN 68 far 0 77 0 - 8.6-30.3 HG LEU 96 - HB3 GLU 128 far 0 87 0 - 8.8-11.1 HG LEU 96 - HB2 GLN 68 far 0 75 0 - 9.2-11.9 QB ALA 16 - HB3 GLU 97 far 0 69 0 - 9.3-33.8 QB ALA 34 - HB2 GLN 68 far 0 91 0 - 9.5-13.4 HG LEU 96 - HB3 GLU 102 far 0 77 0 - 9.8-13.0 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 1.9-3.2 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 1.9-4.0 10446/1.8=73, 9949=50...(16) Violated in 3 structures by 0.04 A. Peak 10448 from cnoeabs.peaks (2.81, 2.22, 28.41 ppm; 6.80 A): 1 out of 7 assignments used, quality = 0.92: HB3 ASP 71 + HB2 GLN 68 OK 92 92 100 100 4.3-7.3 2129/3.0=100, ~2128=91...(16) HB3 ASP 64 - HB2 GLN 68 poor 11 87 50 26 5.9-9.1 11050/3.0=13, 9429/2065=12 HB2 ASN 121 - HB3 GLU 102 far 8 85 10 - 6.2-10.3 HB3 ASP 71 - HB3 GLU 97 far 0 75 0 - 8.5-12.2 HB3 ASN 85 - HB3 GLU 128 far 0 97 0 - 9.3-12.6 HB2 ASN 121 - HB3 GLU 97 far 0 66 0 - 9.6-12.0 HB2 ASN 121 - HB3 GLU 128 far 0 95 0 - 9.8-12.9 Violated in 2 structures by 0.03 A. Peak 10449 from cnoeabs.peaks (2.87, 2.42, 34.22 ppm; 5.62 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 131 + HG3 GLU 128 OK 100 100 100 100 3.8-5.4 1.8/10450=93...(14) HE3 LYS 95 - HG3 GLU 128 far 5 95 5 - 6.3-11.1 HE2 LYS 95 - HG3 GLU 128 far 0 95 0 - 6.6-11.4 Violated in 0 structures by 0.00 A. Peak 10450 from cnoeabs.peaks (2.77, 2.42, 34.22 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.85: HB2 ASP 131 + HG3 GLU 128 OK 85 100 85 100 4.2-6.7 1.8/10449=93...(12) HB2 CYS 73 - HG3 GLU 128 far 0 85 0 - 8.1-12.3 Violated in 15 structures by 0.49 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 3.5-6.1 2.9/4109=87...(24) Violated in 1 structures by 0.03 A. Peak 10453 from cnoeabs.peaks (8.27, 0.64, 14.39 ppm; 4.08 A): 2 out of 7 assignments used, quality = 1.00: H LEU 96 + QD1 ILE 129 OK 100 100 100 100 3.8-4.3 9982=75, 7311/10461=49...(18) H VAL 126 + QD1 ILE 129 OK 85 85 100 100 3.6-4.7 2.9/11639=69...(32) H ASP 131 - QD1 ILE 129 far 0 100 0 - 5.1-6.0 H LEU 69 - QD1 ILE 129 far 0 65 0 - 6.5-9.0 H LEU 123 - QD1 ILE 129 far 0 96 0 - 7.3-8.7 H SER 99 - QD1 ILE 129 far 0 83 0 - 7.7-8.5 H LEU 43 - QD1 ILE 129 far 0 90 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 10454 from cnoeabs.peaks (8.46, 0.64, 14.39 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.88: H VAL 93 + QD1 ILE 129 OK 71 71 100 100 2.5-3.2 2.9/10461=78...(17) H VAL 132 + QD1 ILE 129 OK 60 95 65 98 5.0-6.1 4.0/10490=58...(14) H LEU 70 - QD1 ILE 129 far 0 99 0 - 5.4-8.0 H ASP 47 - QD1 ILE 129 far 0 100 0 - 7.8-9.4 H LEU 100 - QD1 ILE 129 far 0 63 0 - 7.8-8.9 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 3.7-4.3 3.0/10491=98...(27) H ALA 88 - QD1 ILE 129 far 0 89 0 - 7.1-8.8 H GLN 68 - QD1 ILE 129 far 0 76 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 10456 from cnoeabs.peaks (7.40, 0.64, 14.39 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 89 + QD1 ILE 129 OK 100 100 100 100 4.0-5.2 10457/4163=93...(19) HE22 GLN 101 - QD1 ILE 129 far 0 83 0 - 9.5-12.9 Violated in 1 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 = 0.99: QE PHE 89 + QG2 ILE 129 OK 99 100 100 99 1.9-2.8 11891/10486=48...(28) QE PHE 89 - QG2 ILE 80 far 0 69 0 - 5.2-6.4 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...(22) 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 3.1-4.6 10554/10566=69...(24) HE ARG 135 - HA ILE 129 far 0 90 0 - 8.2-11.5 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 1.9-2.4 9966=91, 3.2/10487=65...(38) HD3 ARG 135 - QD1 ILE 129 far 0 83 0 - 7.8-11.0 HB3 PHE 87 - QD1 ILE 129 far 0 83 0 - 8.9-10.3 HB2 PHE 87 - QD1 ILE 129 far 0 73 0 - 9.2-10.8 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 = 0.86: HG CYS 73 + QD1 ILE 129 OK 86 96 90 100 3.8-6.8 9958/10487=76...(15) HB2 CYS 45 - QD1 ILE 129 far 0 87 0 - 7.5-9.5 HD2 ARG 135 - QD1 ILE 129 far 0 93 0 - 8.0-10.7 HE2 LYS 39 - QD1 ILE 129 far 0 99 0 - 9.4-12.7 Violated in 4 structures by 0.13 A. Peak 10463 from cnoeabs.peaks (2.75, 0.64, 14.39 ppm; 4.83 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 73 + QD1 ILE 129 OK 99 100 100 99 3.7-5.3 9959/10487=80...(16) HB2 CYS 125 + QD1 ILE 129 OK 98 98 100 100 2.6-5.0 10383=97, 1.8/10388=85...(19) HB2 ASP 131 - QD1 ILE 129 far 0 65 0 - 6.1-7.8 HB2 TYR 76 - QD1 ILE 129 far 0 93 0 - 7.0-9.4 HB2 ASP 47 - QD1 ILE 129 far 0 60 0 - 9.9-11.8 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 = 0.99: HA PHE 89 + QD1 ILE 129 OK 89 89 100 100 3.3-5.1 2897/10491=68...(22) HA ALA 92 + QD1 ILE 129 OK 81 81 100 100 3.6-4.0 2.1/10491=96...(32) HA LEU 96 + QD1 ILE 129 OK 52 65 80 100 4.7-5.4 2.9/9982=63...(22) HA LEU 122 - QD1 ILE 129 far 0 85 0 - 5.6-6.9 HB2 SER 74 - QD1 ILE 129 far 0 100 0 - 7.8-10.0 HB3 SER 74 - QD1 ILE 129 far 0 100 0 - 8.2-10.4 HB THR 65 - QD1 ILE 129 far 0 100 0 - 9.9-11.7 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 1.9-3.1 2.1/4126=58, 4.0/7909=36...(29) QG2 VAL 77 - HA ILE 129 far 0 81 0 - 6.7-8.6 HG3 LYS 39 - HA ILE 129 far 0 100 0 - 8.9-10.9 HG2 LYS 39 - HA ILE 129 far 0 68 0 - 9.4-11.1 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 3.1-3.7 9946/3.2=71...(24) HG LEU 96 - HA ILE 129 far 0 60 0 - 7.9-9.5 HG2 LYS 86 - HA ILE 129 far 0 99 0 - 9.5-10.7 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 = 0.36: QG2 VAL 133 + HA ILE 129 OK 36 73 50 99 3.8-6.5 10566=62, 10562/3.6=37...(19) QG1 VAL 77 - HA ILE 129 far 0 100 0 - 7.9-9.7 Violated in 10 structures by 0.67 A. Peak 10481 from cnoeabs.peaks (1.42, 0.82, 16.92 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 92 + QG2 ILE 129 OK 100 100 100 100 3.5-4.5 9946=97, 10491/4163=82...(31) HG2 LYS 86 + QG2 ILE 80 OK 69 69 100 100 2.3-3.5 9720/3.1=62, 3.0/9821=51...(38) HG LEU 96 - QG2 ILE 129 far 0 65 0 - 5.3-7.2 HG2 LYS 86 - QG2 ILE 129 far 0 100 0 - 7.4-8.3 QB ALA 92 - QG2 ILE 80 far 0 68 0 - 8.2-9.2 QB ALA 34 - QG2 ILE 80 far 0 68 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 10482 from cnoeabs.peaks (1.02, 0.82, 16.92 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.78: QD1 LEU 69 + QG2 ILE 129 OK 53 89 65 92 2.1-5.0 11039/10486=36...(17) QG2 VAL 133 + QG2 ILE 129 OK 53 92 60 96 2.5-5.0 10587/10486=40...(23) QG2 VAL 133 - QG2 ILE 80 far 0 58 0 - 5.1-6.9 QD1 LEU 69 - QG2 ILE 80 far 0 55 0 - 8.6-11.2 Violated in 9 structures by 0.16 A. Peak 10483 from cnoeabs.peaks (1.43, 0.75, 30.23 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 92 + HG12 ILE 129 OK 100 100 100 100 1.9-4.0 10491/2.1=99...(22) HG2 LYS 86 - HG12 ILE 129 far 0 99 0 - 9.7-13.2 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 = 0.98: QG2 VAL 93 + HA ILE 129 OK 92 92 100 100 3.5-4.6 9967/4.2=70...(26) QD1 ILE 80 + HA ILE 129 OK 79 100 80 99 5.2-6.6 10588/10566=73...(16) 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 = 0.98: QD2 LEU 42 + QG2 ILE 129 OK 98 100 100 99 1.8-3.0 9081=49, 2.1/9083=41...(23) QD2 LEU 42 - QG2 ILE 80 far 0 69 0 - 5.9-7.9 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 1.8-2.5 9967=93, 2919/10461=46...(38) QD1 ILE 80 - QD1 ILE 129 far 0 71 0 - 5.6-7.1 Violated in 0 structures by 0.00 A. Peak 10488 from cnoeabs.peaks (0.28, 1.74, 30.23 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG13 ILE 129 OK 100 100 100 100 1.8-3.3 11717/1.8=100...(22) QD1 ILE 80 + HG13 ILE 129 OK 22 90 60 40 5.6-8.1 10485/3.7=39 Violated in 0 structures by 0.00 A. Peak 10489 from cnoeabs.peaks (0.96, 0.64, 14.39 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 126 + QD1 ILE 129 OK 100 100 100 100 3.1-4.0 11692=72, 2.1/10410=51...(33) QG1 VAL 126 + QD1 ILE 129 OK 39 99 40 100 3.2-4.6 10410=63, 2.1/11692=57...(31) QD2 LEU 53 - QD1 ILE 129 far 0 100 0 - 7.5-11.1 QG2 ILE 37 - QD1 ILE 129 far 0 60 0 - 8.4-9.5 Violated in 15 structures by 0.16 A. Peak 10490 from cnoeabs.peaks (1.14, 0.64, 14.39 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 129 OK 100 100 100 100 3.4-4.7 11737=99, 9947/10491=85...(25) QG1 VAL 132 + QD1 ILE 129 OK 75 100 75 100 4.8-6.3 2.1/11737=91...(22) HG3 LYS 39 - QD1 ILE 129 far 0 81 0 - 9.6-11.3 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 2 assignments used, quality = 1.00: QB ALA 92 + QD1 ILE 129 OK 100 100 100 100 1.7-2.0 9944=89, 11317/2.1=50...(29) HG2 LYS 86 - QD1 ILE 129 far 0 99 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 10492 from cnoeabs.peaks (2.24, 0.64, 14.39 ppm; 4.14 A): 2 out of 8 assignments used, quality = 0.99: HB3 LEU 96 + QD1 ILE 129 OK 98 98 100 100 2.7-3.5 3.8/9982=47, 11454=46...(31) HB3 GLU 128 + QD1 ILE 129 OK 73 83 90 98 2.9-5.3 1.8/11714=53...(14) HG2 GLU 91 - QD1 ILE 129 far 13 87 15 - 5.0-6.0 HG2 GLU 97 - QD1 ILE 129 far 0 68 0 - 5.5-8.0 HB3 GLN 127 - QD1 ILE 129 far 0 85 0 - 6.0-7.0 HB3 GLU 97 - QD1 ILE 129 far 0 60 0 - 6.6-8.3 HG2 GLN 68 - QD1 ILE 129 far 0 93 0 - 7.6-11.7 HB2 GLN 68 - QD1 ILE 129 far 0 68 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 10494 from cnoeabs.peaks (7.13, 3.77, 62.61 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.38: HE22 GLN 134 + HB3 SER 130 OK 38 99 40 96 5.0-8.4 10630/10509=85...(5) QD TYR 72 - HB3 SER 130 far 0 73 0 - 8.2-11.2 Violated in 15 structures by 1.24 A. Peak 10495 from cnoeabs.peaks (6.89, 3.77, 62.61 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.65: HE21 GLN 134 + HB3 SER 130 OK 65 100 65 100 5.7-8.7 1.7/10494=99...(5) HE21 GLN 68 - HB3 SER 130 far 0 65 0 - 8.3-15.4 Violated in 14 structures by 0.64 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 5.0-6.2 7910/3.9=92, ~4180=63...(14) H ASP 47 + HB3 SER 130 OK 90 90 100 100 4.4-6.7 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 9 assignments used, quality = 0.76: HB ILE 129 + HB2 SER 130 OK 76 76 100 100 4.0-5.5 10507/1.8=84...(10) HB2 GLN 134 - HB2 SER 130 far 15 100 15 - 5.6-8.6 HB2 GLU 44 - HB2 SER 130 far 0 100 0 - 7.4-10.5 HB ILE 129 - HB2 SER 50 far 0 48 0 - 7.5-11.1 HG3 ARG 135 - HB2 SER 130 far 0 99 0 - 8.1-12.1 HB3 GLU 55 - HB2 SER 50 far 0 60 0 - 8.3-12.0 HB3 GLU 40 - HB2 SER 130 far 0 97 0 - 9.8-11.7 HB2 GLU 44 - HB2 SER 50 far 0 72 0 - 9.9-12.9 HG3 PRO 81 - HB2 SER 130 far 0 68 0 - 9.9-16.4 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 6 assignments used, quality = 1.00: HB2 GLN 127 + HB3 SER 130 OK 100 100 100 100 4.8-7.3 3.0/4181=100, ~4037=37...(6) HG3 GLN 134 + HB3 SER 130 OK 56 65 85 100 4.7-8.2 9127/10509=92...(13) HB2 GLU 128 - HB3 SER 130 poor 12 68 75 23 6.5-8.4 10517/10520=12...(3) HG3 ARG 135 - HB3 SER 130 far 0 78 0 - 8.1-11.6 HB3 GLU 44 - HB3 SER 130 far 0 76 0 - 8.4-10.7 HB3 LYS 39 - HB3 SER 130 far 0 73 0 - 9.1-11.4 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 1.9-3.9 11718/1.8=91...(13) 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 6 assignments used, quality = 1.00: QD2 LEU 43 + HB3 SER 130 OK 100 100 100 100 2.3-3.5 11805/1.8=93...(32) HG12 ILE 129 - HB3 SER 130 far 10 97 10 - 5.0-7.8 QD2 LEU 96 - HB3 SER 130 far 0 97 0 - 7.0-8.4 QD1 LEU 96 - HB3 SER 130 far 0 96 0 - 8.0-9.1 QD2 LEU 122 - HB3 SER 130 far 0 65 0 - 8.3-12.2 QG1 VAL 93 - HB3 SER 130 far 0 97 0 - 9.3-10.7 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 5.2-6.9 1.8/11730=100...(15) HG3 GLN 134 + HB2 ASP 131 OK 81 96 85 100 4.3-8.2 ~4194=70, ~4194=70...(16) HB2 GLN 127 + HB2 ASP 131 OK 45 95 80 60 4.6-7.8 4079/4195=35...(5) HB3 LYS 39 - HB2 TYR 76 poor 15 73 20 - 6.4-9.3 HG3 PRO 81 - HB2 TYR 76 far 0 61 0 - 9.1-12.2 HB3 GLU 44 - HB2 TYR 76 far 0 74 0 - 9.5-13.6 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 = 0.91: HG2 GLU 128 + HB3 ASP 131 OK 77 81 95 100 3.5-6.4 1.8/10449=94...(13) HG3 GLU 128 + HB3 ASP 131 OK 63 63 100 100 3.8-5.4 3.9/4086=84, ~11730=60...(13) Violated in 0 structures by 0.00 A. Peak 10516 from cnoeabs.peaks (2.26, 2.87, 40.87 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.78: HB VAL 132 + HB3 ASP 131 OK 78 78 100 100 4.9-5.3 2.1/10518=93...(14) Violated in 19 structures by 0.19 A. Peak 10517 from cnoeabs.peaks (2.06, 2.87, 40.87 ppm; 5.79 A): 4 out of 4 assignments used, quality = 0.97: HB2 GLU 128 + HB3 ASP 131 OK 85 85 100 100 4.9-6.1 3.0/4086=97...(15) HG3 ARG 135 + HB3 ASP 131 OK 45 60 85 89 3.5-7.5 10525/7915=64...(6) HG3 GLN 134 + HB3 ASP 131 OK 41 83 50 100 4.4-8.4 ~4194=57, ~4194=57...(15) HB2 GLN 127 + HB3 ASP 131 OK 30 100 60 50 5.8-8.7 4079/4086=25...(4) 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 = 0.97: QG2 VAL 132 + HB3 ASP 131 OK 93 93 100 100 2.9-3.5 11161/1.8=85...(21) QG1 VAL 132 + HB3 ASP 131 OK 55 99 55 100 4.7-5.7 2.1/10516=67...(16) HG2 LYS 39 - HB3 ASP 131 far 0 97 0 - 9.9-11.8 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 3.8-4.4 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; 5.74 A): 3 out of 5 assignments used, quality = 0.99: HA SER 130 + HB3 ASP 131 OK 93 93 100 100 5.7-6.1 3.6/7904=96...(12) HB3 SER 130 + HB3 ASP 131 OK 74 78 95 99 5.1-6.7 4.6/7904=85...(13) HB2 SER 130 + HB3 ASP 131 OK 20 68 30 98 5.7-7.1 4.6/7904=85...(7) HA VAL 133 - HB3 ASP 131 far 0 60 0 - 7.2-8.0 HA LEU 43 - HB3 ASP 131 far 0 92 0 - 8.4-9.8 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 1.8-3.9 11783=99, 1.8/10527=79...(27) HB2 GLN 134 - HA VAL 132 far 0 95 0 - 5.6-7.3 HG3 PRO 81 - HA VAL 132 far 0 87 0 - 7.2-10.9 HB3 GLU 91 - HA VAL 132 far 0 100 0 - 9.3-11.5 HB2 GLN 127 - HA VAL 132 far 0 76 0 - 9.7-12.2 HG2 ARG 90 - HA VAL 132 far 0 97 0 - 9.8-11.1 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 4 assignments used, quality = 1.00: HG2 ARG 135 + HA VAL 132 OK 100 100 100 100 1.8-5.1 10019=97, 1.8/11783=85...(25) HB ILE 80 - HA VAL 132 far 0 68 0 - 8.4-9.6 HD3 LYS 39 - HA VAL 132 far 0 100 0 - 9.2-11.4 HG3 ARG 90 - HA VAL 132 far 0 81 0 - 9.9-12.0 Violated in 1 structures by 0.03 A. Peak 10528 from cnoeabs.peaks (2.77, 3.52, 66.53 ppm; 5.97 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 131 + HA VAL 132 OK 100 100 100 100 4.3-5.6 7914/3.0=99...(16) HB2 TYR 76 - HA VAL 132 far 0 97 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 10529 from cnoeabs.peaks (2.93, 3.52, 66.53 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.99: HD2 ARG 135 + HA VAL 132 OK 99 99 100 100 2.0-4.7 10636=90, 1.8/10530=76...(21) HE2 LYS 39 - HA VAL 132 far 0 100 0 - 7.5-11.4 HE3 LYS 39 - HA VAL 132 far 0 100 0 - 8.0-12.5 HE3 LYS 86 - HA VAL 132 far 0 65 0 - 9.4-12.0 Violated in 2 structures by 0.03 A. Peak 10530 from cnoeabs.peaks (3.24, 3.52, 66.53 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.97: HD3 ARG 135 + HA VAL 132 OK 97 97 100 100 2.3-4.7 10635=96, 1.8/10529=90...(21) HB2 PHE 87 - HA VAL 132 far 0 93 0 - 8.5-10.0 HB3 PHE 87 - HA VAL 132 far 0 97 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (0.81, 1.13, 22.77 ppm; 3.38 A): 4 out of 14 assignments used, quality = 0.88: HG13 ILE 80 + QG1 VAL 132 OK 60 92 70 94 3.3-5.9 2.1/11656=62, ~9722=27...(29) QG2 ILE 129 + QG2 VAL 132 OK 45 46 100 97 3.3-4.1 3.0/10490=42...(27) QG1 VAL 133 + QG1 VAL 132 OK 30 63 50 96 3.0-5.6 3.2/10538=41, ~11764=31...(28) QG2 ILE 80 + QG1 VAL 132 OK 24 100 25 96 3.4-4.9 3.1/11656=48...(29) QG1 VAL 133 - QG2 VAL 132 poor 13 27 50 - 3.8-5.8 QG2 ILE 129 - QG1 VAL 132 far 0 95 0 - 4.4-5.0 QG2 ILE 80 - QG2 VAL 132 far 0 52 0 - 5.6-6.9 HG13 ILE 80 - QG2 VAL 132 far 0 44 0 - 5.9-7.8 QD2 LEU 122 - QG2 VAL 132 far 0 35 0 - 8.5-11.8 QD1 LEU 70 - QG2 VAL 132 far 0 49 0 - 8.6-11.1 QD2 LEU 49 - QG2 VAL 132 far 0 47 0 - 8.7-11.1 QD1 LEU 70 - QG1 VAL 132 far 0 97 0 - 9.4-12.1 QD1 LEU 122 - QG2 VAL 132 far 0 53 0 - 9.6-11.7 QD1 LEU 53 - QG2 VAL 132 far 0 44 0 - 9.8-11.9 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 3.3-4.3 3.2/4126=84, ~10490=67...(19) QG2 ILE 80 + HB VAL 132 OK 79 100 80 100 5.2-6.8 ~11738=71, ~11656=70...(13) HG13 ILE 80 + HB VAL 132 OK 78 92 85 100 4.8-7.1 ~11738=85, ~11656=84...(14) QG1 VAL 133 + HB VAL 132 OK 63 63 100 100 2.7-5.2 2.1/11764=94...(22) QD2 LEU 119 - HB3 PRO 113 poor 18 70 25 - 4.0-8.5 QD1 LEU 103 - HB3 PRO 113 far 0 41 0 - 7.4-13.4 QD1 LEU 53 - HB3 PRO 113 far 0 62 0 - 8.4-13.9 Violated in 0 structures by 0.00 A. Peak 10533 from cnoeabs.peaks (1.66, 1.13, 22.77 ppm; 3.06 A): 2 out of 19 assignments used, quality = 0.99: QB ALA 88 + QG1 VAL 132 OK 98 100 100 98 1.8-2.3 9861=50, 9861/2.1=33...(27) QB ALA 88 + QG2 VAL 132 OK 52 54 100 97 1.9-2.7 9861=49, 9861/2.1=34...(25) HG3 ARG 84 - QG1 VAL 132 far 0 73 0 - 4.6-7.6 HG2 ARG 84 - QG1 VAL 132 far 0 73 0 - 4.9-7.7 HG3 ARG 84 - QG2 VAL 132 far 0 33 0 - 6.3-10.0 HG2 ARG 84 - QG2 VAL 132 far 0 33 0 - 6.6-9.9 HD3 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.3-8.2 HD2 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.4-8.0 HD2 LYS 95 - QG2 VAL 132 far 0 51 0 - 7.5-10.5 HD3 LYS 95 - QG2 VAL 132 far 0 53 0 - 7.5-10.5 HG LEU 43 - QG2 VAL 132 far 0 41 0 - 7.8-9.1 HG LEU 43 - QG1 VAL 132 far 0 87 0 - 7.9-9.5 HD2 LYS 39 - QG1 VAL 132 far 0 89 0 - 8.7-10.3 HD2 LYS 95 - QG1 VAL 132 far 0 99 0 - 8.9-12.0 HB2 LEU 69 - QG2 VAL 132 far 0 51 0 - 9.0-11.8 HD3 LYS 95 - QG1 VAL 132 far 0 100 0 - 9.1-11.7 HD2 LYS 39 - QG2 VAL 132 far 0 42 0 - 9.2-11.3 HD3 LYS 86 - QG2 VAL 132 far 0 53 0 - 9.5-10.2 HD2 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 12 assignments used, quality = 0.99: HG3 ARG 135 + QG1 VAL 132 OK 98 98 100 100 2.1-4.6 2.9/11659=62...(41) HG3 ARG 135 + QG2 VAL 132 OK 48 50 95 100 3.6-5.5 11783/3.2=62, ~10527=41...(44) HG3 PRO 81 - QG1 VAL 132 far 0 97 0 - 5.5-8.1 HB3 GLU 91 - QG2 VAL 132 far 0 50 0 - 5.6-7.3 HB3 GLU 91 - QG1 VAL 132 far 0 98 0 - 5.9-7.7 HG2 ARG 90 - QG1 VAL 132 far 0 85 0 - 5.9-7.0 HB2 GLN 134 - QG2 VAL 132 far 0 37 0 - 6.3-8.0 HB2 GLN 134 - QG1 VAL 132 far 0 81 0 - 6.6-8.0 HG2 ARG 90 - QG2 VAL 132 far 0 39 0 - 6.7-7.8 HB2 GLN 127 - QG2 VAL 132 far 0 44 0 - 7.0-8.7 HG3 PRO 81 - QG2 VAL 132 far 0 49 0 - 7.9-10.6 HB2 GLN 127 - QG1 VAL 132 far 0 92 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (2.71, 1.13, 22.77 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.92: HB2 ASN 85 + QG1 VAL 132 OK 92 92 100 100 1.8-3.9 1.8/11743=65, 9790=63...(24) HB2 ASN 85 - QG2 VAL 132 poor 16 44 35 - 4.2-6.5 HB2 CYS 125 - QG2 VAL 132 far 0 28 0 - 7.0-8.7 HB2 CYS 125 - QG1 VAL 132 far 0 65 0 - 9.1-10.9 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 4.7-5.7 ~11161=70, ~11138=65...(16) HB3 ASP 131 + QG2 VAL 132 OK 27 27 100 100 2.9-3.5 1.8/11161=95...(19) HE2 LYS 95 - QG2 VAL 132 far 0 45 0 - 7.3-10.7 HE3 LYS 95 - QG2 VAL 132 far 0 45 0 - 7.6-10.2 HE2 LYS 95 - QG1 VAL 132 far 0 93 0 - 8.6-11.8 HE3 LYS 95 - QG1 VAL 132 far 0 93 0 - 9.1-11.1 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 1.9-3.8 2.7/10546=43...(33) HB2 PHE 89 + QG2 VAL 132 OK 38 48 80 99 3.5-5.0 ~11650=28, ~11943=28...(29) HB3 CYS 73 - QG2 VAL 132 far 0 41 0 - 6.7-8.7 HB3 CYS 73 - QG1 VAL 132 far 0 87 0 - 7.1-9.3 Violated in 1 structures by 0.00 A. Peak 10538 from cnoeabs.peaks (3.78, 1.13, 22.77 ppm; 5.21 A): 4 out of 10 assignments used, quality = 0.99: HA VAL 133 + QG1 VAL 132 OK 96 96 100 100 3.3-4.4 9726/11656=83...(35) HA SER 130 + QG2 VAL 132 OK 52 53 100 98 4.9-5.7 3.6/11651=68...(10) HA VAL 133 + QG2 VAL 132 OK 47 47 100 100 5.1-5.4 11750/3.2=73, ~7929=63...(33) HB3 SER 130 + QG2 VAL 132 OK 21 52 45 90 5.9-6.9 4.6/11651=56...(10) HA SER 130 - QG1 VAL 132 far 10 100 10 - 5.8-6.8 HA ARG 90 - QG2 VAL 132 far 7 44 15 - 6.0-7.0 HA ARG 90 - QG1 VAL 132 far 5 92 5 - 6.1-7.3 HB3 SER 130 - QG1 VAL 132 far 0 100 0 - 7.6-8.3 HA LEU 43 - QG2 VAL 132 far 0 53 0 - 7.9-8.7 HA LEU 43 - QG1 VAL 132 far 0 100 0 - 8.9-9.8 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 2.4-3.7 3.0/10537=41...(36) HA PHE 89 + QG2 VAL 132 OK 48 48 100 100 2.1-3.2 2897/9947=50, 9873=38...(34) HA ILE 80 - QG1 VAL 132 far 0 63 0 - 5.7-7.1 HA ILE 80 - QG2 VAL 132 far 0 27 0 - 8.1-9.3 HA CYS 79 - QG1 VAL 132 far 0 98 0 - 9.5-10.8 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 5.8-6.7 3.6/10545=98...(5) HA ALA 88 + QG1 VAL 132 OK 71 71 100 100 3.7-4.6 ~11528=92, ~11661=83...(22) HA ALA 88 + QG2 VAL 132 OK 31 31 100 100 3.7-4.6 ~11528=92, ~11661=83...(21) HA ARG 84 - QG2 VAL 132 far 2 39 5 - 7.7-8.7 HA SER 124 - QG2 VAL 132 far 0 47 0 - 8.5-9.4 HA SER 94 - QG2 VAL 132 far 0 53 0 - 9.4-10.3 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 2.0-3.0 3.0/10535=61...(22) HA ASN 85 + QG2 VAL 132 OK 46 48 95 99 4.0-5.1 2750/9861=36, ~10535=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 4 assignments used, quality = 0.90: H ARG 135 + HA VAL 132 OK 90 90 100 100 3.0-3.8 10624=85, 7983/10527=63...(16) H ASN 85 - HA VAL 132 far 0 73 0 - 6.7-7.8 HZ PHE 89 - HA VAL 132 far 0 98 0 - 7.7-9.6 QD PHE 87 - HA VAL 132 far 0 81 0 - 9.7-10.6 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 = 0.99: HE ARG 135 + HA VAL 132 OK 95 100 95 100 3.5-6.1 11868=100, 2.9/10529=72...(14) QD PHE 89 + HA VAL 132 OK 86 96 90 100 4.5-5.5 11650/3.0=64...(22) Violated in 6 structures by 0.02 A. Peak 10544 from cnoeabs.peaks (7.84, 1.13, 22.77 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.94: H ALA 88 + QG1 VAL 132 OK 78 78 100 100 3.2-4.0 3.0/10533=59, ~11528=44...(22) H ALA 92 + QG2 VAL 132 OK 43 43 100 100 4.2-5.0 3.0/9947=83...(15) H ALA 88 + QG2 VAL 132 OK 35 35 100 100 4.4-5.0 3.0/9861=45, ~11528=44...(20) H ALA 92 + QG1 VAL 132 OK 31 90 35 100 5.2-6.1 ~9947=52, ~10082=43...(16) Violated in 0 structures by 0.00 A. Peak 10545 from cnoeabs.peaks (7.28, 1.13, 22.77 ppm; 4.20 A): 1 out of 8 assignments used, quality = 0.96: H ASN 85 + QG1 VAL 132 OK 96 97 100 99 4.1-5.0 3.6/10535=58...(19) HE ARG 84 - QG1 VAL 132 far 7 68 10 - 4.3-9.3 HZ PHE 89 - QG1 VAL 132 far 0 76 0 - 5.5-7.4 HZ PHE 89 - QG2 VAL 132 far 0 34 0 - 5.9-7.0 HE ARG 84 - QG2 VAL 132 far 0 30 0 - 6.0-11.6 H ASN 85 - QG2 VAL 132 far 0 49 0 - 6.4-7.3 QE PHE 87 - QG1 VAL 132 far 0 99 0 - 7.9-8.7 QE PHE 87 - QG2 VAL 132 far 0 51 0 - 8.6-9.8 Violated in 17 structures by 0.21 A. Peak 10546 from cnoeabs.peaks (7.07, 1.13, 22.77 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: QD PHE 89 + QG1 VAL 132 OK 100 100 100 100 2.0-3.9 11650/2.1=41...(39) QD PHE 89 + QG2 VAL 132 OK 53 53 100 99 3.0-4.2 11650/2.1=41...(35) HE ARG 135 - QG1 VAL 132 far 5 96 5 - 4.1-6.2 HE ARG 135 - QG2 VAL 132 far 0 47 0 - 4.9-7.6 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 2 assignments used, quality = 1.00: H PHE 89 + QG2 VAL 132 OK 100 100 100 100 3.4-4.1 9867=51, 9867/2.1=42...(26) H PHE 89 + QG1 VAL 132 OK 53 53 100 100 2.4-3.1 9867=48, 9869/11738=46...(27) 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 1.9-4.1 2.2/10554=60...(23) Violated in 7 structures by 0.10 A. Peak 10553 from cnoeabs.peaks (7.30, 1.04, 23.73 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.98: HZ PHE 89 + QG2 VAL 133 OK 85 100 85 100 3.4-5.7 2.2/10552=82...(15) H ARG 135 + QG2 VAL 133 OK 84 99 85 100 4.1-5.2 7972/4256=64...(14) QD PHE 87 - QG2 VAL 133 far 0 96 0 - 9.6-12.3 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 = 0.88: QD PHE 89 + QG2 VAL 133 OK 88 97 90 100 1.9-5.5 2.2/10552=82...(20) HE ARG 135 - QG2 VAL 133 far 0 73 0 - 6.4-8.6 Violated in 10 structures by 0.38 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 2.8-3.7 10558/2.1=67, 9631=49...(22) Violated in 4 structures by 0.01 A. Peak 10556 from cnoeabs.peaks (7.32, 0.84, 22.13 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: H ARG 135 + QG1 VAL 133 OK 100 100 100 100 4.4-5.3 7972/4250=73...(13) HZ PHE 89 + QG1 VAL 133 OK 97 97 100 100 2.4-5.3 2.2/11756=74...(17) QD PHE 87 - QG1 VAL 133 far 0 100 0 - 9.3-11.4 Violated in 1 structures by 0.01 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 1.9-4.8 10554/2.1=95...(21) HE ARG 135 - QG1 VAL 133 far 0 95 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 10558 from cnoeabs.peaks (6.46, 0.84, 22.13 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.94: QE TYR 76 + QG1 VAL 133 OK 94 95 100 99 1.9-4.3 10555/2.1=73...(27) Violated in 2 structures by 0.04 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 2.3-4.2 10555/3.2=83...(16) 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 2 assignments used, quality = 1.00: H ARG 135 + HA VAL 133 OK 100 100 100 100 3.7-4.5 7972/3.6=89...(9) HZ PHE 89 - HA VAL 133 far 14 97 15 - 5.1-7.4 Violated in 0 structures by 0.00 A. Peak 10561 from cnoeabs.peaks (6.49, 2.19, 31.57 ppm; 6.71 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + HB VAL 133 OK 95 95 100 100 2.0-5.0 9631/2.1=91...(12) QD TYR 76 + HB VAL 133 OK 89 89 100 100 3.6-6.8 ~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; 4.58 A): 1 out of 4 assignments used, quality = 0.90: H SER 130 + QG2 VAL 133 OK 90 100 90 100 3.8-5.9 2.9/11861=67...(19) H TYR 76 - QG2 VAL 133 far 0 99 0 - 7.1-8.9 H CYS 79 - QG2 VAL 133 far 0 99 0 - 7.2-9.1 H LEU 48 - QG2 VAL 133 far 0 98 0 - 9.2-10.2 Violated in 10 structures by 0.33 A. Peak 10563 from cnoeabs.peaks (8.27, 1.04, 23.73 ppm; 4.55 A): 2 out of 6 assignments used, quality = 0.99: H LEU 43 + QG2 VAL 133 OK 94 95 100 100 3.3-5.0 1338/10587=69...(18) H ASP 131 + QG2 VAL 133 OK 90 100 90 100 3.7-6.0 7925/7935=60...(20) H GLU 40 - QG2 VAL 133 far 15 99 15 - 4.8-7.5 H VAL 126 - QG2 VAL 133 far 0 90 0 - 9.0-11.2 H LEU 69 - QG2 VAL 133 far 0 73 0 - 9.2-11.4 H LEU 96 - QG2 VAL 133 far 0 100 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (8.47, 1.04, 23.73 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: H VAL 132 + QG2 VAL 133 OK 100 100 100 100 3.6-5.5 3.3/7935=86...(25) H ASP 47 - QG2 VAL 133 far 0 87 0 - 7.1-8.2 H LEU 70 - QG2 VAL 133 far 0 97 0 - 9.0-11.5 Violated in 5 structures by 0.07 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 5.1-5.5 10564/3.2=91...(24) Violated in 0 structures by 0.00 A. Peak 10566 from cnoeabs.peaks (3.45, 1.04, 23.73 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.48: HA ILE 129 + QG2 VAL 133 OK 48 96 50 100 3.8-6.5 3.6/10562=57, 10479=52...(20) HA LEU 42 - QG2 VAL 133 far 3 68 5 - 5.3-6.5 HA VAL 77 - QG2 VAL 133 far 0 100 0 - 5.5-7.8 HA VAL 126 - QG2 VAL 133 far 0 90 0 - 6.9-9.1 Violated in 10 structures by 0.75 A. Peak 10567 from cnoeabs.peaks (1.17, 1.04, 23.73 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.84: HG3 LYS 39 + QG2 VAL 133 OK 76 98 80 97 1.9-5.4 10873/10587=38...(25) QG2 VAL 132 + QG2 VAL 133 OK 32 65 50 97 3.6-5.9 2.1/11764=42...(30) QG2 VAL 77 - QG2 VAL 133 far 0 90 0 - 5.6-8.1 QB ALA 41 - QG2 VAL 133 far 0 100 0 - 5.7-7.5 Violated in 10 structures by 0.16 A. Peak 10568 from cnoeabs.peaks (1.48, 1.04, 23.73 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.89: HG LEU 42 + QG2 VAL 133 OK 89 99 90 100 3.6-5.6 2.1/10587=96...(26) HG3 LYS 86 - QG2 VAL 133 far 0 100 0 - 7.1-10.3 HB2 LEU 49 - QG2 VAL 133 far 0 87 0 - 9.4-13.0 Violated in 10 structures by 0.25 A. Peak 10569 from cnoeabs.peaks (1.67, 1.04, 23.73 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.82: HG LEU 43 + QG2 VAL 133 OK 65 65 100 100 1.9-4.6 2.1/11776=91...(22) HD2 LYS 39 + QG2 VAL 133 OK 49 99 50 100 3.1-6.8 3.0/10567=57...(25) QB ALA 88 - QG2 VAL 133 far 0 98 0 - 6.0-8.1 HB2 LEU 69 - QG2 VAL 133 far 0 100 0 - 6.7-10.3 HD2 LYS 86 - QG2 VAL 133 far 0 97 0 - 8.2-11.2 HD3 LYS 86 - QG2 VAL 133 far 0 97 0 - 8.8-11.7 Violated in 1 structures by 0.01 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 2.6-4.7 10576/2.1=79...(21) HB3 CYS 79 - QG2 VAL 133 far 0 68 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 10571 from cnoeabs.peaks (2.97, 1.04, 23.73 ppm; 5.93 A): 0 out of 5 assignments used, quality = 0.00: HD2 ARG 135 - QG2 VAL 133 poor 18 60 30 - 5.5-7.8 HB2 CYS 45 - QG2 VAL 133 far 0 71 0 - 7.1-8.5 HE3 LYS 86 - QG2 VAL 133 far 0 99 0 - 8.0-11.7 HE3 LYS 36 - QG2 VAL 133 far 0 99 0 - 9.0-13.9 HE2 LYS 36 - QG2 VAL 133 far 0 97 0 - 9.4-13.5 Violated in 16 structures by 0.41 A. Peak 10572 from cnoeabs.peaks (1.66, 0.84, 22.13 ppm; 3.66 A): 2 out of 8 assignments used, quality = 0.82: HG LEU 43 + QG1 VAL 133 OK 68 85 80 100 2.8-5.0 2.1/11679=88...(23) HD2 LYS 39 + QG1 VAL 133 OK 44 90 50 98 3.4-6.6 1.8/11768=39...(24) QB ALA 88 - QG1 VAL 133 far 0 100 0 - 5.6-8.1 HB2 LEU 69 - QG1 VAL 133 far 0 99 0 - 6.5-10.5 HD2 LYS 86 - QG1 VAL 133 far 0 100 0 - 7.6-10.7 HD3 LYS 86 - QG1 VAL 133 far 0 100 0 - 8.3-11.0 HG2 ARG 84 - QG1 VAL 133 far 0 71 0 - 8.7-12.8 HG3 ARG 84 - QG1 VAL 133 far 0 71 0 - 8.8-12.3 Violated in 5 structures by 0.25 A. Peak 10573 from cnoeabs.peaks (1.33, 0.84, 22.13 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.37: QB ALA 46 + QG1 VAL 133 OK 37 96 40 97 4.1-6.3 9176/11777=76...(8) Violated in 18 structures by 1.06 A. Peak 10574 from cnoeabs.peaks (2.04, 0.84, 22.13 ppm; 4.52 A): 1 out of 7 assignments used, quality = 0.51: HG3 PRO 81 + QG1 VAL 133 OK 51 98 60 87 2.1-9.6 ~11757=49, 10575/2.1=34...(13) HG3 ARG 135 - QG1 VAL 133 poor 19 97 20 - 5.0-7.9 HB2 GLN 134 - QG1 VAL 133 far 8 78 10 - 3.9-6.3 HG2 ARG 90 - QG1 VAL 133 far 0 83 0 - 7.0-9.3 HB3 GLU 40 - QG1 VAL 133 far 0 99 0 - 7.1-9.3 HB2 GLN 127 - QG1 VAL 133 far 0 93 0 - 8.0-11.3 HB2 GLU 44 - QG1 VAL 133 far 0 85 0 - 8.1-10.3 Violated in 10 structures by 1.36 A. Peak 10575 from cnoeabs.peaks (2.05, 1.04, 23.73 ppm; 4.71 A): 3 out of 8 assignments used, quality = 0.75: HG3 PRO 81 + QG2 VAL 133 OK 44 100 45 99 3.9-9.4 10574/2.1=86...(15) HB2 GLN 134 + QG2 VAL 133 OK 34 68 50 100 4.0-6.5 2.9/10570=72...(20) HG3 ARG 135 + QG2 VAL 133 OK 31 93 40 83 5.2-7.4 4336/10632=40...(9) HB3 GLU 40 - QG2 VAL 133 far 0 97 0 - 6.6-9.2 HG2 ARG 90 - QG2 VAL 133 far 0 73 0 - 7.6-10.5 HB2 GLU 44 - QG2 VAL 133 far 0 76 0 - 7.9-9.9 HB2 GLN 127 - QG2 VAL 133 far 0 97 0 - 8.4-11.0 HB3 GLU 91 - QG2 VAL 133 far 0 93 0 - 9.4-13.3 Violated in 9 structures by 0.04 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 3.9-5.1 10597=98, 10570/2.1=89...(19) Violated in 1 structures by 0.01 A. Peak 10577 from cnoeabs.peaks (2.96, 0.84, 22.13 ppm; 3.98 A): 2 out of 8 assignments used, quality = 0.66: HE2 LYS 39 + QG1 VAL 133 OK 52 71 75 98 1.9-7.2 9097/10585=43...(19) HE3 LYS 39 + QG1 VAL 133 OK 29 60 50 97 2.5-7.3 2.9/11768=35...(17) HG CYS 73 - QG1 VAL 133 far 0 83 0 - 5.3-10.5 HD2 ARG 135 - QG1 VAL 133 far 0 87 0 - 5.4-8.5 HB2 CYS 45 - QG1 VAL 133 far 0 93 0 - 6.9-9.0 HE3 LYS 86 - QG1 VAL 133 far 0 100 0 - 7.4-10.5 HE2 LYS 36 - QG1 VAL 133 far 0 100 0 - 9.3-13.3 HE3 LYS 36 - QG1 VAL 133 far 0 100 0 - 9.3-13.9 Violated in 10 structures by 0.50 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 2.7-4.9 9053=95, 10870/10585=72...(22) Violated in 1 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (2.92, 1.04, 23.73 ppm; 6.44 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 39 + QG2 VAL 133 OK 100 100 100 100 2.2-6.2 4.9/11767=84...(20) HE2 LYS 39 + QG2 VAL 133 OK 99 99 100 100 1.9-4.9 4.9/11767=84...(24) HD2 ARG 135 + QG2 VAL 133 OK 51 92 65 86 5.5-7.8 7985/10632=70...(7) HG CYS 73 + QG2 VAL 133 OK 41 95 50 87 5.5-10.4 9097/10587=39...(7) HB2 CYS 45 - QG2 VAL 133 far 4 85 5 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 10585 from cnoeabs.peaks (0.56, 0.84, 22.13 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 42 + QG1 VAL 133 OK 100 100 100 100 1.8-3.0 10587/2.1=75...(41) Violated in 0 structures by 0.00 A. Peak 10586 from cnoeabs.peaks (0.25, 0.84, 22.13 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.89: QD1 ILE 80 + QG1 VAL 133 OK 89 89 100 100 2.3-4.7 10588/2.1=63...(35) Violated in 1 structures by 0.01 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 1.8-3.0 2.1/11774=62...(37) 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 = 0.75: QD1 ILE 80 + QG2 VAL 133 OK 75 100 75 100 3.0-5.6 9746/10555=62...(34) QG2 VAL 93 - QG2 VAL 133 far 9 92 10 - 4.7-7.4 Violated in 10 structures by 0.39 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 3.1-4.3 9726=90, 10588/3.2=86...(22) QG2 VAL 93 - HA VAL 133 far 0 87 0 - 7.1-8.4 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 = 0.98: HD3 LYS 39 + HG2 GLN 134 OK 78 87 90 100 3.4-7.8 ~10602=41, 2.9/10603=38...(20) HD2 LYS 39 + HG2 GLN 134 OK 78 87 90 100 4.2-9.0 ~10602=41, 2.9/10603=38...(19) HG2 ARG 135 + HG2 GLN 134 OK 67 92 75 97 3.5-8.7 7983/7976=88...(6) 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 2.6-4.7 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 1.9-4.7 9124=98, 9127/1.8=85...(31) HG12 ILE 129 - HG2 GLN 134 far 0 100 0 - 9.2-11.3 Violated in 1 structures by 0.02 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 3.9-5.1 10576=98, 2.1/10570=85...(19) QG2 ILE 129 - HG2 GLN 134 far 0 81 0 - 6.4-8.3 QG2 ILE 80 - HG2 GLN 134 far 0 60 0 - 8.1-10.4 HG13 ILE 80 - HG2 GLN 134 far 0 85 0 - 8.3-11.1 QD2 LEU 69 - HG2 GLN 134 far 0 65 0 - 8.5-12.0 Violated in 8 structures by 0.05 A. Peak 10598 from cnoeabs.peaks (1.65, 2.08, 35.91 ppm; 6.44 A): 2 out of 3 assignments used, quality = 0.97: HG LEU 43 + HG3 GLN 134 OK 94 99 95 100 3.8-7.5 2.1/11685=100...(26) HD2 LYS 39 + HG3 GLN 134 OK 44 60 75 99 3.1-8.1 2.9/10602=47...(14) QB ALA 88 - HG3 GLN 134 far 0 96 0 - 8.1-11.2 Violated in 2 structures by 0.02 A. Peak 10599 from cnoeabs.peaks (1.05, 2.08, 35.91 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 133 + HG3 GLN 134 OK 99 99 100 100 2.6-5.5 10570/1.8=96...(28) Violated in 1 structures by 0.01 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...(24) Violated in 1 structures by 0.01 A. Peak 10601 from cnoeabs.peaks (0.83, 2.08, 35.91 ppm; 5.05 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 133 + HG3 GLN 134 OK 100 100 100 100 2.9-5.3 10576/1.8=87...(28) QG2 ILE 129 - HG3 GLN 134 far 0 93 0 - 6.3-9.3 QG2 ILE 80 - HG3 GLN 134 far 0 78 0 - 7.6-10.2 HG13 ILE 80 - HG3 GLN 134 far 0 96 0 - 9.0-11.3 Violated in 8 structures by 0.07 A. Peak 10602 from cnoeabs.peaks (2.93, 2.08, 35.91 ppm; 5.78 A): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 39 + HG3 GLN 134 OK 99 100 100 99 2.2-6.4 10577/10601=41...(16) HE3 LYS 39 + HG3 GLN 134 OK 94 100 95 99 2.2-7.2 9120/10600=40...(16) HD2 ARG 135 + HG3 GLN 134 OK 29 99 35 84 4.5-9.3 7985/7977=73, ~10594=13...(5) Violated in 0 structures by 0.00 A. Peak 10603 from cnoeabs.peaks (2.95, 2.65, 35.91 ppm; 5.92 A): 3 out of 3 assignments used, quality = 0.96: HE2 LYS 39 + HG2 GLN 134 OK 80 89 90 100 2.0-8.0 10577/10576=48...(19) HE3 LYS 39 + HG2 GLN 134 OK 68 81 85 100 2.4-8.6 9120/9121=43...(19) HD2 ARG 135 + HG2 GLN 134 OK 35 97 45 80 5.0-8.9 7985/7976=73...(4) 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 99 3.7-5.5 11747/9124=72...(11) HB3 SER 130 + HG2 GLN 134 OK 65 87 80 93 4.3-7.1 10509/9124=58...(8) HA VAL 133 + HG2 GLN 134 OK 60 71 85 100 4.9-6.3 3.6/7950=86...(15) HA LEU 43 + HG2 GLN 134 OK 52 97 55 97 5.5-7.8 3.9/9124=76, 4.1/9121=72...(5) 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 = 0.99: HA SER 130 + HG3 GLN 134 OK 80 81 100 99 3.2-6.6 11863/10601=67...(14) HB2 SER 130 + HG3 GLN 134 OK 77 85 100 91 4.2-7.6 11720/10601=73...(8) HA LEU 43 + HG3 GLN 134 OK 67 78 85 100 5.3-8.8 3.9/11685=97...(7) HB3 SER 130 + HG3 GLN 134 OK 50 60 90 93 4.7-8.2 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 1.9-4.5 11867=99, 11874/4308=91...(12) QD PHE 89 - HA ARG 135 far 0 90 0 - 7.7-9.6 Violated in 0 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 2.4-4.1 5.1=100 QD PHE 89 - HB2 ARG 135 poor 18 100 30 60 6.2-8.5 10543/10638=33...(3) 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 2.1-3.6 11874=95, 11871/1.8=86...(7) QD PHE 89 - HG2 ARG 135 far 0 100 0 - 5.4-9.1 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 2.3-3.6 4.0=100 QD PHE 89 - HG3 ARG 135 far 0 93 0 - 5.7-8.2 HE ARG 135 - HG3 PRO 81 far 0 61 0 - 6.3-11.2 QD PHE 89 - HG3 PRO 81 far 0 52 0 - 6.9-9.2 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 2.5-2.9 2.9=100 QD PHE 89 - HD2 ARG 135 far 0 81 0 - 5.8-9.2 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 10 100 10 - 4.3-13.0 Violated in 19 structures by 4.43 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 2.6-2.9 2.9=100 QD PHE 89 - HD3 ARG 135 far 0 81 0 - 6.8-9.2 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 5 99 5 - 3.6-12.9 Violated in 19 structures by 4.26 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 = 0.57: HD22 ASN 85 + HD3 ARG 135 OK 57 71 80 100 3.2-8.0 1.7/11885=99, ~9800=68...(10) H PHE 87 - HD3 ARG 135 far 0 98 0 - 7.7-12.2 H GLU 91 - HD3 ARG 135 far 0 87 0 - 9.2-12.5 Violated in 8 structures by 0.33 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 2.3-4.7 10530=96, 10529/1.8=82...(21) Violated in 1 structures by 0.02 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 2.0-4.7 10529=97, 10530/1.8=76...(21) Violated in 2 structures by 0.02 A. Peak 10638 from cnoeabs.peaks (3.50, 1.90, 31.04 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.85: HA VAL 132 + HB2 ARG 135 OK 85 85 100 100 2.0-4.5 11797=77, 10624/7981=76...(21) Violated in 0 structures by 0.00 A. Peak 10640 from cnoeabs.peaks (1.13, 3.23, 44.19 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 132 + HD3 ARG 135 OK 95 100 95 100 3.1-5.2 11744=64, 3.2/10635=61...(33) QG2 VAL 132 + HD3 ARG 135 OK 85 100 85 100 3.3-6.2 3.2/10635=61...(32) HG2 LYS 39 - HD3 ARG 135 far 0 100 0 - 8.7-13.4 HG3 LYS 39 - HD3 ARG 135 far 0 76 0 - 9.5-12.6 Violated in 3 structures by 0.03 A. Peak 10643 from cnoeabs.peaks (7.27, 3.25, 28.77 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: HD2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 10644 from cnoeabs.peaks (7.26, 4.69, 55.19 ppm; 6.26 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.6-4.8 4.7=100 HD2 HIS 10 - HA HIS 8 lone 1 85 45 2 4.5-10.6 Violated in 0 structures by 0.00 A. Peak 10645 from cnoeabs.peaks (7.27, 3.17, 28.77 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: HD2 HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 HD2 HIS 10 - HB3 HIS 6 far 0 52 0 - 6.2-17.7 HD2 HIS 10 - HB2 HIS 6 far 0 32 0 - 6.7-17.1 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 3 assignments used, quality = 0.93: QB ALA 12 + HA MET 11 OK 93 93 100 100 3.7-4.3 4.6=100 HG2 LYS 19 - HA MET 11 far 0 85 0 - 6.4-21.9 QB ALA 21 - HA MET 11 far 0 100 0 - 8.6-18.8 Violated in 0 structures by 0.00 A. Peak 10651 from cnoeabs.peaks (0.90, 2.02, 32.84 ppm; 3.20 A): 0 out of 3 assignments used, quality = 0.00: QG1 VAL 20 - HB3 MET 11 far 5 100 5 - 4.1-17.5 QG2 VAL 20 - HB3 MET 11 far 0 97 0 - 5.8-18.9 QG2 VAL 63 - HB3 MET 11 far 0 99 0 - 8.3-39.9 Violated in 20 structures by 8.78 A. Peak 10654 from cnoeabs.peaks (1.37, 4.66, 53.15 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 12 + HA ASN 13 OK 95 95 100 100 4.1-4.3 5.0=100 QB ALA 15 + HA ASN 13 OK 50 97 70 74 4.0-7.6 10659/6106=55...(4) HG2 LYS 19 - HA ASN 13 far 0 99 0 - 6.5-16.4 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (1.37, 2.77, 38.79 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.93: QB ALA 12 + HB3 ASN 13 OK 93 95 100 99 3.6-5.0 6085/6088=83...(6) QB ALA 15 - HB3 ASN 13 poor 19 97 30 65 3.4-7.4 10659/6108=37...(4) HG2 LYS 19 - HB3 ASN 13 far 0 99 0 - 8.1-16.1 Violated in 1 structures by 0.00 A. Peak 10660 from cnoeabs.peaks (1.37, 3.92, 45.20 ppm; 3.82 A): 4 out of 14 assignments used, quality = 0.97: QB ALA 15 + HA2 GLY 14 OK 75 99 80 95 3.9-5.0 4.9=47, 2.9/6116=34...(10) QB ALA 110 + HA2 GLY 111 OK 53 78 70 97 3.9-5.1 4.8=49, 7578/3.0=38...(18) QB ALA 15 + HA3 GLY 14 OK 47 99 50 96 4.1-5.0 4.9=47, 2.9/6116=35...(12) QB ALA 109 + HA2 GLY 111 OK 46 71 75 86 3.5-6.0 10732/10661=33...(15) QB ALA 16 - HA3 GLY 14 poor 20 57 35 - 4.2-7.9 QB ALA 12 - HA2 GLY 14 poor 18 92 20 - 3.9-7.7 QB ALA 12 - HA3 GLY 14 far 14 92 15 - 3.7-7.3 QB ALA 16 - HA2 GLY 14 far 9 57 15 - 4.3-7.2 QB ALA 108 - HA2 GLY 111 far 0 76 0 - 4.8-9.0 HG2 LYS 19 - HA3 GLY 14 far 0 97 0 - 6.7-14.1 HG2 LYS 19 - HA2 GLY 14 far 0 97 0 - 7.7-13.3 HG3 LYS 31 - HA2 GLY 14 far 0 90 0 - 9.2-29.1 QB ALA 29 - HA2 GLY 14 far 0 99 0 - 9.9-24.6 HG3 LYS 31 - HA3 GLY 14 far 0 90 0 - 9.9-29.2 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 99 3.5-4.0 3556/3.6=64...(13) QD1 LEU 119 - HA2 GLY 111 far 11 76 15 - 3.5-9.2 QD1 LEU 62 - HA2 GLY 111 far 10 65 15 - 3.3-10.5 QG2 VAL 63 - HA2 GLY 111 far 0 59 0 - 5.6-10.9 QG1 VAL 57 - HA2 GLY 111 far 0 66 0 - 6.5-14.3 QG1 VAL 20 - HA2 GLY 14 far 0 73 0 - 6.9-13.3 QG1 VAL 20 - HA3 GLY 14 far 0 73 0 - 7.7-13.9 QG1 VAL 105 - HA3 GLY 14 far 0 63 0 - 8.5-40.4 QG1 VAL 105 - HA2 GLY 14 far 0 63 0 - 8.7-39.0 Violated in 9 structures by 0.04 A. Peak 10676 from cnoeabs.peaks (3.93, 4.28, 52.57 ppm; 3.95 A): 5 out of 31 assignments used, quality = 0.99: HA2 GLY 14 + HA ALA 15 OK 74 88 90 94 4.3-5.3 6117/3.0=35...(10) HA3 GLY 14 + HA ALA 15 OK 67 89 80 94 4.3-4.9 6117/3.0=36...(11) HA2 GLY 111 + HA ALA 110 OK 62 90 75 92 4.4-5.3 3.0/7577=55...(12) HA3 GLY 111 + HA ALA 110 OK 61 76 90 90 4.3-5.3 3.0/7577=55...(12) HB2 SER 107 + HA ALA 108 OK 60 92 70 93 4.5-5.8 7556/3.0=54, ~7555=28...(11) HB2 SER 107 - HA ALA 110 far 4 89 5 - 4.3-9.8 HB2 SER 107 - HA ALA 109 far 4 88 5 - 4.7-8.6 HD3 PRO 113 - HA ALA 109 far 4 86 5 - 3.8-11.3 HB3 SER 60 - HA ALA 110 far 3 70 5 - 4.6-15.6 HA3 GLY 111 - HA ALA 108 far 0 79 0 - 5.0-10.3 HB2 SER 60 - HA ALA 110 far 0 70 0 - 5.0-15.3 HA3 GLY 14 - HA ALA 16 far 0 98 0 - 5.1-8.0 HA2 GLY 111 - HA ALA 109 far 0 90 0 - 5.2-6.5 HA3 GLY 111 - HA ALA 109 far 0 75 0 - 5.3-7.2 HA2 GLY 14 - HA ALA 16 far 0 97 0 - 5.6-7.3 HD3 PRO 117 - HA ALA 109 far 0 60 0 - 5.8-12.7 HA2 GLY 111 - HA ALA 108 far 0 93 0 - 6.1-10.1 HB3 SER 60 - HA ALA 108 far 0 73 0 - 6.2-13.4 HB2 SER 60 - HA ALA 108 far 0 73 0 - 6.3-14.5 HA3 GLY 14 - HA ALA 12 far 0 81 0 - 6.3-8.3 HA2 GLY 14 - HA ALA 12 far 0 80 0 - 6.4-8.1 HA3 GLY 75 - HA ALA 16 far 0 71 0 - 7.1-35.7 HD3 PRO 117 - HA ALA 110 far 0 61 0 - 7.2-15.7 HD3 PRO 113 - HA ALA 108 far 0 90 0 - 7.4-13.6 HD3 PRO 117 - HA ALA 108 far 0 64 0 - 7.4-14.9 HB3 SER 60 - HA ALA 109 far 0 69 0 - 7.8-12.4 HD3 PRO 113 - HA ALA 110 far 0 87 0 - 8.1-10.1 HB2 SER 60 - HA ALA 109 far 0 69 0 - 8.3-13.6 HA3 GLY 75 - HA ALA 15 far 0 60 0 - 8.8-36.9 HB2 SER 60 - HA ALA 15 far 0 72 0 - 9.6-47.3 HA2 GLY 14 - HA ALA 21 far 0 68 0 - 9.8-16.4 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 18 assignments used, quality = 0.58: HB2 SER 33 + QB ALA 34 OK 41 46 90 100 4.4-5.0 1.8/10861=72...(11) HA2 GLY 111 + QB ALA 109 OK 29 44 75 87 3.5-6.0 10661/11548=37...(17) HA2 GLY 14 - QB ALA 16 poor 20 99 20 - 4.3-7.2 HA3 GLY 111 - QB ALA 109 poor 18 32 55 - 4.4-6.5 HA3 GLY 75 - QB ALA 34 poor 16 36 45 - 3.5-8.3 HB2 SER 107 - QB ALA 109 poor 9 45 20 - 3.5-8.1 HA3 GLY 14 - QB ALA 16 lone 5 99 40 13 4.2-7.9 10655/4.7=12 HD3 PRO 113 - QB ALA 109 far 2 40 5 - 3.6-10.4 HD3 PRO 117 - QB ALA 109 far 1 24 5 - 4.4-8.9 HA3 GLY 14 - QB ALA 34 far 0 52 0 - 5.2-30.1 HA2 GLY 14 - QB ALA 34 far 0 52 0 - 5.6-29.8 HB2 SER 60 - QB ALA 109 far 0 36 0 - 6.6-11.2 HB3 SER 60 - QB ALA 109 far 0 36 0 - 6.7-11.1 HA3 GLY 75 - QB ALA 16 far 0 78 0 - 7.2-29.1 HB2 SER 33 - QB ALA 16 far 0 93 0 - 8.4-24.0 HA ALA 41 - QB ALA 34 far 0 43 0 - 8.6-11.7 HB2 SER 94 - QB ALA 16 far 0 76 0 - 9.0-36.8 HB3 SER 60 - QB ALA 16 far 0 89 0 - 9.3-37.8 Violated in 5 structures by 0.12 A. Peak 10679 from cnoeabs.peaks (1.37, 3.96, 45.21 ppm; 4.06 A): 4 out of 18 assignments used, quality = 0.93: QB ALA 110 + HA3 GLY 111 OK 62 64 100 97 3.8-4.5 4.8=59, 7578/3.0=41...(17) HG2 LYS 19 + HA2 GLY 17 OK 58 99 95 62 2.8-5.0 10683/3.6=33...(4) HG2 LYS 19 + HA3 GLY 17 OK 39 99 70 56 2.6-5.6 10683/3.6=33...(4) QB ALA 109 + HA3 GLY 111 OK 25 56 55 82 4.4-6.5 10117/1.8=28...(13) QB ALA 15 - HA2 GLY 17 far 10 97 10 - 4.7-7.6 QB ALA 108 - HA3 GLY 111 far 3 62 5 - 3.5-9.3 QB ALA 15 - HA3 GLY 17 lone 1 97 30 5 4.3-7.3 6131/3.0=4 QB ALA 12 - HA3 GLY 17 far 0 96 0 - 6.0-14.6 QB ALA 12 - HA2 GLY 17 far 0 96 0 - 7.3-13.9 QB ALA 28 - HA2 GLY 17 far 0 96 0 - 7.8-18.1 HG3 LYS 31 - HA2 GLY 17 far 0 85 0 - 8.5-22.4 HG3 LYS 26 - HA2 GLY 17 far 0 97 0 - 8.6-20.4 HG3 LYS 31 - HA3 GLY 17 far 0 85 0 - 9.0-23.6 QB ALA 28 - HA3 GLY 17 far 0 96 0 - 9.1-18.8 HG2 LYS 24 - HA2 GLY 17 far 0 99 0 - 9.5-15.2 HG3 LYS 26 - HA3 GLY 17 far 0 97 0 - 9.5-20.4 HG2 LYS 24 - HA3 GLY 111 far 0 67 0 - 9.6-47.8 QB ALA 29 - HA2 GLY 17 far 0 98 0 - 9.7-21.1 Violated in 0 structures by 0.00 A. Peak 10680 from cnoeabs.peaks (0.92, 3.96, 45.21 ppm; 3.92 A): 1 out of 13 assignments used, quality = 0.68: QG2 VAL 112 + HA3 GLY 111 OK 68 69 100 98 3.9-4.6 10661/1.8=69...(10) QG1 VAL 20 - HA2 GLY 17 poor 20 96 60 35 2.8-6.9 10698/10699=18...(3) QG1 VAL 20 - HA3 GLY 17 poor 17 96 60 30 3.4-7.3 10698/10699=14...(3) QD1 LEU 62 - HA3 GLY 111 far 7 68 10 - 4.0-10.6 QG2 VAL 20 - HA2 GLY 17 far 6 63 10 - 3.5-8.8 QG2 VAL 20 - HA3 GLY 17 far 3 63 5 - 4.2-9.4 QD1 LEU 119 - HA3 GLY 111 far 2 48 5 - 3.9-9.4 QG2 VAL 63 - HA3 GLY 111 far 0 66 0 - 5.9-10.5 QG1 VAL 57 - HA3 GLY 111 far 0 35 0 - 5.9-13.2 QG1 VAL 118 - HA3 GLY 111 far 0 51 0 - 6.5-13.0 QD1 LEU 22 - HA2 GLY 17 far 0 71 0 - 7.0-11.8 QD1 LEU 22 - HA3 GLY 17 far 0 71 0 - 7.1-12.7 QD1 LEU 22 - HA3 GLY 111 far 0 42 0 - 7.6-43.4 Violated in 19 structures by 0.38 A. Peak 10682 from cnoeabs.peaks (2.31, 1.17, 21.38 ppm; 3.59 A): 0 out of 7 assignments used, quality = 0.00: HG2 GLU 30 - QG2 THR 25 far 5 50 10 - 3.0-13.0 HG3 GLU 30 - QG2 THR 25 far 2 46 5 - 4.3-12.9 HG2 GLN 61 - QG2 THR 25 far 2 39 5 - 2.4-32.5 HG2 GLU 30 - QG2 THR 18 far 0 81 0 - 6.0-19.0 HG3 GLU 30 - QG2 THR 18 far 0 76 0 - 6.7-19.1 HG2 GLU 44 - QG2 THR 25 far 0 35 0 - 7.2-27.0 HG3 GLN 68 - QG2 THR 25 far 0 59 0 - 7.4-27.5 Violated in 17 structures by 4.02 A. Peak 10685 from cnoeabs.peaks (0.90, 4.29, 61.95 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.65: QG1 VAL 20 + HA THR 18 OK 65 100 75 87 3.9-6.4 10698/226=76...(4) QG2 VAL 20 - HA THR 18 far 5 97 5 - 4.2-7.0 QD1 LEU 22 - HA THR 18 lone 0 99 25 1 3.6-11.0 Violated in 18 structures by 0.61 A. Peak 10686 from cnoeabs.peaks (1.35, 4.29, 61.95 ppm; 4.00 A): 2 out of 7 assignments used, quality = 0.85: HG2 LYS 19 + HA THR 18 OK 64 98 70 93 3.3-5.3 6151/226=47...(15) QB ALA 21 + HA THR 18 OK 59 93 95 67 1.8-5.6 10670/3.0=27...(5) QB ALA 15 - HA THR 18 far 3 65 5 - 4.0-9.7 HG2 LYS 24 - HA THR 18 far 0 73 0 - 6.1-13.0 QB ALA 12 - HA THR 18 far 0 100 0 - 6.4-15.6 QB ALA 28 - HA THR 18 far 0 63 0 - 8.1-17.7 QB ALA 29 - HA THR 18 far 0 71 0 - 8.8-20.4 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 10 assignments used, quality = 0.00: QD1 LEU 22 - HB THR 18 far 15 99 15 - 4.9-11.6 QD1 LEU 22 - HB THR 25 far 13 85 15 - 4.0-10.8 QG1 VAL 20 - HB THR 18 far 5 100 5 - 4.6-7.7 QD1 LEU 48 - HB THR 25 far 3 65 5 - 4.1-29.2 QG2 VAL 20 - HB THR 18 far 0 97 0 - 5.6-8.6 QD2 LEU 48 - HB THR 25 far 0 86 0 - 6.0-31.7 QG2 VAL 20 - HB THR 25 far 0 82 0 - 6.4-11.4 QG1 VAL 20 - HB THR 25 far 0 87 0 - 7.2-12.5 QG2 VAL 63 - HB THR 25 far 0 85 0 - 8.5-32.3 QD1 LEU 49 - HB THR 25 far 0 83 0 - 9.7-33.3 Violated in 18 structures by 0.74 A. Peak 10688 from cnoeabs.peaks (1.36, 4.19, 69.66 ppm; 5.39 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 19 + HB THR 18 OK 100 100 100 100 4.4-5.7 4.9/6146=73, ~10696=71...(21) HG3 LYS 26 + HB THR 25 OK 72 73 100 99 2.8-6.2 11150/3.0=82...(26) QB ALA 21 + HB THR 18 OK 60 76 100 79 3.0-5.9 10686/3.0=42...(5) HG2 LYS 24 + HB THR 25 OK 34 76 45 100 5.1-7.8 6234/6241=86, ~10697=68...(20) QB ALA 15 - HB THR 18 far 13 87 15 - 1.9-10.8 QB ALA 28 - HB THR 25 far 10 69 15 - 4.7-9.6 QB ALA 12 - HB THR 18 far 5 100 5 - 4.9-15.9 QB ALA 29 - HB THR 25 far 4 74 5 - 3.6-11.4 HG3 LYS 31 - HB THR 18 far 3 68 5 - 5.7-24.1 QB ALA 28 - HB THR 18 far 0 85 0 - 6.7-17.8 HG2 LYS 24 - HB THR 18 far 0 92 0 - 7.2-14.9 HG3 LYS 31 - HB THR 25 far 0 54 0 - 7.5-17.5 QB ALA 21 - HB THR 25 far 0 60 0 - 8.6-12.6 QB ALA 29 - HB THR 18 far 0 90 0 - 8.7-21.5 Violated in 0 structures by 0.00 A. Peak 10691 from cnoeabs.peaks (1.39, 4.20, 69.83 ppm; 4.39 A): 2 out of 13 assignments used, quality = 0.87: HG3 LYS 26 + HB THR 25 OK 83 99 85 98 2.8-6.2 11150/3.0=75...(21) HG2 LYS 19 + HB THR 18 OK 23 60 40 96 4.4-5.7 4.9/6146=49, ~10696=48...(16) QB ALA 15 - HB THR 18 far 13 87 15 - 1.9-10.8 QB ALA 28 - HB THR 25 far 10 100 10 - 4.7-9.6 QB ALA 29 - HB THR 25 far 5 99 5 - 3.6-11.4 HG2 LYS 24 - HB THR 25 far 5 99 5 - 5.1-7.8 QB ALA 16 - HB THR 18 lone 2 73 55 6 2.7-7.9 10878/6140=3, 213/4.6=2 QB ALA 12 - HB THR 18 far 2 49 5 - 4.9-15.9 HG3 LYS 31 - HB THR 18 far 0 87 0 - 5.7-24.1 QB ALA 28 - HB THR 18 far 0 87 0 - 6.7-17.8 HG2 LYS 24 - HB THR 18 far 0 85 0 - 7.2-14.9 HG3 LYS 31 - HB THR 25 far 0 100 0 - 7.5-17.5 QB ALA 29 - HB THR 18 far 0 85 0 - 8.7-21.5 Violated in 3 structures by 0.02 A. Peak 10692 from cnoeabs.peaks (1.64, 4.20, 69.83 ppm; 4.53 A): 3 out of 18 assignments used, quality = 0.68: HD2 LYS 19 + HB THR 18 OK 46 79 60 97 3.9-7.5 10696/2.1=89...(14) HD2 LYS 26 + HB THR 25 OK 25 73 35 97 3.0-7.8 2.9/10691=52...(45) HD3 LYS 19 + HB THR 18 OK 22 79 30 93 4.4-7.4 ~10696=71, 6.2/6146=35...(17) HD3 LYS 26 - HB THR 25 poor 16 78 20 - 3.9-7.6 HD3 LYS 24 - HB THR 25 poor 15 73 20 - 3.8-8.3 HB3 LEU 22 - HB THR 18 far 7 69 10 - 4.3-10.9 HD2 LYS 24 - HB THR 25 far 4 71 5 - 5.2-9.4 HG LEU 22 - HB THR 18 far 0 69 0 - 5.7-13.2 HG3 ARG 23 - HB THR 25 far 0 97 0 - 5.8-10.9 HD3 LYS 31 - HB THR 18 far 0 58 0 - 6.3-25.4 HG LEU 22 - HB THR 25 far 0 85 0 - 6.4-12.8 HB3 LEU 22 - HB THR 25 far 0 85 0 - 6.4-11.3 HG3 ARG 23 - HB THR 18 far 0 83 0 - 6.9-14.5 HD2 LYS 31 - HB THR 18 far 0 56 0 - 7.3-25.6 HD2 LYS 24 - HB THR 18 far 0 56 0 - 7.5-17.5 HD2 LYS 31 - HB THR 25 far 0 71 0 - 7.8-17.6 HD3 LYS 24 - HB THR 18 far 0 58 0 - 8.7-17.5 HD3 LYS 31 - HB THR 25 far 0 73 0 - 8.9-17.2 Violated in 6 structures by 0.19 A. Peak 10693 from cnoeabs.peaks (1.76, 4.20, 69.83 ppm; 4.26 A): 2 out of 10 assignments used, quality = 0.85: HB2 LYS 24 + HB THR 25 OK 80 98 85 96 3.1-7.1 6232/6241=74, ~10697=60...(11) HB2 LYS 26 + HB THR 25 OK 24 99 25 99 3.7-6.9 6250/6247=85...(22) HB2 LYS 19 - HB THR 18 far 13 86 15 - 4.5-6.2 HB2 ARG 23 - HB THR 25 far 0 100 0 - 6.7-9.9 HB2 ARG 23 - HB THR 18 far 0 88 0 - 7.3-12.7 HB2 LEU 48 - HB THR 25 far 0 71 0 - 7.7-36.9 HB2 LYS 31 - HB THR 25 far 0 95 0 - 8.3-14.8 HB2 LYS 31 - HB THR 18 far 0 79 0 - 8.5-22.1 HB2 LYS 24 - HB THR 18 far 0 84 0 - 8.9-16.1 HB2 LYS 19 - HB THR 25 far 0 99 0 - 9.6-18.5 Violated in 8 structures by 0.19 A. Peak 10694 from cnoeabs.peaks (2.02, 4.20, 69.83 ppm; 4.82 A): 0 out of 11 assignments used, quality = 0.00: QE MET 11 - HB THR 25 far 4 87 5 - 4.8-29.4 HB VAL 20 - HB THR 18 far 3 65 5 - 4.3-9.3 HB3 GLU 30 - HB THR 18 far 0 87 0 - 7.1-23.9 QE MET 11 - HB THR 18 far 0 71 0 - 7.2-19.3 HG2 PRO 58 - HB THR 25 far 0 100 0 - 7.5-41.3 HB3 GLU 30 - HB THR 25 far 0 100 0 - 7.6-14.8 HB VAL 63 - HB THR 25 far 0 100 0 - 8.3-37.6 HB3 MET 11 - HB THR 25 far 0 100 0 - 9.1-33.4 HB2 GLU 44 - HB THR 25 far 0 100 0 - 9.2-32.6 HB VAL 20 - HB THR 25 far 0 81 0 - 9.7-14.6 HB3 MET 11 - HB THR 18 far 0 88 0 - 9.7-20.4 Violated in 18 structures by 2.35 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: HG3 GLN 27 - HB THR 25 poor 16 81 20 - 4.5-11.1 HG2 GLN 27 - HB THR 25 far 9 92 10 - 4.8-10.4 HG3 GLU 30 - HB THR 18 far 4 86 5 - 5.9-23.1 HG3 GLU 30 - HB THR 25 far 0 99 0 - 7.3-14.6 HG3 GLN 68 - HB THR 25 far 0 93 0 - 9.5-32.2 Violated in 18 structures by 2.01 A. Peak 10696 from cnoeabs.peaks (1.65, 1.17, 21.38 ppm; 3.27 A): 1 out of 27 assignments used, quality = 0.40: HD2 LYS 19 + QG2 THR 18 OK 40 100 65 62 3.3-7.6 10692/2.1=16...(15) HD3 LYS 24 - QG2 THR 25 poor 19 62 30 - 2.0-6.4 HD2 LYS 26 - QG2 THR 25 poor 15 62 25 - 3.8-6.6 HB3 LEU 22 - QG2 THR 18 poor 14 57 25 - 3.3-8.5 HD3 LYS 19 - QG2 THR 18 far 10 100 10 - 3.5-7.1 HD3 LYS 31 - QG2 THR 18 far 5 95 5 - 3.3-20.4 HD2 LYS 31 - QG2 THR 18 far 5 93 5 - 4.0-20.4 HD2 LYS 24 - QG2 THR 25 far 3 60 5 - 3.3-7.0 HG LEU 22 - QG2 THR 18 far 3 57 5 - 3.6-10.3 HG3 ARG 23 - QG2 THR 25 far 2 50 5 - 4.2-9.2 HD2 LYS 24 - QG2 THR 18 far 0 93 0 - 4.2-14.3 HG LEU 22 - QG2 THR 25 far 0 33 0 - 4.6-10.2 HD3 LYS 26 - QG2 THR 25 far 0 64 0 - 4.8-6.7 HD3 LYS 24 - QG2 THR 18 far 0 95 0 - 5.2-14.4 HB3 LEU 22 - QG2 THR 25 far 0 33 0 - 5.9-9.7 HG3 ARG 23 - QG2 THR 18 far 0 81 0 - 6.1-12.1 HG LEU 62 - QG2 THR 25 far 0 70 0 - 6.9-35.9 HD2 LYS 36 - QG2 THR 18 far 0 76 0 - 8.2-22.0 HD3 LYS 31 - QG2 THR 25 far 0 62 0 - 8.2-16.2 HD3 LYS 36 - QG2 THR 18 far 0 76 0 - 8.4-22.5 HD2 LYS 31 - QG2 THR 25 far 0 60 0 - 8.5-16.5 HD2 LYS 36 - QG2 THR 25 far 0 46 0 - 8.5-18.2 HD2 LYS 19 - QG2 THR 25 far 0 70 0 - 8.8-15.8 HD2 LYS 26 - QG2 THR 18 far 0 95 0 - 8.9-18.9 HD3 LYS 19 - QG2 THR 25 far 0 70 0 - 9.3-15.8 HD3 LYS 26 - QG2 THR 18 far 0 97 0 - 9.3-18.6 HD3 LYS 36 - QG2 THR 25 far 0 46 0 - 9.8-19.5 Violated in 20 structures by 1.19 A. Peak 10697 from cnoeabs.peaks (1.83, 1.17, 21.38 ppm; 3.60 A): 1 out of 14 assignments used, quality = 0.47: HB3 LYS 24 + QG2 THR 25 OK 47 56 95 88 3.5-4.8 6233/6242=47, ~10693=28...(18) HB3 LYS 19 - QG2 THR 18 far 8 85 10 - 4.4-6.9 HB3 LYS 26 - QG2 THR 25 far 6 63 10 - 4.3-6.9 HB3 LYS 31 - QG2 THR 18 far 0 85 0 - 4.6-18.5 HB3 ARG 23 - QG2 THR 25 far 0 67 0 - 5.3-7.9 HB ILE 32 - QG2 THR 25 far 0 62 0 - 5.6-14.9 HB3 LYS 24 - QG2 THR 18 far 0 89 0 - 6.2-14.0 HB3 LYS 31 - QG2 THR 25 far 0 53 0 - 6.4-13.7 HB3 LYS 19 - QG2 THR 25 far 0 53 0 - 6.6-13.5 HB3 ARG 23 - QG2 THR 18 far 0 99 0 - 6.8-11.5 HB ILE 32 - QG2 THR 18 far 0 95 0 - 7.6-22.0 HB2 LYS 36 - QG2 THR 25 far 0 60 0 - 7.8-16.8 HB3 LYS 26 - QG2 THR 18 far 0 96 0 - 8.6-16.5 HB2 LYS 36 - QG2 THR 18 far 0 93 0 - 9.5-22.9 Violated in 16 structures by 0.25 A. Peak 10703 from cnoeabs.peaks (0.89, 1.38, 24.62 ppm; 3.82 A): 2 out of 19 assignments used, quality = 0.84: QG1 VAL 20 + HG2 LYS 19 OK 65 65 100 100 2.1-3.6 10714=87, 2.1/10683=59...(20) QD1 LEU 22 + HG2 LYS 24 OK 54 100 70 77 1.9-6.3 10712/1.8=25...(13) QG2 VAL 20 - HG2 LYS 19 poor 19 77 25 - 2.7-6.1 QG2 VAL 20 - HG2 LYS 24 far 5 100 5 - 3.7-9.0 QG2 VAL 20 - HG3 LYS 26 far 5 99 5 - 3.7-13.1 QG1 VAL 20 - HG3 LYS 26 far 4 89 5 - 4.4-13.6 QG2 VAL 20 - HG3 LYS 31 far 4 86 5 - 4.6-17.2 QD1 LEU 22 - HG3 LYS 31 far 4 86 5 - 4.6-22.0 QG1 VAL 20 - HG3 LYS 31 far 4 74 5 - 3.9-16.8 QD1 LEU 22 - HG3 LYS 26 far 0 99 0 - 4.9-12.9 QG1 VAL 20 - HG2 LYS 24 far 0 92 0 - 5.6-10.6 QD1 LEU 22 - HG2 LYS 19 far 0 77 0 - 5.9-10.5 QD2 LEU 48 - HG3 LYS 26 far 0 88 0 - 7.5-31.6 QD2 LEU 69 - HG2 LYS 36 far 0 51 0 - 8.0-13.5 QG2 VAL 20 - HG2 LYS 36 far 0 77 0 - 8.3-23.3 QD2 LEU 48 - HG2 LYS 24 far 0 90 0 - 9.0-31.7 QG1 VAL 20 - HG2 LYS 36 far 0 65 0 - 9.1-23.7 QG2 VAL 63 - HG2 LYS 24 far 0 87 0 - 9.6-34.2 QD1 LEU 49 - HG2 LYS 36 far 0 57 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (0.93, 2.96, 41.80 ppm; 3.99 A): 4 out of 37 assignments used, quality = 0.95: QG2 ILE 37 + HE2 LYS 36 OK 72 96 80 94 2.4-5.5 10820/4.0=51...(17) QG2 ILE 37 + HE3 LYS 36 OK 61 99 65 94 2.7-5.4 10820/4.0=51...(17) QG1 VAL 20 + HE3 LYS 19 OK 34 76 70 63 3.1-6.4 10714/3.8=39...(4) QG1 VAL 20 + HE2 LYS 19 OK 32 72 70 63 3.1-5.5 10714/3.8=39...(4) QD1 LEU 48 - HE2 LYS 26 far 5 98 5 - 4.7-30.3 QG1 VAL 20 - HE2 LYS 26 far 4 75 5 - 2.0-15.3 QG1 VAL 20 - HE3 LYS 26 far 4 75 5 - 3.5-15.0 QD2 LEU 48 - HE2 LYS 26 far 0 77 0 - 5.1-32.6 QG1 VAL 20 - HE3 LYS 31 far 0 75 0 - 5.3-16.1 QG2 ILE 37 - HE3 LYS 19 far 0 100 0 - 5.9-22.6 QG2 ILE 37 - HE2 LYS 19 far 0 97 0 - 5.9-23.9 QG2 ILE 37 - HE3 LYS 26 far 0 99 0 - 5.9-22.5 QD1 LEU 48 - HE3 LYS 26 far 0 98 0 - 6.0-31.0 QD2 LEU 48 - HE3 LYS 26 far 0 77 0 - 6.0-33.3 QG1 VAL 20 - HE2 LYS 31 far 0 76 0 - 6.0-14.9 QG1 VAL 20 - HE3 LYS 24 far 0 75 0 - 6.9-12.5 QG2 ILE 37 - HE2 LYS 26 far 0 99 0 - 7.0-22.8 QD1 LEU 48 - HE2 LYS 24 far 0 92 0 - 7.0-31.1 QG1 VAL 20 - HE2 LYS 24 far 0 66 0 - 7.1-13.4 QD1 LEU 48 - HE3 LYS 24 far 0 98 0 - 7.2-30.0 QD1 LEU 48 - HE3 LYS 36 far 0 98 0 - 7.6-11.9 QD2 LEU 48 - HE2 LYS 24 far 0 69 0 - 7.8-32.5 QG1 VAL 57 - HE3 LYS 26 far 0 86 0 - 7.8-38.6 QG1 VAL 105 - HE3 LYS 24 far 0 59 0 - 7.9-37.0 QG1 VAL 57 - HE2 LYS 26 far 0 86 0 - 8.2-37.7 QD2 LEU 48 - HE3 LYS 24 far 0 77 0 - 8.4-31.4 QD1 LEU 48 - HE2 LYS 36 far 0 95 0 - 8.6-11.7 QG1 VAL 20 - HE3 LYS 86 far 0 73 0 - 9.0-33.4 QD1 LEU 49 - HE2 LYS 26 far 0 86 0 - 9.1-34.1 QG1 VAL 105 - HE2 LYS 24 far 0 52 0 - 9.3-37.6 QD1 LEU 49 - HE2 LYS 36 far 0 81 0 - 9.6-14.6 QG2 ILE 37 - HE2 LYS 31 far 0 100 0 - 9.8-13.6 QG2 ILE 37 - HE3 LYS 31 far 0 99 0 - 9.8-13.9 QD1 LEU 49 - HE3 LYS 26 far 0 86 0 - 9.8-33.1 QG1 VAL 20 - HE2 LYS 36 far 0 70 0 - 9.9-21.3 QG1 VAL 57 - HE2 LYS 24 far 0 77 0 - 9.9-38.2 QD1 LEU 49 - HE3 LYS 36 far 0 86 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 10706 from cnoeabs.peaks (1.76, 3.99, 62.40 ppm; 4.75 A): 2 out of 14 assignments used, quality = 0.89: HB2 ARG 23 + HA VAL 20 OK 83 99 90 93 1.9-7.6 6203/11783=60...(16) HB2 LYS 19 + HA VAL 20 OK 33 95 35 100 5.4-5.9 6161/3.0=78, ~6162=58...(24) HB2 LEU 48 - HB3 SER 51 far 6 58 10 - 5.4-6.6 HB2 LYS 31 - HA VAL 20 far 4 83 5 - 5.6-16.3 HB3 LEU 98 - HB3 SER 94 far 3 26 10 - 5.2-8.4 HB2 LYS 24 - HA VAL 20 far 0 90 0 - 6.1-11.4 HB2 LEU 48 - HA SER 50 far 0 78 0 - 7.2-8.5 HG13 ILE 129 - HB3 SER 94 far 0 30 0 - 7.8-10.3 HB2 LYS 26 - HA VAL 20 far 0 95 0 - 7.9-15.8 HG13 ILE 129 - HB2 SER 124 far 0 74 0 - 9.1-11.1 HG13 ILE 129 - HA SER 50 far 0 76 0 - 9.4-13.7 HB3 LEU 98 - HB2 SER 124 far 0 68 0 - 9.5-13.5 HG LEU 100 - HA SER 50 far 0 85 0 - 9.7-12.4 HG LEU 100 - HB2 SER 124 far 0 83 0 - 9.9-12.8 Violated in 3 structures by 0.06 A. Peak 10707 from cnoeabs.peaks (1.83, 3.99, 62.40 ppm; 4.83 A): 4 out of 11 assignments used, quality = 1.00: HB3 LYS 19 + HA VAL 20 OK 89 89 100 100 3.9-4.7 6162/3.0=76, ~6161=59...(24) HB3 LEU 123 + HA SER 50 OK 80 80 100 100 2.6-5.5 3.2/11772=88...(20) HB3 ARG 23 + HA VAL 20 OK 67 99 70 96 3.6-8.9 6204/11783=61...(16) HB VAL 93 + HB3 SER 94 OK 35 41 85 100 4.6-6.0 7281/3.6=78, ~11420=71...(13) HB3 LYS 24 - HA VAL 20 far 5 92 5 - 5.4-12.4 HB3 LYS 31 - HA VAL 20 far 4 89 5 - 4.0-17.5 HB3 LEU 123 - HB2 SER 124 far 0 78 0 - 5.9-7.3 HB ILE 32 - HA VAL 20 far 0 97 0 - 6.0-20.4 HB3 LYS 26 - HA VAL 20 far 0 97 0 - 7.6-15.7 HB3 LEU 123 - HB3 SER 51 far 0 60 0 - 7.8-10.8 HB2 LEU 100 - HB2 SER 124 far 0 91 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (1.57, 3.99, 62.40 ppm; 4.77 A): 4 out of 10 assignments used, quality = 0.97: HG LEU 123 + HA SER 50 OK 80 94 85 100 2.4-5.9 2.1/11772=98...(23) HG2 ARG 23 + HA VAL 20 OK 64 100 70 92 3.6-8.8 6205/11783=53...(12) HG LEU 49 + HA SER 50 OK 33 94 35 100 3.4-6.6 6620/2.9=53, ~6619=42...(28) HG LEU 123 + HB2 SER 124 OK 32 92 35 98 4.6-7.6 7765/7769=68, ~10372=65...(13) HB2 LEU 22 - HA VAL 20 poor 17 68 25 - 4.8-6.8 HG LEU 49 - HB3 SER 51 far 0 74 0 - 6.7-8.5 HB2 LEU 119 - HA SER 50 far 0 62 0 - 7.3-9.3 HG LEU 123 - HB3 SER 51 far 0 73 0 - 8.0-11.4 HG13 ILE 37 - HA VAL 20 far 0 98 0 - 9.3-27.2 HG LEU 49 - HB2 SER 124 far 0 93 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 10709 from cnoeabs.peaks (1.34, 3.99, 62.40 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 21 + HA VAL 20 OK 100 100 100 100 4.0-4.8 6181/6176=96...(17) HG2 LYS 19 + HA VAL 20 OK 72 81 90 100 4.1-5.8 ~6164=43, ~6162=39...(20) QB ALA 46 - HA SER 50 far 0 94 0 - 5.9-7.4 QB ALA 12 - HA VAL 20 far 0 90 0 - 7.7-18.7 QB ALA 46 - HB3 SER 51 far 0 74 0 - 7.9-9.6 QB ALA 46 - HB2 SER 124 far 0 93 0 - 9.4-10.2 Violated in 1 structures by 0.00 A. Peak 10711 from cnoeabs.peaks (1.36, 2.00, 32.56 ppm; 4.48 A): 2 out of 9 assignments used, quality = 0.98: HG2 LYS 19 + HB VAL 20 OK 90 100 90 100 4.0-5.9 10714/2.1=87, ~10712=49...(16) QB ALA 21 + HB VAL 20 OK 80 81 100 99 4.3-5.3 2.9/6177=80, ~353=47...(10) QB ALA 29 - HB VAL 20 far 4 87 5 - 4.2-18.1 HG3 LYS 31 - HB VAL 20 far 3 63 5 - 4.6-21.2 HG3 LYS 26 - HB VAL 20 far 0 85 0 - 5.6-16.1 QB ALA 15 - HB VAL 20 far 0 83 0 - 6.1-12.6 QB ALA 28 - HB VAL 20 far 0 81 0 - 6.5-16.7 HG2 LYS 24 - HB VAL 20 far 0 89 0 - 6.9-11.4 QB ALA 12 - HB VAL 20 far 0 100 0 - 8.8-18.0 Violated in 1 structures by 0.00 A. Peak 10712 from cnoeabs.peaks (1.80, 0.91, 20.62 ppm; 3.41 A): 1 out of 7 assignments used, quality = 0.91: HB3 LYS 19 + QG1 VAL 20 OK 91 93 100 98 2.5-3.5 3.0/10714=57...(18) HB3 LYS 31 - QG1 VAL 20 far 5 93 5 - 3.0-15.8 HB3 LYS 24 - QG1 VAL 20 far 5 90 5 - 3.9-11.4 HB ILE 32 - QG1 VAL 20 far 4 83 5 - 3.6-18.9 HB3 ARG 23 - QG1 VAL 20 far 0 71 0 - 4.4-7.6 HB3 LYS 26 - QG1 VAL 20 far 0 81 0 - 5.0-14.5 HB2 LYS 36 - QG1 VAL 20 far 0 85 0 - 7.0-21.9 Violated in 8 structures by 0.03 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 poor 12 60 20 - 3.4-8.5 HG2 ARG 23 - QG1 VAL 20 far 4 81 5 - 4.2-8.3 HB3 LEU 22 - QG1 VAL 20 far 0 83 0 - 4.9-8.3 HG LEU 22 - QG1 VAL 20 far 0 83 0 - 6.2-9.6 Violated in 20 structures by 1.40 A. Peak 10714 from cnoeabs.peaks (1.37, 0.91, 20.62 ppm; 3.16 A): 1 out of 10 assignments used, quality = 0.94: HG2 LYS 19 + QG1 VAL 20 OK 94 97 100 97 2.1-3.6 3.0/10712=46...(21) QB ALA 16 - QG1 VAL 20 far 6 57 10 - 2.0-9.0 QB ALA 29 - QG1 VAL 20 far 5 99 5 - 3.6-14.8 HG3 LYS 31 - QG1 VAL 20 far 5 90 5 - 3.9-16.8 HG3 LYS 26 - QG1 VAL 20 far 0 99 0 - 4.4-13.6 QB ALA 28 - QG1 VAL 20 far 0 98 0 - 5.1-13.8 QB ALA 15 - QG1 VAL 20 far 0 99 0 - 5.5-9.3 HG2 LYS 24 - QG1 VAL 20 far 0 100 0 - 5.6-10.6 QB ALA 12 - QG1 VAL 20 far 0 92 0 - 5.8-14.1 HG2 LYS 36 - QG1 VAL 20 far 0 99 0 - 9.1-23.7 Violated in 3 structures by 0.05 A. Peak 10720 from cnoeabs.peaks (1.19, 4.27, 55.17 ppm; 4.91 A): 0 out of 3 assignments used, quality = 0.00: QG2 THR 25 - HA LEU 22 far 10 100 10 - 4.8-9.6 QG2 THR 18 - HA LEU 22 far 9 93 10 - 5.4-9.2 HG12 ILE 32 - HA LEU 22 far 0 76 0 - 7.0-20.9 Violated in 18 structures by 1.41 A. Peak 10725 from cnoeabs.peaks (4.03, 0.84, 23.38 ppm; 4.23 A): 0 out of 1 assignment used, quality = 0.00: HA SER 60 - QD2 LEU 22 far 0 87 0 - 9.6-36.1 Violated in 20 structures by 18.97 A. Peak 10727 from cnoeabs.peaks (0.89, 4.29, 55.99 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.92: QD1 LEU 22 + HA ARG 23 OK 70 100 70 100 4.0-6.9 4.9/10728=59, ~6200=42...(22) QG2 VAL 20 + HA ARG 23 OK 67 100 70 96 2.2-5.7 6201/2.9=36, ~11783=31...(17) QG1 VAL 20 + HA ARG 23 OK 20 90 25 90 4.0-6.6 ~11783=31, 2.1/10688=25...(12) Violated in 1 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 poor 14 95 25 58 3.8-4.3 4.6/6202=15, ~375=14...(11) H ILE 32 - HA ARG 23 far 0 100 0 - 7.5-18.7 Violated in 20 structures by 0.97 A. Peak 10729 from cnoeabs.peaks (1.36, 3.17, 43.21 ppm; 4.56 A): 0 out of 19 assignments used, quality = 0.00: QB ALA 21 - HD3 ARG 23 far 11 73 15 - 4.6-9.2 HG2 LYS 19 - HD2 ARG 23 far 5 100 5 - 5.3-11.0 HG2 LYS 24 - HD2 ARG 23 far 5 93 5 - 5.4-9.0 HG2 LYS 24 - HD3 ARG 23 far 5 93 5 - 5.4-9.0 QB ALA 29 - HD2 ARG 23 far 5 92 5 - 3.9-18.1 QB ALA 29 - HD3 ARG 23 far 5 92 5 - 4.6-17.3 QB ALA 28 - HD2 ARG 23 far 4 87 5 - 3.8-15.1 QB ALA 28 - HD3 ARG 23 far 4 87 5 - 4.6-15.0 QB ALA 21 - HD2 ARG 23 far 4 73 5 - 5.3-9.0 HG3 LYS 26 - HD3 ARG 23 far 0 90 0 - 5.6-13.5 HG3 LYS 26 - HD2 ARG 23 far 0 90 0 - 5.6-13.0 HG3 LYS 31 - HD3 ARG 23 far 0 71 0 - 5.7-19.7 HG2 LYS 19 - HD3 ARG 23 far 0 100 0 - 5.9-11.2 HG3 LYS 31 - HD2 ARG 23 far 0 71 0 - 6.0-19.6 QB ALA 15 - HD2 ARG 23 far 0 89 0 - 7.7-16.6 QB ALA 15 - HD3 ARG 23 far 0 89 0 - 8.3-15.3 HG2 LYS 95 - HD2 ARG 90 far 0 67 0 - 9.1-14.2 HG2 LYS 95 - HD3 ARG 90 far 0 68 0 - 9.3-13.6 QB ALA 46 - HD3 ARG 90 far 0 63 0 - 9.6-13.7 Violated in 15 structures by 0.58 A. Peak 10748 from cnoeabs.peaks (0.88, 1.75, 32.72 ppm; 4.21 A): 2 out of 20 assignments used, quality = 0.82: QG1 VAL 20 + HB2 LYS 19 OK 67 67 100 100 3.9-4.9 4.0/6161=54...(19) QD1 LEU 22 + HB2 LYS 24 OK 45 94 65 74 2.7-7.4 10703/2.9=29...(8) QG2 ILE 32 - HB2 LYS 26 poor 20 65 30 - 3.9-11.9 QG2 VAL 20 - HB2 LYS 31 far 9 91 10 - 4.5-15.2 QD1 LEU 22 - HB2 LYS 31 far 9 88 10 - 4.4-19.7 QG2 VAL 20 - HB2 LYS 26 far 5 97 5 - 4.8-13.1 QG2 VAL 20 - HB2 LYS 19 far 5 97 5 - 5.0-6.8 QG2 VAL 20 - HB2 LYS 24 far 5 97 5 - 4.2-9.8 QG1 VAL 20 - HB2 LYS 26 far 3 68 5 - 4.2-13.3 QG1 VAL 20 - HB2 LYS 31 far 3 61 5 - 4.1-15.2 QG2 ILE 32 - HB2 LYS 24 far 0 64 0 - 5.2-17.4 QG2 ILE 32 - HB2 LYS 31 far 0 59 0 - 5.4-6.6 QG1 VAL 20 - HB2 LYS 24 far 0 67 0 - 5.4-11.1 QG2 ILE 32 - HB2 LYS 19 far 0 65 0 - 5.5-18.0 QD1 LEU 22 - HB2 LYS 19 far 0 94 0 - 5.9-11.3 QD1 LEU 22 - HB2 LYS 26 far 0 95 0 - 6.4-12.7 QD2 LEU 48 - HB2 LYS 24 far 0 64 0 - 7.3-31.7 QD2 LEU 48 - HB2 LYS 26 far 0 65 0 - 7.8-30.1 QG2 VAL 63 - HB2 LYS 24 far 0 59 0 - 8.4-33.8 QG2 VAL 57 - HB2 LYS 24 far 0 84 0 - 9.7-37.1 Violated in 3 structures by 0.01 A. Peak 10749 from cnoeabs.peaks (1.18, 1.82, 32.72 ppm; 4.64 A): 6 out of 17 assignments used, quality = 1.00: QG2 THR 25 + HB3 LYS 24 OK 93 93 100 100 3.5-4.8 10697=93, 6242/6233=84...(19) QG2 THR 18 + HB3 LYS 19 OK 85 96 90 99 4.4-6.9 10696/3.9=72...(17) QB ALA 41 + HB2 LYS 36 OK 39 95 45 90 3.8-6.8 10904/6404=55...(7) QG2 THR 25 + HB3 LYS 26 OK 38 96 40 99 4.3-6.9 6248/6251=81...(25) HG12 ILE 32 + HB3 LYS 26 OK 31 95 40 81 3.3-11.4 10767/3.5=51...(11) HG12 ILE 32 + HB3 LYS 31 OK 30 88 35 97 5.2-6.7 6354/4.6=61...(25) QG2 THR 18 - HB3 LYS 31 far 5 95 5 - 4.6-18.5 HG12 ILE 32 - HB2 LYS 36 far 4 88 5 - 4.9-9.6 HG12 ILE 32 - HB3 LYS 19 far 4 88 5 - 4.9-18.7 QG2 THR 18 - HB3 LYS 24 far 0 98 0 - 6.2-14.0 QG2 THR 25 - HB3 LYS 31 far 0 89 0 - 6.4-13.7 QG2 THR 25 - HB3 LYS 19 far 0 90 0 - 6.6-13.5 HG12 ILE 32 - HB3 LYS 24 far 0 92 0 - 6.7-19.0 QG2 THR 25 - HB2 LYS 36 far 0 90 0 - 7.8-16.8 QG2 THR 18 - HB3 LYS 26 far 0 100 0 - 8.6-16.5 QG2 THR 18 - HB2 LYS 36 far 0 96 0 - 9.5-22.9 QG2 VAL 77 - HB3 LYS 19 far 0 95 0 - 9.8-28.9 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 = 0.88: QD1 ILE 37 + HB2 LYS 36 OK 84 84 100 100 3.3-3.9 6417/6404=62...(20) QD1 ILE 32 + HB3 LYS 26 OK 24 87 45 62 1.9-9.5 10704/3.0=21...(11) QD1 ILE 32 - HB3 LYS 19 far 4 80 5 - 2.7-17.6 QD1 ILE 32 - HB2 LYS 36 far 4 80 5 - 4.7-8.1 QD1 ILE 37 - HB3 LYS 19 far 0 84 0 - 5.5-19.3 QD1 ILE 32 - HB3 LYS 31 far 0 80 0 - 5.8-7.6 QD1 ILE 32 - HB3 LYS 24 far 0 84 0 - 5.9-15.9 QD1 ILE 37 - HB3 LYS 26 far 0 90 0 - 6.9-17.7 QD1 LEU 70 - HB3 LYS 24 far 0 70 0 - 8.2-30.8 QG1 VAL 63 - HB3 LYS 24 far 0 93 0 - 9.1-32.5 QD1 ILE 37 - HB3 LYS 31 far 0 83 0 - 9.3-11.3 QD1 LEU 70 - HB3 LYS 19 far 0 67 0 - 9.9-26.3 Violated in 0 structures by 0.00 A. Peak 10753 from cnoeabs.peaks (0.78, 4.27, 56.60 ppm; 4.66 A): 1 out of 9 assignments used, quality = 0.83: QD1 ILE 37 + HA LYS 36 OK 83 83 100 100 4.6-5.1 6417/6403=82...(21) QD1 ILE 32 - HA LYS 26 poor 17 100 30 56 4.0-10.6 10704/4.0=18...(9) QD1 ILE 32 - HA LYS 19 far 5 100 5 - 4.5-19.4 QD1 ILE 32 - HA LYS 31 far 0 89 0 - 5.8-6.5 QD1 ILE 32 - HA LYS 36 far 0 83 0 - 6.6-9.2 QD1 ILE 37 - HA LYS 19 far 0 100 0 - 6.6-20.0 QD1 ILE 37 - HA LYS 26 far 0 100 0 - 8.0-17.9 QD1 ILE 37 - HA LYS 31 far 0 89 0 - 8.6-9.7 QD2 LEU 43 - HA LYS 36 far 0 56 0 - 9.5-13.4 Violated in 19 structures by 0.32 A. Peak 10756 from cnoeabs.peaks (0.89, 1.43, 24.54 ppm; 3.69 A): 3 out of 15 assignments used, quality = 0.85: QG1 VAL 20 + HG3 LYS 19 OK 66 67 100 99 1.9-3.2 10714/1.8=64...(19) QD1 LEU 22 + HG3 LYS 24 OK 41 79 70 75 2.1-6.8 10703/1.8=31...(12) QG2 VAL 20 + HG3 LYS 19 OK 26 87 30 98 3.4-5.3 ~10714=51, ~10683=40...(18) QG2 VAL 20 - HG2 LYS 31 far 8 82 10 - 3.7-16.7 QG2 VAL 20 - HG2 LYS 26 far 5 100 5 - 3.7-13.8 QG1 VAL 20 - HG2 LYS 26 far 4 83 5 - 4.2-14.2 QG2 VAL 20 - HG3 LYS 24 far 4 81 5 - 3.3-10.0 QD1 LEU 22 - HG2 LYS 31 far 4 81 5 - 3.5-21.9 QG1 VAL 20 - HG2 LYS 31 far 3 62 5 - 2.7-16.6 QG1 VAL 20 - HG3 LYS 24 far 0 61 0 - 4.8-11.0 QD1 LEU 22 - HG2 LYS 26 far 0 99 0 - 6.1-14.1 QD1 LEU 22 - HG3 LYS 19 far 0 85 0 - 7.1-10.4 QD2 LEU 48 - HG2 LYS 26 far 0 81 0 - 7.4-31.9 QD2 LEU 48 - HG3 LYS 24 far 0 59 0 - 8.0-32.2 QG2 VAL 63 - HG3 LYS 24 far 0 55 0 - 8.6-35.4 Violated in 0 structures by 0.00 A. Peak 10757 from cnoeabs.peaks (0.85, 2.97, 41.80 ppm; 3.55 A): 2 out of 32 assignments used, quality = 0.50: QG2 ILE 32 + HE2 LYS 26 OK 35 100 40 89 2.1-15.2 10766=34, 10837/3.0=29...(17) QG2 ILE 32 + HE3 LYS 26 OK 22 100 25 89 3.2-14.0 10837/3.0=29...(17) QG2 ILE 32 - HE3 LYS 31 poor 20 100 20 - 3.8-9.5 QG2 ILE 32 - HE2 LYS 31 poor 20 99 20 - 3.4-9.1 QG2 ILE 32 - HE3 LYS 36 far 15 97 15 - 3.2-8.4 QG2 ILE 32 - HE2 LYS 36 far 14 91 15 - 1.8-8.5 QD2 LEU 22 - HE3 LYS 24 poor 11 96 40 28 2.2-8.3 10812/3.0=16...(5) QD2 LEU 22 - HE2 LYS 24 poor 7 83 30 27 3.1-8.0 10812/3.0=16...(4) QD2 LEU 22 - HE3 LYS 31 far 5 99 5 - 2.7-20.9 QD2 LEU 22 - HE2 LYS 31 far 5 98 5 - 3.2-19.8 HG13 ILE 80 - HE3 LYS 86 far 3 61 5 - 4.3-7.4 QG2 ILE 32 - HE3 LYS 19 far 0 99 0 - 4.8-18.6 QG2 ILE 32 - HE2 LYS 24 far 0 86 0 - 4.8-21.1 QG2 ILE 32 - HE2 LYS 19 far 0 93 0 - 5.7-20.0 QG2 ILE 32 - HE3 LYS 24 far 0 97 0 - 6.3-21.4 QD2 LEU 22 - HE3 LYS 26 far 0 99 0 - 6.3-14.0 QD2 LEU 22 - HE2 LYS 26 far 0 99 0 - 7.0-15.0 QD2 LEU 22 - HE3 LYS 19 far 0 98 0 - 7.2-12.6 QD2 LEU 69 - HE2 LYS 36 far 0 71 0 - 7.3-11.9 QD2 LEU 69 - HE3 LYS 36 far 0 78 0 - 7.3-11.4 QG1 VAL 133 - HE3 LYS 86 far 0 87 0 - 7.4-10.5 QD2 LEU 22 - HE2 LYS 19 far 0 91 0 - 8.3-12.3 QG2 ILE 129 - HE3 LYS 86 far 0 56 0 - 8.7-9.9 QG2 ILE 129 - HE2 LYS 36 far 0 52 0 - 9.2-13.4 QG1 VAL 133 - HE2 LYS 36 far 0 83 0 - 9.3-13.3 QG1 VAL 133 - HE3 LYS 36 far 0 91 0 - 9.3-13.9 QD2 LEU 70 - HE2 LYS 19 far 0 92 0 - 9.5-29.2 QG2 VAL 57 - HE3 LYS 26 far 0 95 0 - 9.5-39.2 QD2 LEU 70 - HE2 LYS 36 far 0 89 0 - 9.5-13.7 QG2 VAL 57 - HE2 LYS 26 far 0 95 0 - 9.6-38.4 QG2 ILE 129 - HE2 LYS 19 far 0 54 0 - 9.7-29.8 QG2 ILE 129 - HE3 LYS 36 far 0 59 0 - 9.7-13.6 Violated in 15 structures by 3.35 A. Peak 10760 from cnoeabs.peaks (0.93, 4.24, 56.10 ppm; 4.83 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 20 - HA GLN 27 far 0 85 0 - 7.5-15.5 QG1 VAL 20 - HA GLU 30 far 0 30 0 - 7.8-18.6 QD1 LEU 48 - HA GLN 27 far 0 100 0 - 8.3-25.8 QD2 LEU 48 - HA GLN 27 far 0 87 0 - 9.8-27.5 Violated in 20 structures by 4.36 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 3.2-5.5 10762/1.8=80...(24) QB ALA 28 + HB2 GLU 30 OK 84 84 100 100 2.4-3.8 10791=87, 10742/1.8=77...(15) QB ALA 29 + HB2 GLU 30 OK 83 83 100 100 4.4-5.4 3.7/6318=80...(17) HG3 LYS 26 - HB2 GLN 27 poor 20 100 20 - 3.7-7.1 QB ALA 29 - HB2 GLN 27 far 10 100 10 - 4.9-8.6 HG3 LYS 31 - HB2 GLN 27 far 5 99 5 - 5.2-12.5 HG3 LYS 26 - HB2 GLU 30 far 4 84 5 - 4.9-12.6 HG3 LYS 31 - HB2 GLU 30 far 4 81 5 - 4.8-7.9 HG2 LYS 19 - HB2 GLU 30 far 0 65 0 - 5.7-19.0 HG2 LYS 24 - HB2 GLU 30 far 0 83 0 - 6.1-18.6 QB ALA 16 - HB2 GLU 30 far 0 61 0 - 6.8-20.3 HG2 LYS 19 - HB2 GLN 27 far 0 85 0 - 8.0-17.8 HG2 LYS 24 - HB2 GLN 27 far 0 100 0 - 8.7-14.2 QB ALA 15 - HB2 GLU 30 far 0 84 0 - 9.3-23.0 QB ALA 12 - HB2 GLN 27 far 0 73 0 - 9.5-26.1 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 7 assignments used, quality = 0.99: QB ALA 28 + HB3 GLN 27 OK 99 99 100 100 3.2-5.3 6304/6298=92...(23) QB ALA 29 - HB3 GLN 27 poor 20 98 20 - 4.4-8.1 HG3 LYS 26 - HB3 GLN 27 far 15 99 15 - 4.9-8.0 HG3 LYS 31 - HB3 GLN 27 far 10 100 10 - 5.2-13.1 QB ALA 34 - HB3 GLN 27 far 0 60 0 - 7.9-16.5 HG2 LYS 19 - HB3 GLN 27 far 0 71 0 - 8.3-17.7 HG2 LYS 24 - HB3 GLN 27 far 0 97 0 - 8.7-15.1 Violated in 4 structures by 0.08 A. Peak 10763 from cnoeabs.peaks (1.37, 2.36, 33.67 ppm; 4.39 A): 3 out of 12 assignments used, quality = 0.97: QB ALA 28 + HG2 GLN 27 OK 79 93 85 100 3.5-6.2 6304/4.9=57...(25) QB ALA 28 + HG3 GLN 27 OK 77 97 80 100 2.5-5.8 6304/4.9=57...(26) HG3 LYS 26 + HG2 GLN 27 OK 32 95 45 74 3.1-7.3 6265/4.6=51...(6) HG3 LYS 26 - HG3 GLN 27 poor 20 98 20 - 2.7-7.3 QB ALA 29 - HG3 GLN 27 poor 17 99 25 69 3.5-9.4 ~10788=28, 2.1/10736=12...(19) QB ALA 29 - HG2 GLN 27 poor 16 96 25 66 4.3-8.4 ~10788=28, 2.1/10736=13...(17) HG3 LYS 31 - HG3 GLN 27 far 13 87 15 - 4.5-13.8 HG3 LYS 31 - HG2 GLN 27 far 12 83 15 - 3.7-14.1 HG2 LYS 24 - HG2 GLN 27 far 0 96 0 - 6.9-13.5 HB2 LEU 96 - HG2 GLN 127 far 0 81 0 - 8.0-10.2 HG2 LYS 24 - HG3 GLN 27 far 0 99 0 - 8.4-14.5 HG2 LYS 19 - HG2 GLN 27 far 0 96 0 - 9.7-18.2 Violated in 2 structures by 0.01 A. Peak 10764 from cnoeabs.peaks (1.17, 2.36, 33.67 ppm; 4.25 A): 1 out of 8 assignments used, quality = 0.24: HG12 ILE 32 + HG2 GLN 27 OK 24 97 30 84 2.1-9.7 10768/3.0=35...(10) HG12 ILE 32 - HG3 GLN 27 poor 20 99 20 - 3.0-9.6 QG2 THR 25 - HG3 GLN 27 far 13 85 15 - 3.2-9.6 QG2 THR 25 - HG2 GLN 27 far 12 81 15 - 3.1-10.0 QG2 THR 18 - HG2 GLN 27 far 0 98 0 - 7.2-17.9 QG2 THR 18 - HG3 GLN 27 far 0 100 0 - 7.3-16.7 QB ALA 41 - HG2 GLN 27 far 0 98 0 - 9.4-19.5 QB ALA 41 - HG3 GLN 27 far 0 100 0 - 10.0-20.3 Violated in 16 structures by 2.09 A. Peak 10765 from cnoeabs.peaks (1.44, 2.36, 33.67 ppm; 4.82 A): 4 out of 13 assignments used, quality = 0.89: HG2 LYS 26 + HG3 GLN 27 OK 45 100 70 65 2.7-6.4 6264/4.6=44, ~10722=13...(5) HG13 ILE 32 + HG2 GLN 27 OK 43 98 45 99 2.5-9.2 1.8/10764=91, ~10768=38...(11) HG2 LYS 26 + HG2 GLN 27 OK 43 98 70 63 3.0-6.6 6264/4.6=44...(5) HG13 ILE 32 + HG3 GLN 27 OK 39 100 40 97 2.3-9.8 ~10764=69, ~10768=38...(12) HG2 LYS 31 - HG3 GLN 27 poor 20 100 20 - 4.2-13.5 HG2 LYS 31 - HG2 GLN 27 poor 19 97 20 - 3.1-14.0 QB ALA 34 - HG2 GLN 27 far 0 83 0 - 6.8-14.7 HG3 LYS 24 - HG2 GLN 27 far 0 95 0 - 7.5-14.7 QB ALA 34 - HG3 GLN 27 far 0 87 0 - 7.6-15.1 QB ALA 92 - HG2 GLN 127 far 0 81 0 - 7.6-8.9 HG3 LYS 24 - HG3 GLN 27 far 0 98 0 - 8.6-15.3 HG3 LYS 19 - HG3 GLN 27 far 0 99 0 - 9.0-18.2 HG3 LYS 19 - HG2 GLN 27 far 0 96 0 - 9.4-18.8 Violated in 2 structures by 0.02 A. Peak 10766 from cnoeabs.peaks (1.18, 1.96, 29.32 ppm; 5.50 A): 3 out of 6 assignments used, quality = 0.76: HG12 ILE 32 + HB2 GLU 30 OK 47 72 65 100 5.3-7.7 1.8/10769=87...(16) HG12 ILE 32 + HB2 GLN 27 OK 41 92 45 99 2.9-10.0 10764/3.0=85...(10) QG2 THR 25 + HB2 GLN 27 OK 25 97 35 74 3.1-8.8 10758/6271=63...(3) QG2 THR 25 - HB2 GLU 30 far 12 79 15 - 4.1-12.4 QG2 THR 18 - HB2 GLN 27 far 5 99 5 - 5.6-16.3 QG2 THR 18 - HB2 GLU 30 far 0 82 0 - 7.9-21.0 Violated in 8 structures by 0.16 A. Peak 10767 from cnoeabs.peaks (0.92, 2.36, 33.67 ppm; 4.11 A): 1 out of 12 assignments used, quality = 0.83: QD1 LEU 123 + HG2 GLN 127 OK 83 83 100 100 1.9-3.7 11579=100, 10437/1.8=88...(19) QD1 LEU 49 - HG2 GLN 127 poor 19 78 25 - 3.1-7.3 QD1 LEU 22 - HG2 GLN 27 far 0 56 0 - 5.5-15.6 QD1 LEU 22 - HG3 GLN 27 far 0 60 0 - 6.0-16.6 QG1 VAL 20 - HG3 GLN 27 far 0 90 0 - 7.1-15.0 QD1 LEU 48 - HG2 GLN 127 far 0 84 0 - 7.9-11.1 QG1 VAL 20 - HG2 GLN 27 far 0 86 0 - 8.0-14.2 QD1 LEU 48 - HG2 GLN 27 far 0 98 0 - 8.3-26.5 QD1 LEU 62 - HG2 GLN 127 far 0 79 0 - 8.4-11.8 QD2 LEU 48 - HG2 GLN 127 far 0 72 0 - 8.6-10.1 QD1 LEU 48 - HG3 GLN 27 far 0 100 0 - 9.0-27.0 QG1 VAL 118 - HG2 GLN 127 far 0 55 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 10768 from cnoeabs.peaks (1.38, 4.24, 56.10 ppm; 3.89 A): 3 out of 16 assignments used, quality = 0.98: QB ALA 28 + HA GLN 27 OK 94 100 95 99 3.8-4.9 6304/700=85...(12) QB ALA 29 + HA GLU 30 OK 39 41 100 97 3.8-4.3 4.9=50, 6316/3.0=38...(19) QB ALA 28 + HA GLU 30 OK 36 41 90 98 4.2-5.2 10791/3.0=68...(15) HG3 LYS 26 - HA GLN 27 far 15 100 15 - 4.5-6.6 HG3 LYS 31 - HA GLU 30 far 0 39 0 - 5.2-7.9 QB ALA 29 - HA GLN 27 far 0 100 0 - 5.3-8.0 HG3 LYS 31 - HA GLN 27 far 0 99 0 - 6.9-12.2 HG3 LYS 26 - HA GLU 30 far 0 41 0 - 7.0-14.7 HG2 LYS 24 - HA GLU 30 far 0 40 0 - 7.2-19.5 HG2 LYS 19 - HA GLU 30 far 0 30 0 - 8.1-21.5 HG2 LYS 19 - HA GLN 27 far 0 85 0 - 8.4-18.4 QB ALA 16 - HA GLU 30 far 0 28 0 - 8.6-21.9 HG2 LYS 24 - HA GLN 27 far 0 100 0 - 8.6-13.1 QB ALA 15 - HA GLN 27 far 0 100 0 - 8.8-20.5 QB ALA 16 - HA GLN 27 far 0 81 0 - 9.1-20.0 HG2 LYS 36 - HA GLU 30 far 0 41 0 - 9.4-14.3 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 5 assignments used, quality = 0.88: QD1 ILE 32 + HA ALA 29 OK 80 80 100 100 1.9-2.4 11488/2.1=98...(15) QD1 ILE 32 + HA ALA 28 OK 39 90 70 62 3.3-6.1 ~10772=25, 934/3.6=19...(7) QD1 ILE 37 - HA ALA 29 far 0 83 0 - 7.6-10.2 QG1 VAL 63 - HA ALA 28 far 0 97 0 - 8.4-25.1 QG1 VAL 63 - HA ALA 29 far 0 88 0 - 9.7-22.1 Violated in 0 structures by 0.00 A. Peak 10778 from cnoeabs.peaks (8.33, 4.23, 52.53 ppm; 4.05 A): 1 out of 8 assignments used, quality = 0.90: H ALA 28 + HA ALA 28 OK 90 90 100 100 2.3-2.9 3.0=100 H ALA 28 - HA ALA 29 poor 20 99 20 - 4.7-6.0 H ALA 21 - HA ALA 28 far 0 56 0 - 6.4-17.9 H ALA 21 - HA ALA 29 far 0 65 0 - 7.5-19.4 H LYS 19 - HA ALA 28 far 0 83 0 - 8.3-18.8 H LYS 19 - HA ALA 29 far 0 93 0 - 8.7-21.6 H GLY 17 - HA ALA 29 far 0 92 0 - 9.2-24.2 H GLY 17 - HA ALA 28 far 0 81 0 - 10.0-23.7 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 7 assignments used, quality = 0.97: HG12 ILE 32 + HA ALA 29 OK 97 97 100 100 1.9-3.7 2.9/10734=92...(23) HG12 ILE 32 - HA ALA 28 poor 18 88 20 - 3.7-8.8 QG2 THR 25 - HA ALA 29 far 9 92 10 - 5.7-11.0 QG2 THR 25 - HA ALA 28 poor 6 81 35 23 3.0-8.6 10772/3.0=18...(3) QG2 THR 18 - HA ALA 28 far 0 93 0 - 7.2-17.8 QB ALA 41 - HA ALA 29 far 0 100 0 - 8.2-14.6 QG2 THR 18 - HA ALA 29 far 0 100 0 - 8.6-21.1 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 5 assignments used, quality = 1.00: QD1 ILE 32 + HA ALA 29 OK 99 99 100 100 1.9-2.4 10739/2.1=98, 9007=88...(15) QD1 ILE 32 + HA ALA 28 OK 41 91 70 65 3.3-6.1 ~10772=25, 934/3.6=22...(7) QD1 ILE 37 - HA ALA 29 far 0 100 0 - 7.6-10.2 QG1 VAL 63 - HA ALA 28 far 0 93 0 - 8.4-25.1 QG1 VAL 63 - HA ALA 29 far 0 100 0 - 9.7-22.1 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 3.4-5.0 2.1/10734=100...(20) QG2 ILE 32 + HA ALA 28 OK 38 93 60 69 5.7-8.6 ~10772=38, 930/10780=28...(6) QD2 LEU 22 - HA ALA 28 far 12 83 15 - 5.7-17.0 QD2 LEU 22 - HA ALA 29 far 5 93 5 - 4.6-17.7 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 6 assignments used, quality = 0.00: HB2 LYS 31 - HA ALA 29 poor 14 73 35 55 5.3-7.0 4.6/10819=39...(4) HB2 LYS 24 - HA ALA 28 far 5 53 10 - 5.6-13.0 HB2 LYS 31 - HA ALA 28 far 0 63 0 - 6.0-11.1 HB2 LYS 24 - HA ALA 29 far 0 63 0 - 7.6-16.1 HG LEU 48 - HA ALA 28 far 0 91 0 - 9.6-29.9 HG LEU 48 - HA ALA 29 far 0 99 0 - 9.9-27.9 Violated in 18 structures by 0.82 A. Peak 10783 from cnoeabs.peaks (1.81, 4.23, 52.53 ppm; 3.44 A): 1 out of 13 assignments used, quality = 0.80: HB ILE 32 + HA ALA 29 OK 80 100 80 100 2.0-5.7 10818=76, 10790/2.1=66...(18) HB3 ARG 23 - HA ALA 28 far 4 90 5 - 2.3-15.3 HB3 LYS 26 - HA ALA 29 far 0 100 0 - 4.5-11.3 HB3 LYS 26 - HA ALA 28 far 0 92 0 - 5.2-8.2 HB3 LYS 19 - HA ALA 28 far 0 92 0 - 5.4-17.2 HB3 LYS 24 - HA ALA 28 far 0 93 0 - 5.6-13.9 HB3 LYS 31 - HA ALA 29 far 0 100 0 - 5.8-7.7 HB ILE 32 - HA ALA 28 far 0 92 0 - 5.8-9.8 HB3 LYS 19 - HA ALA 29 far 0 100 0 - 5.8-18.9 HB3 ARG 23 - HA ALA 29 far 0 99 0 - 6.2-16.8 HB2 LYS 36 - HA ALA 29 far 0 100 0 - 6.3-10.7 HB3 LYS 31 - HA ALA 28 far 0 92 0 - 6.8-10.4 HB3 LYS 24 - HA ALA 29 far 0 100 0 - 8.7-16.1 Violated in 7 structures by 0.36 A. Peak 10784 from cnoeabs.peaks (1.95, 4.23, 52.53 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.98: HB2 GLU 30 + HA ALA 29 OK 89 99 90 100 4.8-5.8 6318/3.6=89...(24) HB2 GLU 30 + HA ALA 28 OK 77 91 85 100 4.4-6.7 10791/2.1=99, ~10742=63...(19) HB2 GLN 27 + HA ALA 28 OK 37 81 45 100 3.9-5.9 ~6298=66, ~10762=61...(22) HB2 GLN 27 - HA ALA 29 far 14 92 15 - 4.0-8.8 Violated in 1 structures by 0.00 A. Peak 10785 from cnoeabs.peaks (2.04, 4.23, 52.53 ppm; 5.14 A): 3 out of 6 assignments used, quality = 0.84: HB3 GLN 27 + HA ALA 28 OK 70 70 100 100 4.1-5.9 6298/3.0=77...(24) HB3 GLN 27 + HA ALA 29 OK 35 81 50 86 4.0-8.1 10788/2.9=64...(11) HB3 GLU 30 + HA ALA 29 OK 21 83 25 100 5.9-6.5 1.8/10735=94...(26) HB3 GLU 30 - HA ALA 28 far 4 72 5 - 5.9-7.5 HB VAL 63 - HA ALA 28 far 0 76 0 - 9.6-30.8 HB2 GLU 44 - HA ALA 29 far 0 90 0 - 10.0-23.7 Violated in 1 structures by 0.01 A. Peak 10786 from cnoeabs.peaks (2.33, 4.23, 52.53 ppm; 5.30 A): 4 out of 6 assignments used, quality = 0.97: HG3 GLU 30 + HA ALA 29 OK 80 100 80 100 4.3-6.6 3.0/10735=83...(18) HG3 GLU 30 + HA ALA 28 OK 60 92 65 100 3.6-6.5 ~10791=68, 10792/2.1=61...(17) HG2 GLN 27 + HA ALA 28 OK 52 58 90 100 3.8-6.5 ~6298=57, ~10762=56...(21) HG2 GLN 27 + HA ALA 29 OK 29 68 50 84 3.1-8.7 ~10788=42...(15) HG3 GLN 68 - HA ALA 29 far 0 100 0 - 7.9-21.5 HG3 GLN 68 - HA ALA 28 far 0 92 0 - 9.1-25.0 Violated in 0 structures by 0.00 A. Peak 10790 from cnoeabs.peaks (1.80, 1.38, 19.08 ppm; 3.19 A): 1 out of 31 assignments used, quality = 0.74: HB ILE 32 + QB ALA 29 OK 74 93 80 99 2.2-5.6 10783/2.1=53...(25) HB3 LYS 19 - QB ALA 28 far 5 98 5 - 2.9-15.3 HB3 LEU 103 - QB ALA 108 far 5 93 5 - 3.8-9.4 HB3 ARG 23 - QB ALA 28 far 4 84 5 - 2.1-14.2 HB3 LEU 103 - QB ALA 109 far 3 62 5 - 3.8-9.7 HB3 LYS 26 - QB ALA 28 far 0 91 0 - 4.3-7.7 HB2 LYS 36 - QB ALA 29 far 0 95 0 - 4.6-10.7 HB3 LYS 31 - QB ALA 28 far 0 98 0 - 4.6-8.2 HB3 LYS 24 - QB ALA 28 far 0 97 0 - 4.8-13.1 HB3 LYS 19 - QB ALA 15 far 0 98 0 - 5.0-11.5 HB3 ARG 23 - QB ALA 29 far 0 85 0 - 5.1-15.4 HB3 LYS 26 - QB ALA 29 far 0 92 0 - 5.5-10.5 HB ILE 32 - QB ALA 28 far 0 92 0 - 5.8-8.2 HB3 LYS 19 - QB ALA 29 far 0 99 0 - 6.3-16.5 HB3 LYS 31 - QB ALA 15 far 0 98 0 - 6.7-19.9 HB3 LYS 31 - QB ALA 29 far 0 99 0 - 6.7-8.0 HB3 LEU 103 - QB ALA 110 far 0 95 0 - 7.0-13.2 HB3 LYS 24 - QB ALA 29 far 0 97 0 - 7.2-14.2 HB3 ARG 23 - QB ALA 15 far 0 84 0 - 7.4-16.5 HB3 LEU 98 - QB ALA 108 far 0 80 0 - 7.5-15.8 HB3 LEU 122 - QB ALA 108 far 0 94 0 - 7.7-14.7 HB2 LEU 48 - QB ALA 29 far 0 76 0 - 8.2-23.9 HB2 LEU 100 - QB ALA 108 far 0 82 0 - 8.2-13.7 HB ILE 32 - QB ALA 15 far 0 92 0 - 8.4-24.4 HB3 LYS 26 - QB ALA 15 far 0 91 0 - 9.0-23.3 HB2 LYS 36 - QB ALA 28 far 0 94 0 - 9.2-12.8 HB3 LEU 122 - QB ALA 109 far 0 63 0 - 9.3-13.5 HG LEU 100 - QB ALA 108 far 0 61 0 - 9.3-14.2 HB3 LYS 24 - QB ALA 110 far 0 95 0 - 9.4-43.9 HG LEU 100 - QB ALA 29 far 0 65 0 - 9.8-24.8 HB2 LEU 100 - QB ALA 109 far 0 53 0 - 9.8-14.3 Violated in 10 structures by 0.42 A. Peak 10791 from cnoeabs.peaks (1.95, 1.38, 19.08 ppm; 3.29 A): 1 out of 14 assignments used, quality = 0.93: HB2 GLU 30 + QB ALA 28 OK 93 99 100 94 2.4-3.8 10741=34, 1.8/10742=33...(15) HB2 PRO 58 - QB ALA 110 far 10 99 10 - 2.7-11.2 HB2 GLN 27 - QB ALA 28 far 9 91 10 - 3.2-5.5 HB2 MET 11 - QB ALA 15 far 3 64 5 - 2.9-12.0 HB2 GLU 30 - QB ALA 29 far 0 99 0 - 4.4-5.4 HB2 PRO 58 - QB ALA 108 far 0 98 0 - 4.9-11.2 HB2 GLN 27 - QB ALA 29 far 0 92 0 - 4.9-8.6 HG2 PRO 113 - QB ALA 109 far 0 53 0 - 5.0-12.2 HB2 PRO 58 - QB ALA 109 far 0 68 0 - 5.7-10.5 HG2 PRO 113 - QB ALA 110 far 0 84 0 - 7.7-10.5 HG2 PRO 113 - QB ALA 108 far 0 82 0 - 8.6-13.3 HB2 GLU 30 - QB ALA 15 far 0 99 0 - 9.3-23.0 HB ILE 37 - QB ALA 29 far 0 87 0 - 9.4-13.4 HB2 PRO 58 - QB ALA 15 far 0 100 0 - 9.8-40.0 Violated in 9 structures by 0.10 A. Peak 10792 from cnoeabs.peaks (2.33, 1.38, 19.08 ppm; 3.34 A): 3 out of 15 assignments used, quality = 0.97: HG3 GLU 30 + QB ALA 28 OK 94 100 100 95 2.1-3.5 3.0/10791=52...(14) HG3 GLN 27 + QB ALA 28 OK 34 64 55 95 2.5-5.8 3.0/10762=33...(27) HG2 GLN 27 + QB ALA 28 OK 26 80 35 95 3.5-6.2 3.0/10762=33...(25) HG3 GLN 27 - QB ALA 29 far 7 65 10 - 3.5-9.4 HG3 GLU 30 - QB ALA 29 far 5 100 5 - 4.1-5.9 HG2 GLU 102 - QB ALA 108 far 3 61 5 - 3.5-11.4 HG2 GLN 27 - QB ALA 29 far 0 81 0 - 4.3-8.4 HG3 GLN 68 - QB ALA 29 far 0 99 0 - 5.7-19.2 HG2 GLU 102 - QB ALA 110 far 0 63 0 - 6.7-16.6 HG2 GLU 102 - QB ALA 109 far 0 37 0 - 7.0-12.6 HB2 PRO 117 - QB ALA 110 far 0 55 0 - 7.3-16.3 HB2 PRO 117 - QB ALA 108 far 0 54 0 - 7.4-14.7 HB2 PRO 117 - QB ALA 109 far 0 32 0 - 7.6-11.9 HG2 GLU 40 - QB ALA 29 far 0 89 0 - 8.1-21.0 HG3 GLN 68 - QB ALA 28 far 0 98 0 - 9.0-21.6 Violated in 2 structures by 0.01 A. Peak 10796 from cnoeabs.peaks (1.38, 4.22, 56.42 ppm; 4.26 A): 3 out of 16 assignments used, quality = 1.00: QB ALA 29 + HA GLU 30 OK 99 100 100 99 3.8-4.3 4.9=66, 6316/3.0=43...(19) QB ALA 28 + HA GLU 30 OK 94 100 95 99 4.2-5.2 10791/3.0=78...(15) QB ALA 28 + HA GLN 27 OK 41 41 100 99 3.8-4.9 6304/3.6=81...(12) HG3 LYS 26 - HA GLN 27 poor 16 41 40 - 4.5-6.6 HG3 LYS 31 - HA GLU 30 far 0 98 0 - 5.2-7.9 QB ALA 29 - HA GLN 27 far 0 41 0 - 5.3-8.0 HG3 LYS 31 - HA GLN 27 far 0 38 0 - 6.9-12.2 HG3 LYS 26 - HA GLU 30 far 0 100 0 - 7.0-14.7 HG2 LYS 24 - HA GLU 30 far 0 100 0 - 7.2-19.5 HG2 LYS 19 - HA GLU 30 far 0 89 0 - 8.1-21.5 HG2 LYS 19 - HA GLN 27 far 0 32 0 - 8.4-18.4 QB ALA 16 - HA GLU 30 far 0 76 0 - 8.6-21.9 HG2 LYS 24 - HA GLN 27 far 0 41 0 - 8.6-13.1 QB ALA 15 - HA GLN 27 far 0 41 0 - 8.8-20.5 QB ALA 16 - HA GLN 27 far 0 26 0 - 9.1-20.0 HG2 LYS 36 - HA GLU 30 far 0 100 0 - 9.4-14.3 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 2.4-3.8 10791=99, 10742/1.8=79...(15) QB ALA 29 + HB2 GLU 30 OK 100 100 100 100 4.4-5.4 3.7/6318=83...(17) QB ALA 28 + HB2 GLN 27 OK 84 84 100 100 3.2-5.5 10762/1.8=81...(24) HG3 LYS 26 - HB2 GLN 27 poor 17 83 20 - 3.7-7.1 QB ALA 29 - HB2 GLN 27 far 8 83 10 - 4.9-8.6 HG3 LYS 26 - HB2 GLU 30 far 5 100 5 - 4.9-12.6 HG3 LYS 31 - HB2 GLU 30 far 5 99 5 - 4.8-7.9 HG3 LYS 31 - HB2 GLN 27 far 4 82 5 - 5.2-12.5 HG2 LYS 19 - HB2 GLU 30 far 0 83 0 - 5.7-19.0 HG2 LYS 24 - HB2 GLU 30 far 0 100 0 - 6.1-18.6 QB ALA 16 - HB2 GLU 30 far 0 83 0 - 6.8-20.3 HG2 LYS 19 - HB2 GLN 27 far 0 63 0 - 8.0-17.8 HG2 LYS 24 - HB2 GLN 27 far 0 83 0 - 8.7-14.2 QB ALA 15 - HB2 GLU 30 far 0 100 0 - 9.3-23.0 QB ALA 12 - HB2 GLN 27 far 0 53 0 - 9.5-26.1 Violated in 0 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (1.39, 2.02, 29.50 ppm; 4.74 A): 2 out of 11 assignments used, quality = 1.00: QB ALA 28 + HB3 GLU 30 OK 100 100 100 100 3.9-5.0 10791/1.8=98...(14) HG3 LYS 31 + HB3 GLU 30 OK 24 100 35 69 5.0-6.7 5.0/6327=58...(3) QB ALA 29 - HB3 GLU 30 far 15 99 15 - 5.5-6.1 HG2 LYS 24 - HB3 GLU 30 far 5 99 5 - 5.1-18.9 HG3 LYS 26 - HB3 GLU 30 far 0 99 0 - 6.0-14.3 HG2 LYS 19 - HB3 GLU 30 far 0 76 0 - 6.1-20.0 QB ALA 16 - HB3 GLU 30 far 0 89 0 - 7.4-20.4 QB ALA 110 - HB3 PRO 56 far 0 42 0 - 7.6-14.5 QB ALA 109 - HB3 PRO 56 far 0 43 0 - 8.8-14.0 QB ALA 108 - HB3 PRO 56 far 0 43 0 - 9.2-15.6 QB ALA 12 - HB3 GLU 30 far 0 63 0 - 9.5-26.7 Violated in 0 structures by 0.00 A. Peak 10799 from cnoeabs.peaks (1.40, 2.29, 35.22 ppm; 4.60 A): 4 out of 13 assignments used, quality = 0.99: QB ALA 28 + HG2 GLU 30 OK 95 96 100 99 2.5-4.8 10791/3.0=75...(14) HG LEU 96 + HG2 GLU 97 OK 70 71 100 100 2.2-5.2 11461/2.9=60...(30) QB ALA 29 + HG2 GLU 30 OK 36 92 40 98 4.5-6.2 3.7/6320=70, 4.9/775=53...(16) HB2 LEU 96 + HG2 GLU 97 OK 21 59 35 100 3.9-7.2 4.4/3133=37, ~11461=34...(32) HG3 LYS 31 - HG2 GLU 30 poor 20 100 20 - 3.5-8.8 HB3 LEU 100 - HG2 GLU 97 poor 19 58 35 96 3.6-7.5 ~10011=27, ~11462=24...(19) HG3 LYS 26 - HG2 GLU 30 far 5 93 5 - 5.4-13.5 HG2 LYS 24 - HG2 GLU 30 far 5 90 5 - 5.1-19.5 HG3 LYS 95 - HG2 GLU 97 far 0 66 0 - 6.5-10.2 HG2 LYS 95 - HG2 GLU 97 far 0 67 0 - 6.9-11.1 QB ALA 16 - HG2 GLU 30 far 0 98 0 - 7.1-22.5 QB ALA 16 - HG2 GLU 97 far 0 67 0 - 9.3-35.6 QB ALA 34 - HG2 GLU 30 far 0 76 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 10800 from cnoeabs.peaks (1.39, 2.33, 35.22 ppm; 4.45 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 28 + HG3 GLU 30 OK 99 100 100 100 2.1-3.5 10791/3.0=81...(13) QB ALA 29 + HG3 GLU 30 OK 83 99 85 98 4.1-5.9 3.7/6321=64, 4.9/782=51...(14) HG3 LYS 31 - HG3 GLU 30 far 5 100 5 - 3.6-9.1 HG2 LYS 24 - HG3 GLU 30 far 0 99 0 - 6.0-19.4 HG2 LYS 36 - HG2 GLU 40 far 0 65 0 - 6.2-10.5 HG2 LYS 19 - HG3 GLU 30 far 0 76 0 - 6.3-20.0 HG3 LYS 26 - HG3 GLU 30 far 0 99 0 - 6.5-14.0 HB2 LEU 42 - HG2 GLU 40 far 0 64 0 - 6.6-7.6 QB ALA 29 - HG2 GLU 40 far 0 65 0 - 8.1-21.0 QB ALA 16 - HG3 GLU 30 far 0 89 0 - 8.1-22.1 Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (0.88, 2.33, 35.22 ppm; 5.18 A): 0 out of 6 assignments used, quality = 0.00: QD1 LEU 22 - HG3 GLU 30 far 9 95 10 - 2.9-19.2 QG2 ILE 32 - HG3 GLU 30 far 0 65 0 - 6.4-8.8 QG2 VAL 20 - HG3 GLU 30 far 0 97 0 - 7.4-17.6 QG1 VAL 20 - HG3 GLU 30 far 0 68 0 - 7.8-17.7 QG2 ILE 32 - HG2 GLU 40 far 0 37 0 - 8.8-15.8 QD2 LEU 69 - HG2 GLU 40 far 0 61 0 - 9.9-12.9 Violated in 18 structures by 1.85 A. Peak 10804 from cnoeabs.peaks (0.77, 2.96, 41.80 ppm; 3.58 A): 4 out of 30 assignments used, quality = 0.99: QD1 ILE 37 + HE3 LYS 36 OK 86 97 100 88 2.5-4.4 10918/3.0=26...(16) QD1 ILE 37 + HE2 LYS 36 OK 83 94 100 88 2.0-4.0 10918/3.0=26...(16) QD1 ILE 32 + HE2 LYS 26 OK 30 98 35 86 2.3-12.7 930/10757=27, ~10767=23...(17) QD1 ILE 32 + HE3 LYS 26 OK 22 98 25 88 2.3-11.5 ~10767=23, 9008/1.8=18...(18) QD1 ILE 32 - HE2 LYS 31 poor 20 99 20 - 3.0-9.6 QD1 ILE 32 - HE3 LYS 31 far 15 98 15 - 3.1-9.9 QD1 ILE 32 - HE3 LYS 19 far 5 99 5 - 4.1-17.6 QD1 ILE 37 - HE3 LYS 26 far 5 97 5 - 3.3-20.2 QD1 ILE 37 - HE2 LYS 26 far 5 97 5 - 4.3-20.4 QD1 ILE 32 - HE2 LYS 36 far 5 95 5 - 4.3-10.7 QD1 ILE 37 - HE3 LYS 19 far 0 98 0 - 4.5-20.5 QD1 ILE 32 - HE3 LYS 24 far 0 98 0 - 4.9-19.2 QD1 ILE 37 - HE2 LYS 19 far 0 95 0 - 5.2-21.8 QD1 ILE 32 - HE2 LYS 19 far 0 96 0 - 5.4-19.1 QD1 ILE 32 - HE3 LYS 36 far 0 98 0 - 5.4-10.7 QD1 ILE 32 - HE2 LYS 24 far 0 92 0 - 6.0-18.9 QD1 ILE 37 - HE3 LYS 31 far 0 97 0 - 6.9-11.5 QD1 ILE 37 - HE2 LYS 31 far 0 98 0 - 7.4-11.3 QD1 ILE 37 - HE2 LYS 24 far 0 90 0 - 7.9-24.1 QG1 VAL 93 - HE2 LYS 19 far 0 78 0 - 8.0-29.3 QG1 VAL 93 - HE3 LYS 86 far 0 80 0 - 8.0-11.4 QD2 LEU 49 - HE2 LYS 36 far 0 60 0 - 8.6-14.7 QG1 VAL 63 - HE3 LYS 24 far 0 94 0 - 8.8-32.7 QD2 LEU 43 - HE2 LYS 36 far 0 86 0 - 8.9-13.0 QD1 ILE 37 - HE3 LYS 24 far 0 97 0 - 9.0-24.6 QG1 VAL 93 - HE3 LYS 19 far 0 83 0 - 9.1-29.6 QD2 LEU 43 - HE3 LYS 36 far 0 91 0 - 9.4-13.7 QD2 LEU 49 - HE3 LYS 36 far 0 64 0 - 9.6-14.8 QD2 LEU 49 - HE3 LYS 26 far 0 64 0 - 9.6-33.5 QG1 VAL 63 - HE2 LYS 24 far 0 85 0 - 9.8-33.6 Violated in 1 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 = 0.76: H ALA 34 + HA ILE 32 OK 64 76 85 99 3.8-6.4 6369/6360=72...(11) H ASP 35 + HA ILE 32 OK 35 76 80 57 4.9-6.7 4.0/10883=25...(6) H GLN 27 - HA ILE 32 far 12 81 15 - 4.3-11.9 Violated in 3 structures by 0.15 A. Peak 10810 from cnoeabs.peaks (8.43, 1.82, 38.56 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.85: H ALA 34 + HB ILE 32 OK 85 100 85 100 3.9-7.0 6369/6361=99...(13) Violated in 3 structures by 0.19 A. Peak 10811 from cnoeabs.peaks (8.43, 0.85, 17.13 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: H ALA 34 + QG2 ILE 32 OK 100 100 100 100 1.9-5.2 6369/6362=83...(13) H SER 74 - QG2 ILE 32 far 0 68 0 - 8.2-13.9 H ALA 12 - QG2 ILE 32 far 0 96 0 - 9.2-31.2 H ASN 13 - QG2 ILE 32 far 0 100 0 - 9.5-28.5 Violated in 3 structures by 0.10 A. Peak 10812 from cnoeabs.peaks (8.45, 0.78, 12.54 ppm; 4.98 A): 1 out of 4 assignments used, quality = 0.69: H ALA 34 + QD1 ILE 32 OK 69 85 85 95 3.9-7.8 10811/930=59...(11) H LEU 70 - QD1 ILE 32 far 0 92 0 - 6.9-18.7 H ALA 12 - QD1 ILE 32 far 0 99 0 - 8.9-28.8 H ASN 13 - QD1 ILE 32 far 0 93 0 - 9.7-27.3 Violated in 14 structures by 0.67 A. Peak 10813 from cnoeabs.peaks (4.53, 0.78, 12.10 ppm; 5.41 A): 3 out of 3 assignments used, quality = 1.00: HA ASP 35 + QD1 ILE 37 OK 98 99 100 100 5.2-5.9 9012/6417=78...(12) HA SER 38 + QD1 ILE 37 OK 98 98 100 100 5.5-6.2 3.0/6426=87...(19) HA TYR 72 + QD1 ILE 37 OK 83 83 100 100 2.3-4.5 3.4/10839=87...(21) 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 1.9-3.7 10738/1.8=85...(20) HA GLU 30 + HG13 ILE 32 OK 90 97 95 97 2.8-7.6 3.0/10769=63...(13) HA ALA 28 + HG13 ILE 32 OK 25 100 35 72 4.4-7.5 ~10772=26, 10776/2.1=24...(9) HA GLN 27 - HG13 ILE 32 poor 20 99 20 - 3.8-9.6 HA ALA 34 - HG13 ILE 32 far 0 97 0 - 6.8-9.6 Violated in 0 structures by 0.00 A. Peak 10815 from cnoeabs.peaks (4.23, 1.16, 27.21 ppm; 5.01 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 29 + HG12 ILE 32 OK 100 100 100 100 1.9-3.7 10738=99, 10734/2.9=94...(23) HA GLU 30 + HG12 ILE 32 OK 29 100 30 98 4.4-6.9 ~10769=54, ~10845=50...(11) HA GLN 27 + HG12 ILE 32 OK 21 89 25 96 4.0-9.6 3.7/10764=70...(8) HA ALA 28 - HG12 ILE 32 poor 19 97 20 - 3.7-8.8 HB THR 25 - HG12 ILE 32 far 11 71 15 - 5.1-13.6 HA ALA 34 - HG12 ILE 32 far 0 100 0 - 7.9-8.9 HB3 SER 38 - HG12 ILE 32 far 0 100 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 10816 from cnoeabs.peaks (4.27, 1.16, 27.21 ppm; 5.31 A): 1 out of 11 assignments used, quality = 1.00: HA LYS 31 + HG12 ILE 32 OK 100 100 100 100 5.2-5.8 6342/6354=100...(21) HA THR 25 - HG12 ILE 32 poor 18 89 20 - 3.0-14.7 HA GLN 27 - HG12 ILE 32 poor 17 57 30 - 4.0-9.6 HA LYS 26 - HG12 ILE 32 far 15 100 15 - 5.5-12.1 HA LYS 19 - HG12 ILE 32 far 0 99 0 - 6.6-20.9 HA ARG 23 - HG12 ILE 32 far 0 96 0 - 6.7-17.3 HA LYS 36 - HG12 ILE 32 far 0 100 0 - 6.8-11.2 HA LEU 22 - HG12 ILE 32 far 0 99 0 - 7.0-20.9 HA ALA 16 - HG12 ILE 32 far 0 100 0 - 7.6-25.2 HA ALA 15 - HG12 ILE 32 far 0 97 0 - 8.9-25.9 HA THR 18 - HG12 ILE 32 far 0 87 0 - 9.8-22.5 Violated in 17 structures by 0.17 A. Peak 10817 from cnoeabs.peaks (4.24, 0.85, 17.13 ppm; 4.13 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 29 + QG2 ILE 32 OK 99 99 100 100 3.4-5.0 10734/2.1=87...(20) HA ALA 34 + QG2 ILE 32 OK 89 97 95 97 4.0-5.1 3.0/10811=56...(10) HA GLU 30 - QG2 ILE 32 far 0 97 0 - 5.4-7.0 HA GLN 27 - QG2 ILE 32 far 0 99 0 - 5.7-10.5 HA ALA 28 - QG2 ILE 32 far 0 100 0 - 5.7-8.6 HB3 SER 38 - QG2 ILE 32 far 0 95 0 - 6.7-10.5 HA HIS 67 - QG2 ILE 32 far 0 87 0 - 8.2-17.0 Violated in 1 structures by 0.01 A. Peak 10818 from cnoeabs.peaks (4.23, 1.82, 38.56 ppm; 3.77 A): 1 out of 7 assignments used, quality = 0.85: HA ALA 29 + HB ILE 32 OK 85 100 85 100 2.0-5.7 10783=100, 2.1/10790=73...(19) HA GLU 30 - HB ILE 32 far 5 100 5 - 4.5-6.0 HB THR 25 - HB ILE 32 far 0 63 0 - 4.9-16.0 HA ALA 28 - HB ILE 32 far 0 99 0 - 5.8-9.8 HA GLN 27 - HB ILE 32 far 0 93 0 - 6.1-12.0 HA ALA 34 - HB ILE 32 far 0 100 0 - 6.3-7.7 HB3 SER 38 - HB ILE 32 far 0 99 0 - 8.4-13.2 Violated in 6 structures by 0.26 A. Peak 10820 from cnoeabs.peaks (4.23, 4.11, 61.16 ppm; 4.02 A): 1 out of 7 assignments used, quality = 0.75: HA ALA 29 + HA ILE 32 OK 75 100 75 100 4.2-6.2 10734/3.0=72...(13) HA GLU 30 - HA ILE 32 far 0 100 0 - 5.6-7.2 HA ALA 28 - HA ILE 32 far 0 99 0 - 5.7-10.3 HA GLN 27 - HA ILE 32 far 0 93 0 - 6.2-11.7 HB THR 25 - HA ILE 32 far 0 63 0 - 6.3-16.0 HA ALA 34 - HA ILE 32 far 0 100 0 - 6.5-7.1 HB3 SER 38 - HA ILE 32 far 0 99 0 - 9.6-13.9 Violated in 20 structures by 0.80 A. Peak 10821 from cnoeabs.peaks (4.39, 4.11, 61.16 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: HA SER 33 + HA ILE 32 OK 100 100 100 100 4.4-4.6 3.0/6360=94, 10857=89...(19) Violated in 19 structures by 0.07 A. Peak 10822 from cnoeabs.peaks (3.87, 4.11, 61.16 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.75: HB3 SER 33 + HA ILE 32 OK 75 83 90 100 4.1-5.6 1.8/10858=84...(16) Violated in 19 structures by 0.74 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 - 5.6-7.7 Violated in 20 structures by 2.47 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 poor 19 97 20 - 5.3-8.5 Violated in 20 structures by 1.55 A. Peak 10825 from cnoeabs.peaks (2.96, 1.82, 38.56 ppm; 5.54 A): 3 out of 10 assignments used, quality = 0.66: HE3 LYS 31 + HB ILE 32 OK 35 97 40 90 5.1-9.8 ~10766=18, 10840/2.1=17...(41) HE2 LYS 26 + HB ILE 32 OK 29 97 30 100 4.9-16.7 3.0/10833=84, ~10767=49...(31) HE2 LYS 31 + HB ILE 32 OK 26 99 30 89 5.0-10.0 10766/2.1=21, ~10840=19...(35) HE3 LYS 26 - HB ILE 32 far 14 97 15 - 4.6-16.1 HE2 LYS 36 - HB ILE 32 far 10 100 10 - 4.4-10.1 HE3 LYS 36 - HB ILE 32 far 5 100 5 - 6.1-10.4 HE3 LYS 19 - HB ILE 32 far 0 99 0 - 7.5-22.2 HE2 LYS 24 - HB ILE 32 far 0 100 0 - 7.8-25.0 HE2 LYS 19 - HB ILE 32 far 0 100 0 - 8.8-24.0 HE3 LYS 24 - HB ILE 32 far 0 100 0 - 9.0-25.2 Violated in 9 structures by 0.39 A. Peak 10827 from cnoeabs.peaks (4.31, 0.78, 12.54 ppm; 4.64 A): 0 out of 8 assignments used, quality = 0.00: HA THR 25 - QD1 ILE 32 poor 16 81 20 - 1.9-12.2 HA LYS 24 - QD1 ILE 32 far 4 76 5 - 5.2-15.9 HA ARG 23 - QD1 ILE 32 far 3 68 5 - 5.3-15.1 HA LEU 69 - QD1 ILE 32 far 0 85 0 - 6.6-17.0 HA ALA 21 - QD1 ILE 32 far 0 78 0 - 6.9-18.8 HA THR 18 - QD1 ILE 32 far 0 83 0 - 7.2-20.7 HA ALA 15 - QD1 ILE 32 far 0 65 0 - 7.6-23.4 HA2 GLY 75 - QD1 ILE 32 far 0 99 0 - 8.6-15.4 Violated in 17 structures by 1.93 A. Peak 10828 from cnoeabs.peaks (4.38, 0.85, 17.13 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.97: HA SER 33 + QG2 ILE 32 OK 97 97 100 100 3.1-4.0 10777=95, 3.0/6362=86...(28) HA CYS 73 - QG2 ILE 32 far 0 100 0 - 9.4-13.7 HA ASP 78 - QG2 ILE 32 far 0 100 0 - 9.9-16.3 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 10 assignments used, quality = 0.99: QB ALA 29 + HA ILE 32 OK 92 92 100 100 4.8-6.2 2.1/10753=100, ~10734=93...(17) HG3 LYS 31 + HA ILE 32 OK 71 71 100 100 3.3-6.6 ~809=80, ~6343=77...(14) HG3 LYS 26 + HA ILE 32 OK 40 90 45 97 3.4-15.5 ~10833=72, ~10837=43...(19) QB ALA 28 - HA ILE 32 poor 14 87 40 41 5.7-8.4 ~10781=17, 11541/4.2=17 HG2 LYS 36 - HA ILE 32 far 14 92 15 - 5.2-10.4 HG2 LYS 24 - HA ILE 32 far 5 93 5 - 6.6-21.6 QB ALA 15 - HA ILE 32 far 4 89 5 - 6.9-23.1 QB ALA 21 - HA ILE 32 far 0 73 0 - 8.0-19.3 HG2 LYS 19 - HA ILE 32 far 0 100 0 - 8.5-20.4 QB ALA 12 - HA ILE 32 far 0 99 0 - 9.4-30.0 Violated in 0 structures by 0.00 A. Peak 10832 from cnoeabs.peaks (1.67, 4.11, 61.16 ppm; 4.79 A): 4 out of 10 assignments used, quality = 0.91: HD3 LYS 31 + HA ILE 32 OK 56 99 60 95 2.7-7.6 ~809=36, ~6343=35...(29) HD2 LYS 31 + HA ILE 32 OK 52 99 55 95 2.6-7.9 ~809=36, ~6343=35...(27) HD2 LYS 26 + HA ILE 32 OK 38 99 40 97 2.2-16.5 10833/3.0=61...(26) HD3 LYS 26 + HA ILE 32 OK 34 97 35 98 2.1-15.3 10767/891=54, ~10833=48...(28) HD2 LYS 36 - HA ILE 32 far 15 100 15 - 3.3-8.1 HD3 LYS 36 - HA ILE 32 far 15 100 15 - 4.7-9.8 HD3 LYS 24 - HA ILE 32 far 0 99 0 - 6.3-22.9 HD2 LYS 24 - HA ILE 32 far 0 99 0 - 7.8-22.7 HD2 LYS 19 - HA ILE 32 far 0 85 0 - 8.3-20.9 HD3 LYS 19 - HA ILE 32 far 0 85 0 - 9.2-21.9 Violated in 1 structures by 0.02 A. Peak 10833 from cnoeabs.peaks (1.68, 1.82, 38.56 ppm; 4.66 A): 1 out of 7 assignments used, quality = 0.25: HD2 LYS 26 + HB ILE 32 OK 25 83 30 99 4.4-15.8 ~10767=45, 10837/2.1=44...(35) HD3 LYS 26 - HB ILE 32 poor 20 78 25 - 4.8-14.9 HD2 LYS 31 - HB ILE 32 poor 17 85 20 - 4.9-9.0 HD2 LYS 36 - HB ILE 32 far 15 97 15 - 4.6-8.0 HD3 LYS 31 - HB ILE 32 far 12 83 15 - 4.6-9.2 HD3 LYS 36 - HB ILE 32 far 0 97 0 - 5.8-9.4 HD3 LYS 24 - HB ILE 32 far 0 83 0 - 8.4-23.3 Violated in 17 structures by 4.61 A. Peak 10834 from cnoeabs.peaks (2.02, 1.82, 38.56 ppm; 5.92 A): 1 out of 3 assignments used, quality = 0.25: HB3 GLU 30 + HB ILE 32 OK 25 100 25 100 6.6-7.8 10830/6352=88, ~10769=73...(11) HB VAL 20 - HB ILE 32 far 4 85 5 - 5.8-23.0 QE MET 11 - HB ILE 32 far 0 83 0 - 9.6-32.7 Violated in 20 structures by 1.19 A. Peak 10837 from cnoeabs.peaks (1.67, 0.85, 17.13 ppm; 3.52 A): 2 out of 11 assignments used, quality = 0.47: HD3 LYS 26 + QG2 ILE 32 OK 29 90 35 92 2.6-13.3 10767/907=33, ~10833=30...(25) HD2 LYS 26 + QG2 ILE 32 OK 26 93 30 92 2.3-14.4 10833/2.1=40...(27) HD2 LYS 31 - QG2 ILE 32 poor 19 95 20 - 3.8-8.6 HD2 LYS 36 - QG2 ILE 32 far 15 100 15 - 1.8-6.7 HD3 LYS 36 - QG2 ILE 32 far 15 100 15 - 2.9-7.7 HD3 LYS 31 - QG2 ILE 32 far 14 93 15 - 4.0-8.4 HD3 LYS 24 - QG2 ILE 32 far 0 93 0 - 5.1-19.7 HD3 LYS 19 - QG2 ILE 32 far 0 71 0 - 5.7-20.3 HD2 LYS 19 - QG2 ILE 32 far 0 71 0 - 6.4-19.5 HD2 LYS 24 - QG2 ILE 32 far 0 95 0 - 6.6-19.7 HB2 LEU 69 - QG2 ILE 32 far 0 100 0 - 8.6-16.8 Violated in 14 structures by 3.10 A. Peak 10840 from cnoeabs.peaks (2.97, 0.85, 17.13 ppm; 3.94 A): 4 out of 10 assignments used, quality = 0.81: HE2 LYS 26 + QG2 ILE 32 OK 43 99 45 96 2.1-15.2 10757=46, 3.0/10837=35...(20) HE3 LYS 26 + QG2 ILE 32 OK 38 99 40 96 3.2-14.0 1.8/10757=40...(19) HE3 LYS 31 + QG2 ILE 32 OK 30 99 40 75 3.8-9.5 10721=14, 1.8/10721=12...(18) HE2 LYS 31 + QG2 ILE 32 OK 22 98 30 74 3.4-9.1 10721=15, 9008/930=12...(16) HE3 LYS 36 - QG2 ILE 32 far 14 96 15 - 3.2-8.4 HE2 LYS 36 - QG2 ILE 32 far 14 90 15 - 1.8-8.5 HE3 LYS 19 - QG2 ILE 32 far 5 98 5 - 4.8-18.6 HE2 LYS 24 - QG2 ILE 32 far 4 87 5 - 4.8-21.1 HE2 LYS 19 - QG2 ILE 32 far 0 92 0 - 5.7-20.0 HE3 LYS 24 - QG2 ILE 32 far 0 96 0 - 6.3-21.4 Violated in 5 structures by 0.33 A. Peak 10842 from cnoeabs.peaks (1.68, 1.16, 27.21 ppm; 4.78 A): 4 out of 10 assignments used, quality = 0.85: HD2 LYS 31 + HG12 ILE 32 OK 42 90 50 94 2.8-8.9 5.2/10816=38...(55) HD3 LYS 26 + HG12 ILE 32 OK 38 85 45 98 2.8-13.3 ~10833=49, 10837/907=47...(37) HD3 LYS 31 + HG12 ILE 32 OK 37 89 45 94 2.5-9.0 5.2/10816=38...(58) HD2 LYS 26 + HG12 ILE 32 OK 35 89 40 99 2.5-14.6 10833/2.9=68...(35) HD2 LYS 36 - HG12 ILE 32 far 10 99 10 - 4.2-10.2 HD3 LYS 36 - HG12 ILE 32 far 0 99 0 - 5.9-11.9 HD3 LYS 24 - HG12 ILE 32 far 0 89 0 - 6.4-20.8 HD3 LYS 19 - HG12 ILE 32 far 0 63 0 - 7.8-21.6 HD2 LYS 19 - HG12 ILE 32 far 0 63 0 - 8.0-20.5 HD2 LYS 24 - HG12 ILE 32 far 0 90 0 - 8.1-20.7 Violated in 3 structures by 0.09 A. Peak 10843 from cnoeabs.peaks (1.95, 1.16, 27.21 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.63: HB2 GLU 30 + HG12 ILE 32 OK 40 100 40 100 5.3-7.7 10769/1.8=94...(15) HB2 GLN 27 + HG12 ILE 32 OK 38 96 40 99 2.9-10.0 3.0/10764=84...(10) Violated in 13 structures by 0.49 A. Peak 10844 from cnoeabs.peaks (2.38, 1.16, 27.21 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.68: HG3 GLN 27 + HG12 ILE 32 OK 48 81 60 100 3.0-9.6 1.8/10764=99...(11) HG2 GLN 27 + HG12 ILE 32 OK 39 65 60 99 2.1-9.7 3.0/10768=72, 10764=71...(10) Violated in 7 structures by 0.53 A. Peak 10845 from cnoeabs.peaks (1.94, 1.44, 27.21 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.73: HB2 GLU 30 + HG13 ILE 32 OK 73 93 80 98 4.2-7.9 10829/6355=66, ~10834=40...(12) HB2 GLN 27 - HG13 ILE 32 poor 19 76 25 - 2.9-9.0 Violated in 14 structures by 0.48 A. Peak 10846 from cnoeabs.peaks (2.76, 0.78, 12.54 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.58: HB3 ASP 35 + QD1 ILE 32 OK 58 96 80 75 3.3-10.0 10883/928=24...(11) HB2 ASP 64 - QD1 ILE 32 far 0 97 0 - 7.1-21.5 HB3 ASP 78 - QD1 ILE 32 far 0 73 0 - 9.8-18.0 Violated in 5 structures by 0.88 A. Peak 10847 from cnoeabs.peaks (3.14, 0.78, 12.54 ppm; 6.29 A): 0 out of 3 assignments used, quality = 0.00: HB3 CYS 45 - QD1 ILE 32 far 10 99 10 - 6.9-17.8 HD2 ARG 23 - QD1 ILE 32 far 3 60 5 - 4.7-18.7 HD3 ARG 23 - QD1 ILE 32 far 3 60 5 - 6.1-18.0 Violated in 19 structures by 3.02 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: HB2 ASP 71 - QD1 ILE 32 far 5 100 5 - 4.6-16.2 Violated in 19 structures by 7.30 A. Peak 10849 from cnoeabs.peaks (2.49, 0.78, 12.54 ppm; 5.25 A): 0 out of 2 assignments used, quality = 0.00: HG2 MET 11 - QD1 ILE 32 far 0 68 0 - 8.9-31.2 HB2 ASP 78 - QD1 ILE 32 far 0 83 0 - 9.3-16.6 Violated in 20 structures by 7.59 A. Peak 10850 from cnoeabs.peaks (1.81, 4.40, 58.29 ppm; 4.07 A): 2 out of 7 assignments used, quality = 1.00: HB ILE 32 + HA SER 33 OK 95 100 95 100 4.1-5.1 6361/3.0=79...(23) HB2 LYS 36 + HA SER 33 OK 93 100 95 98 2.1-7.2 1.8/10778=72...(9) HB3 LEU 103 - HA SER 107 far 7 68 10 - 4.3-7.1 HB3 LYS 26 - HA SER 33 far 0 99 0 - 6.5-17.0 HB3 LYS 19 - HA SER 33 far 0 100 0 - 7.7-21.7 HB3 LYS 31 - HA SER 33 far 0 100 0 - 7.8-9.2 HB3 ARG 23 - HA SER 33 far 0 97 0 - 9.8-24.5 Violated in 1 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (0.85, 4.40, 58.29 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: QG2 ILE 32 + HA SER 33 OK 100 100 100 100 3.1-4.0 6362/3.0=78, 10828=75...(28) QD1 LEU 98 - HA SER 9 far 0 96 0 - 7.2-50.7 QD2 LEU 22 - HA SER 33 far 0 97 0 - 8.4-24.1 QD2 LEU 98 - HA SER 9 far 0 70 0 - 8.9-52.2 QG2 VAL 57 - HA SER 107 far 0 83 0 - 9.0-12.5 QD1 LEU 98 - HA SER 107 far 0 83 0 - 9.4-15.1 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 14 assignments used, quality = 0.42: QB ALA 108 + HA SER 107 OK 42 72 60 96 3.7-4.9 2.9/7555=66...(13) QB ALA 109 - HA SER 107 poor 19 79 55 43 3.6-7.4 2.9/3503=16...(7) QB ALA 34 - HA SER 33 far 14 90 15 - 4.0-5.0 HG2 LYS 36 - HA SER 33 far 12 78 15 - 4.5-7.6 QB ALA 110 - HA SER 107 far 3 68 5 - 3.5-9.0 QB ALA 29 - HA SER 33 far 0 78 0 - 4.7-8.9 HG3 LYS 31 - HA SER 33 far 0 96 0 - 6.5-9.5 HG3 LYS 26 - HA SER 33 far 0 81 0 - 6.7-18.0 QB ALA 15 - HA SER 9 far 0 82 0 - 7.4-17.5 QB ALA 16 - HA SER 33 far 0 100 0 - 7.9-25.7 QB ALA 28 - HA SER 33 far 0 85 0 - 8.5-11.5 HB3 LEU 100 - HA SER 107 far 0 62 0 - 9.7-12.3 QB ALA 16 - HA SER 9 far 0 100 0 - 9.9-19.3 QB ALA 15 - HA SER 107 far 0 68 0 - 10.0-42.9 Violated in 19 structures by 0.77 A. Peak 10853 from cnoeabs.peaks (1.87, 4.40, 58.29 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.81: HB3 LYS 36 + HA SER 33 OK 81 97 85 98 3.5-8.0 10810/10777=46...(10) HB3 LEU 119 - HA SER 107 far 0 89 0 - 7.7-14.3 Violated in 5 structures by 0.45 A. Peak 10854 from cnoeabs.peaks (1.66, 4.40, 58.29 ppm; 4.56 A): 2 out of 10 assignments used, quality = 0.99: HD2 LYS 36 + HA SER 33 OK 91 97 95 98 2.0-5.7 3.5/10778=63...(20) HD3 LYS 36 + HA SER 33 OK 86 97 90 98 2.9-5.7 3.5/10778=63...(19) HD2 LYS 31 - HA SER 33 far 5 100 5 - 5.3-10.4 HD3 LYS 26 - HA SER 33 far 5 100 5 - 5.2-19.0 HD2 LYS 26 - HA SER 33 far 0 100 0 - 6.4-19.9 HD3 LYS 31 - HA SER 33 far 0 100 0 - 6.6-10.5 HG LEU 62 - HA SER 107 far 0 82 0 - 8.1-12.0 HB2 LEU 98 - HA SER 9 far 0 98 0 - 9.4-60.3 HD2 LYS 19 - HA SER 33 far 0 97 0 - 9.6-24.7 HD3 LYS 24 - HA SER 33 far 0 100 0 - 9.7-27.2 Violated in 2 structures by 0.03 A. Peak 10856 from cnoeabs.peaks (1.82, 3.85, 63.71 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.94: HB2 LYS 36 + HB3 SER 33 OK 94 100 95 99 3.7-6.9 10107/1.8=51, ~10778=49...(12) HB ILE 32 - HB3 SER 33 far 5 100 5 - 5.1-7.1 HB3 LYS 26 - HB3 SER 33 far 5 100 5 - 5.4-18.5 HB3 LYS 19 - HB3 SER 33 far 0 99 0 - 6.3-20.9 HB3 LYS 31 - HB3 SER 33 far 0 99 0 - 8.0-10.6 HB3 ARG 23 - HB3 SER 33 far 0 100 0 - 8.5-24.9 Violated in 3 structures by 0.13 A. Peak 10857 from cnoeabs.peaks (4.11, 4.40, 58.29 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: HA ILE 32 + HA SER 33 OK 100 100 100 100 4.4-4.6 6360/3.0=87, 10821=76...(19) HA GLN 104 - HA SER 107 poor 11 66 80 21 3.4-6.8 1492/3.0=10, 10858/3.0=5...(5) HA GLN 101 - HA SER 107 far 0 87 0 - 7.6-10.9 HA LEU 98 - HA SER 9 far 0 99 0 - 8.8-58.3 HA3 GLY 114 - HA SER 107 far 0 79 0 - 8.8-15.8 HA GLN 101 - HA SER 9 far 0 98 0 - 9.3-53.9 Violated in 20 structures by 0.45 A. Peak 10858 from cnoeabs.peaks (4.10, 3.91, 63.71 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.99: HA ILE 32 + HB2 SER 33 OK 99 99 100 100 3.9-4.7 6360/6367=80...(15) HA GLN 104 - HB2 SER 107 poor 8 78 45 24 2.7-6.5 1492/1.8=13, ~7481=6 HA3 GLY 114 - HB2 SER 107 far 0 62 0 - 8.1-18.4 HA GLN 101 - HB2 SER 107 far 0 87 0 - 8.7-11.5 Violated in 15 structures by 0.09 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 10 99 10 - 4.1-5.6 Violated in 20 structures by 1.33 A. Peak 10860 from cnoeabs.peaks (1.67, 3.85, 63.71 ppm; 5.23 A): 2 out of 9 assignments used, quality = 0.99: HD3 LYS 36 + HB3 SER 33 OK 94 100 95 99 2.2-6.2 3.5/10779=76...(14) HD2 LYS 36 + HB3 SER 33 OK 89 100 90 100 2.5-6.8 3.5/10779=76...(14) HD3 LYS 26 - HB3 SER 33 far 10 99 10 - 4.8-20.6 HD2 LYS 26 - HB3 SER 33 far 5 99 5 - 5.8-21.5 HD2 LYS 31 - HB3 SER 33 far 0 100 0 - 6.4-11.7 HD3 LYS 31 - HB3 SER 33 far 0 99 0 - 6.5-11.4 HD2 LYS 19 - HB3 SER 33 far 0 89 0 - 7.4-24.1 HD3 LYS 19 - HB3 SER 33 far 0 89 0 - 8.6-24.9 HD3 LYS 24 - HB3 SER 33 far 0 99 0 - 9.2-28.3 Violated in 2 structures by 0.03 A. Peak 10861 from cnoeabs.peaks (1.40, 3.85, 63.71 ppm; 4.22 A): 1 out of 10 assignments used, quality = 0.89: QB ALA 34 + HB3 SER 33 OK 89 93 95 100 3.8-5.3 2.1/10864=78, 2.9/949=76...(13) HG2 LYS 36 - HB3 SER 33 far 11 73 15 - 4.7-7.7 HG2 LYS 26 - HB3 SER 33 far 0 63 0 - 5.3-20.1 HG3 LYS 26 - HB3 SER 33 far 0 76 0 - 6.2-20.2 QB ALA 29 - HB3 SER 33 far 0 73 0 - 7.0-10.3 HG3 LYS 31 - HB3 SER 33 far 0 93 0 - 7.2-9.8 QB ALA 16 - HB3 SER 33 far 0 100 0 - 8.3-25.4 QB ALA 15 - HB3 SER 33 far 0 78 0 - 8.8-26.0 QB ALA 28 - HB3 SER 33 far 0 81 0 - 9.8-12.8 HG2 LYS 24 - HB3 SER 33 far 0 71 0 - 9.9-26.9 Violated in 17 structures by 0.28 A. Peak 10862 from cnoeabs.peaks (0.87, 3.85, 63.71 ppm; 4.90 A): 1 out of 4 assignments used, quality = 0.93: QG2 ILE 32 + HB3 SER 33 OK 93 93 100 100 4.5-5.0 6362/945=84...(22) QG2 VAL 20 - HB3 SER 33 far 0 76 0 - 7.9-20.4 QD1 LEU 22 - HB3 SER 33 far 0 68 0 - 8.6-24.0 QD2 LEU 22 - HB3 SER 33 far 0 65 0 - 9.3-24.7 Violated in 1 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (0.79, 3.85, 63.71 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.94: QD1 ILE 37 + HB3 SER 33 OK 94 95 100 100 2.2-5.6 11437/1.8=83...(9) QD1 ILE 32 - HB3 SER 33 far 0 92 0 - 6.6-7.6 Violated in 1 structures by 0.01 A. Peak 10864 from cnoeabs.peaks (4.21, 3.85, 63.71 ppm; 3.93 A): 1 out of 6 assignments used, quality = 0.92: HA ALA 34 + HB3 SER 33 OK 92 97 95 100 3.9-5.7 3.0/949=68, 2.1/10861=63...(17) HA GLU 30 - HB3 SER 33 far 0 96 0 - 7.4-12.0 HB3 SER 38 - HB3 SER 33 far 0 98 0 - 8.2-11.8 HA ALA 29 - HB3 SER 33 far 0 92 0 - 8.2-11.6 HB THR 25 - HB3 SER 33 far 0 96 0 - 8.7-21.3 HB THR 18 - HB3 SER 33 far 0 83 0 - 9.6-27.4 Violated in 15 structures by 0.19 A. Peak 10865 from cnoeabs.peaks (4.20, 3.91, 63.71 ppm; 3.91 A): 0 out of 9 assignments used, quality = 0.00: HA VAL 105 - HB2 SER 107 far 8 81 10 - 4.6-7.7 HA ALA 34 - HB2 SER 33 far 4 76 5 - 4.4-5.7 HA GLU 30 - HB2 SER 33 far 0 73 0 - 7.4-10.8 HA ALA 29 - HB2 SER 33 far 0 65 0 - 7.4-10.4 HB THR 25 - HB2 SER 33 far 0 100 0 - 7.8-19.8 HA SER 99 - HB2 SER 107 far 0 74 0 - 8.2-14.2 HB THR 18 - HB2 SER 33 far 0 99 0 - 8.4-26.3 HA LEU 53 - HB2 SER 107 far 0 60 0 - 9.2-18.6 HB3 SER 38 - HB2 SER 33 far 0 81 0 - 9.3-12.3 Violated in 20 structures by 0.72 A. Peak 10866 from cnoeabs.peaks (1.67, 3.92, 63.62 ppm; 5.25 A): 2 out of 11 assignments used, quality = 0.94: HD2 LYS 36 + HB2 SER 33 OK 82 87 95 99 2.6-7.0 10855/6367=47...(15) HD3 LYS 36 + HB2 SER 33 OK 69 87 80 98 3.6-6.9 3.5/10107=47...(14) HD2 LYS 26 - HB2 SER 33 far 12 83 15 - 4.9-20.1 HD3 LYS 31 - HB2 SER 33 far 12 83 15 - 5.3-9.7 HD3 LYS 26 - HB2 SER 33 far 12 81 15 - 3.5-19.1 HD2 LYS 31 - HB2 SER 33 lone 4 84 30 17 4.7-10.0 10763/10858=13, 854/6367=2 HG LEU 62 - HB2 SER 107 far 0 81 0 - 6.5-14.8 HD2 LYS 19 - HB2 SER 33 far 0 66 0 - 7.4-22.6 HD3 LYS 24 - HB2 SER 33 far 0 83 0 - 8.4-26.7 HD3 LYS 19 - HB2 SER 33 far 0 66 0 - 8.8-23.7 HD2 LYS 24 - HB2 SER 33 far 0 84 0 - 9.5-26.7 Violated in 1 structures by 0.05 A. Peak 10868 from cnoeabs.peaks (8.25, 4.22, 53.50 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.78: H SER 33 + HA ALA 34 OK 78 89 90 97 4.3-4.8 6364/2.1=61, 6369/3.0=59...(10) H ARG 23 - HA ALA 34 far 0 100 0 - 10.0-28.0 Violated in 20 structures by 0.65 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 95 97 100 98 3.2-3.7 6413/10789=55...(8) H LYS 36 + HA ALA 34 OK 85 87 100 98 3.4-3.7 6385/6380=61...(11) H SER 38 - HA ALA 34 far 5 100 5 - 3.6-7.5 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 2.1-2.5 2.1/10873=89, 9005=83...(14) 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 4.1-4.7 9004=99, 2.1/10789=88...(13) QG1 VAL 20 - HA ALA 34 far 0 65 0 - 6.5-21.9 Violated in 1 structures by 0.01 A. Peak 10873 from cnoeabs.peaks (0.77, 4.22, 53.50 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 37 + HA ALA 34 OK 100 100 100 100 1.9-3.2 10830=62, 1094/9004=56...(17) QD1 ILE 32 - HA ALA 34 far 0 100 0 - 5.6-7.8 Violated in 0 structures by 0.00 A. Peak 10874 from cnoeabs.peaks (1.54, 4.22, 53.50 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.76: HG13 ILE 37 + HA ALA 34 OK 76 76 100 100 2.2-2.8 2.1/10873=90...(14) HB3 LEU 42 - HA ALA 34 far 0 99 0 - 8.4-10.0 HB2 LEU 22 - HA ALA 34 far 0 99 0 - 8.8-27.9 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 = 0.99: HB ILE 37 + HA ALA 34 OK 99 99 100 100 4.2-4.6 9003=86, 2.1/9004=69...(11) Violated in 20 structures by 0.59 A. Peak 10877 from cnoeabs.peaks (1.96, 1.42, 18.75 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.25: HB ILE 37 + QB ALA 34 OK 25 99 25 100 4.5-5.5 10816=82, 10876/2.1=80...(22) HB2 GLU 30 - QB ALA 16 far 0 53 0 - 6.8-20.3 HB ILE 37 - QB ALA 16 far 0 51 0 - 7.9-30.2 HB2 GLN 27 - QB ALA 34 far 0 100 0 - 8.2-16.9 HB2 GLU 30 - QB ALA 34 far 0 100 0 - 9.6-13.0 Violated in 20 structures by 1.03 A. Peak 10878 from cnoeabs.peaks (7.98, 1.42, 18.75 ppm; 4.20 A): 3 out of 8 assignments used, quality = 0.99: H LYS 36 + QB ALA 34 OK 95 96 100 100 4.1-4.4 6385/6381=80...(11) H ILE 37 + QB ALA 34 OK 83 89 100 94 4.4-4.9 3.8/10793=52...(6) H THR 18 + QB ALA 16 OK 29 49 75 78 3.0-6.0 6134/3.7=60, 6138/4.7=25...(4) H SER 38 - QB ALA 34 far 5 100 5 - 4.0-8.2 H LYS 36 - QB ALA 16 far 0 48 0 - 6.6-27.7 H THR 18 - QB ALA 34 far 0 97 0 - 7.0-23.9 H ILE 37 - QB ALA 16 far 0 42 0 - 7.7-28.6 H ASP 64 - QB ALA 16 far 0 31 0 - 9.8-35.6 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 2 assignments used, quality = 0.00: HB2 SER 38 - HA ASP 35 far 4 76 5 - 4.1-9.6 HA ILE 37 - HA ASP 35 far 0 89 0 - 6.6-7.2 Violated in 19 structures by 1.96 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 5 98 5 - 5.6-7.7 HA CYS 79 - HB2 ASP 35 far 0 96 0 - 9.7-16.8 Violated in 20 structures by 1.69 A. Peak 10883 from cnoeabs.peaks (4.11, 2.75, 40.19 ppm; 5.37 A): 2 out of 8 assignments used, quality = 0.82: HA ILE 32 + HB3 ASP 35 OK 64 100 75 85 5.3-8.5 928/10846=74...(5) HA CYS 79 + HB3 ASP 78 OK 49 56 100 87 5.2-5.8 ~7061=66, 9687/7056=62 HA LEU 49 - HB2 ASP 64 far 0 65 0 - 7.7-11.2 HA ILE 80 - HB3 ASP 78 far 0 45 0 - 8.5-8.6 HA GLN 104 - HB2 ASP 64 far 0 47 0 - 8.5-11.5 HA CYS 45 - HB2 ASP 64 far 0 57 0 - 9.0-11.6 HA CYS 79 - HB3 ASP 35 far 0 100 0 - 9.3-16.3 HA ALA 52 - HB2 ASP 64 far 0 42 0 - 9.6-12.8 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 5 assignments used, quality = 0.99: QB ALA 34 + HA ASP 35 OK 99 99 100 100 3.8-4.0 6381/3.0=88...(11) QB ALA 16 - HA ASP 35 far 5 99 5 - 4.5-28.5 HG2 LYS 26 - HA ASP 35 far 0 83 0 - 6.0-20.1 HG13 ILE 32 - HA ASP 35 far 0 68 0 - 8.0-12.2 QB ALA 28 - HA ASP 35 far 0 60 0 - 9.4-15.8 Violated in 0 structures by 0.00 A. Peak 10887 from cnoeabs.peaks (1.41, 2.67, 40.19 ppm; 5.41 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 34 + HB2 ASP 35 OK 99 99 100 100 3.9-5.4 6381/6383=99...(5) HG13 ILE 32 - HB2 ASP 35 poor 19 68 30 94 5.8-10.9 ~10846=74, ~10771=42...(7) QB ALA 16 - HB2 ASP 35 far 5 99 5 - 5.8-27.7 HG2 LYS 26 - HB2 ASP 35 far 4 83 5 - 3.4-18.4 QB ALA 28 - HB2 ASP 35 far 0 60 0 - 7.2-14.8 HG2 LYS 31 - HB2 ASP 35 far 0 60 0 - 8.5-12.2 HG3 LYS 31 - HB2 ASP 35 far 0 78 0 - 8.5-12.5 Violated in 0 structures by 0.00 A. Peak 10888 from cnoeabs.peaks (1.42, 2.75, 40.19 ppm; 6.64 A): 3 out of 13 assignments used, quality = 1.00: QB ALA 34 + HB3 ASP 35 OK 100 100 100 100 3.8-5.7 6381/4.0=100...(6) HG13 ILE 32 + HB3 ASP 35 OK 60 76 80 99 5.3-11.3 2.1/10846=93...(6) HG2 LYS 86 + HB3 ASP 78 OK 51 55 100 92 5.8-6.9 11742/11206=51...(5) QB ALA 34 - HB3 ASP 78 poor 11 56 20 - 5.6-12.4 QB ALA 16 - HB3 ASP 35 far 5 97 5 - 4.6-26.7 HG2 LYS 26 - HB3 ASP 35 far 4 89 5 - 4.0-18.1 HG3 LYS 19 - HB3 ASP 35 far 3 63 5 - 6.0-26.3 HG3 LYS 19 - HB3 ASP 78 far 1 28 5 - 6.9-35.5 QB ALA 16 - HB3 ASP 78 far 0 51 0 - 8.0-33.8 HG2 LYS 26 - HB2 ASP 64 far 0 52 0 - 8.1-35.7 HG3 LYS 31 - HB3 ASP 35 far 0 71 0 - 8.2-13.7 HG2 LYS 31 - HB3 ASP 35 far 0 68 0 - 8.5-12.1 QB ALA 16 - HB2 ASP 64 far 0 60 0 - 9.4-34.7 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 22 assignments used, quality = 0.67: QG2 ILE 32 + HB2 LYS 36 OK 57 95 65 92 2.4-6.3 10810/1.8=62...(8) QG2 VAL 20 + HB3 LYS 19 OK 24 68 35 100 3.8-5.8 2.1/10712=65...(24) QD2 LEU 22 - HB3 LYS 24 poor 19 62 30 - 3.8-7.2 QD1 LEU 22 - HB3 LYS 24 poor 18 59 55 56 2.4-7.7 10748/1.8=24...(5) QG2 ILE 32 - HB3 LYS 26 poor 16 88 25 73 3.4-11.8 10837/3.5=29...(13) QD1 LEU 22 - HB3 LYS 31 far 9 61 15 - 4.1-20.7 QG2 VAL 20 - HB3 LYS 31 far 7 69 10 - 3.5-16.0 QG2 ILE 32 - HB3 LYS 19 far 4 90 5 - 4.5-16.9 QG2 VAL 20 - HB3 LYS 24 far 3 67 5 - 2.7-10.3 QD2 LEU 22 - HB3 LYS 31 far 3 64 5 - 3.3-19.4 QD2 LEU 22 - HB3 LYS 19 far 0 63 0 - 5.1-9.9 QG2 VAL 20 - HB3 LYS 26 far 0 67 0 - 5.3-13.2 QD1 LEU 22 - HB3 LYS 19 far 0 61 0 - 5.9-10.4 QD1 LEU 22 - HB3 LYS 26 far 0 59 0 - 6.1-13.5 QG2 VAL 20 - HB2 LYS 36 far 0 73 0 - 6.2-21.8 QG2 ILE 32 - HB3 LYS 24 far 0 89 0 - 6.5-18.1 QG2 ILE 32 - HB3 LYS 31 far 0 90 0 - 6.5-7.1 QD2 LEU 22 - HB3 LYS 26 far 0 62 0 - 6.5-13.7 QG2 VAL 57 - HB3 LYS 24 far 0 95 0 - 9.1-37.8 QD2 LEU 22 - HB2 LYS 36 far 0 68 0 - 9.2-23.1 QD2 LEU 69 - HB2 LYS 36 far 0 100 0 - 9.6-13.6 QD2 LEU 70 - HB3 LYS 24 far 0 91 0 - 9.7-32.0 Violated in 16 structures by 0.18 A. Peak 10899 from cnoeabs.peaks (0.84, 1.88, 32.86 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.33: QG2 ILE 32 + HB3 LYS 36 OK 33 97 40 84 2.9-7.8 10892/6393=52...(5) QD2 LEU 69 - HB3 LYS 36 far 0 71 0 - 8.3-14.3 QD2 LEU 22 - HB3 LYS 36 far 0 100 0 - 9.9-23.6 Violated in 19 structures by 1.35 A. Peak 10900 from cnoeabs.peaks (0.88, 1.38, 24.92 ppm; 4.62 A): 3 out of 22 assignments used, quality = 0.76: QD1 LEU 22 + HG2 LYS 24 OK 50 65 90 85 1.9-6.3 10748/2.9=29...(12) QG2 VAL 20 + HG2 LYS 19 OK 38 42 90 100 2.7-6.1 2.1/10714=97...(15) QG1 VAL 20 + HG2 LYS 19 OK 24 24 100 100 2.1-3.6 2.1/10683=81...(20) QG2 ILE 32 - HG3 LYS 26 poor 14 35 40 - 3.5-13.2 QG2 ILE 32 - HG2 LYS 36 far 11 71 15 - 3.7-8.0 QD1 LEU 22 - HG3 LYS 31 far 10 69 15 - 4.6-22.0 QG2 ILE 32 - HG3 LYS 31 far 8 50 15 - 4.6-7.7 QG2 VAL 20 - HG2 LYS 24 far 7 69 10 - 3.7-9.0 QG2 VAL 20 - HG3 LYS 31 far 4 73 5 - 4.6-17.2 QG2 VAL 20 - HG3 LYS 26 far 3 53 5 - 3.7-13.1 QD1 LEU 22 - HG3 LYS 26 far 2 50 5 - 4.9-12.9 QG1 VAL 20 - HG3 LYS 31 far 2 44 5 - 3.9-16.8 QG1 VAL 20 - HG3 LYS 26 far 2 31 5 - 4.4-13.6 QG2 ILE 32 - HG2 LYS 19 far 1 27 5 - 4.9-18.9 QG1 VAL 20 - HG2 LYS 24 far 0 41 0 - 5.6-10.6 QD1 LEU 22 - HG2 LYS 19 far 0 39 0 - 5.9-10.5 QG2 ILE 32 - HG2 LYS 24 far 0 47 0 - 6.2-18.9 QD2 LEU 48 - HG3 LYS 26 far 0 29 0 - 7.5-31.6 QD2 LEU 69 - HG2 LYS 36 far 0 97 0 - 8.0-13.5 QG2 VAL 20 - HG2 LYS 36 far 0 96 0 - 8.3-23.3 QD2 LEU 48 - HG2 LYS 24 far 0 39 0 - 9.0-31.7 QG1 VAL 20 - HG2 LYS 36 far 0 63 0 - 9.1-23.7 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 3 assignments used, quality = 0.00: QG2 ILE 32 - HG3 LYS 36 far 12 78 15 - 2.4-8.0 QG2 VAL 20 - HG3 LYS 36 far 0 92 0 - 8.2-22.9 QD2 LEU 69 - HG3 LYS 36 far 0 99 0 - 8.4-12.9 Violated in 17 structures by 1.64 A. Peak 10905 from cnoeabs.peaks (1.17, 4.02, 61.28 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 41 + HA ILE 37 OK 100 100 100 100 2.4-3.3 10819/1089=90...(13) HG12 ILE 32 - HA ILE 37 far 0 100 0 - 8.4-13.3 HG3 LYS 39 - HA ILE 37 far 0 97 0 - 8.7-9.9 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 4.0-5.3 10910/2.1=100...(14) HG3 LYS 39 - HB ILE 37 far 0 100 0 - 8.5-10.5 HG2 LYS 39 - HB ILE 37 far 0 87 0 - 8.6-10.4 QG2 VAL 77 - HB ILE 37 far 0 60 0 - 8.8-10.5 Violated in 1 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (1.41, 1.97, 38.06 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 34 + HB ILE 37 OK 99 99 100 100 4.5-5.5 10877=96, 2.1/10789=92...(22) QB ALA 16 - HB ILE 37 far 0 99 0 - 7.9-30.2 Violated in 19 structures by 0.56 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 2.6-3.6 10872/10910=62...(19) QD1 ILE 129 - QG2 ILE 37 far 0 100 0 - 8.4-9.5 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 7 assignments used, quality = 0.74: QB ALA 41 + QG2 ILE 37 OK 74 83 90 100 2.3-4.5 9069=74, 9070/1094=37...(18) HG3 LYS 39 - QG2 ILE 37 far 0 99 0 - 7.1-8.9 HG2 LYS 39 - QG2 ILE 37 far 0 90 0 - 7.7-9.4 HG12 ILE 32 - QG2 ILE 37 far 0 96 0 - 8.1-11.2 QG2 THR 18 - QG2 ILE 37 far 0 81 0 - 8.6-20.5 QG1 VAL 132 - QG2 ILE 37 far 0 83 0 - 9.3-10.8 QG2 VAL 132 - QG2 ILE 37 far 0 96 0 - 9.8-11.0 Violated in 8 structures by 0.21 A. Peak 10911 from cnoeabs.peaks (1.40, 0.94, 17.33 ppm; 3.84 A): 1 out of 8 assignments used, quality = 0.81: HG2 LYS 36 + QG2 ILE 37 OK 81 92 90 98 3.3-6.5 6406/6414=45...(21) HB2 LEU 42 - QG2 ILE 37 poor 18 89 20 - 4.4-6.5 QB ALA 34 - QG2 ILE 37 far 8 76 10 - 4.4-5.5 QB ALA 29 - QG2 ILE 37 far 0 92 0 - 7.7-11.8 QB ALA 16 - QG2 ILE 37 far 0 98 0 - 7.8-24.7 HG2 LYS 86 - QG2 ILE 37 far 0 71 0 - 9.2-11.0 HG3 LYS 26 - QG2 ILE 37 far 0 93 0 - 9.3-21.2 QB ALA 15 - QG2 ILE 37 far 0 95 0 - 9.8-24.2 Violated in 19 structures by 0.67 A. Peak 10912 from cnoeabs.peaks (1.68, 0.94, 17.33 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: HD3 LYS 36 + QG2 ILE 37 OK 98 99 100 99 2.6-4.8 3.0/10820=73...(20) HD2 LYS 36 + QG2 ILE 37 OK 88 99 90 99 3.8-6.1 3.0/10820=73...(21) HB2 LEU 69 - QG2 ILE 37 far 0 99 0 - 6.3-8.9 HD3 LYS 26 - QG2 ILE 37 far 0 85 0 - 7.4-21.8 HD2 LYS 19 - QG2 ILE 37 far 0 63 0 - 7.9-24.2 HD3 LYS 19 - QG2 ILE 37 far 0 63 0 - 7.9-24.7 HD2 LYS 26 - QG2 ILE 37 far 0 89 0 - 7.9-22.4 HD2 LYS 39 - QG2 ILE 37 far 0 100 0 - 8.3-10.8 HD2 LYS 86 - QG2 ILE 37 far 0 87 0 - 9.7-13.1 Violated in 1 structures by 0.02 A. Peak 10913 from cnoeabs.peaks (1.79, 0.94, 17.33 ppm; 4.35 A): 0 out of 4 assignments used, quality = 0.00: HB2 LYS 36 - QG2 ILE 37 far 9 63 15 - 4.9-5.8 HB2 LYS 39 - QG2 ILE 37 far 0 63 0 - 7.0-8.7 HB3 LYS 19 - QG2 ILE 37 far 0 76 0 - 7.0-21.5 HB ILE 32 - QG2 ILE 37 far 0 60 0 - 7.8-9.7 Violated in 20 structures by 0.95 A. Peak 10914 from cnoeabs.peaks (1.16, 1.28, 27.60 ppm; 4.56 A): 1 out of 4 assignments used, quality = 0.39: QB ALA 41 + HG12 ILE 37 OK 39 98 40 100 4.3-6.0 9070/2.1=87...(10) QG2 THR 25 - HG12 ILE 37 far 0 68 0 - 8.4-19.1 QG2 THR 18 - HG12 ILE 37 far 0 97 0 - 8.7-23.4 HG12 ILE 32 - HG12 ILE 37 far 0 100 0 - 8.8-10.2 Violated in 19 structures by 0.91 A. Peak 10915 from cnoeabs.peaks (1.42, 1.28, 27.60 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 34 + HG12 ILE 37 OK 100 100 100 100 3.4-4.0 2.1/10871=69...(22) QB ALA 16 - HG12 ILE 37 far 0 96 0 - 6.7-28.4 HG3 LYS 19 - HG12 ILE 37 far 0 65 0 - 7.7-26.8 HG2 LYS 26 - HG12 ILE 37 far 0 90 0 - 7.8-22.4 HG13 ILE 32 - HG12 ILE 37 far 0 78 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 10916 from cnoeabs.peaks (1.84, 1.28, 27.60 ppm; 5.00 A): 1 out of 5 assignments used, quality = 0.76: HB2 LYS 36 + HG12 ILE 37 OK 76 76 100 100 4.1-5.1 4.6/6415=70...(12) HB2 CYS 79 - HG12 ILE 37 far 0 100 0 - 6.1-9.5 HB3 LYS 19 - HG12 ILE 37 far 0 63 0 - 6.4-24.9 HB ILE 32 - HG12 ILE 37 far 0 78 0 - 7.5-8.3 HB3 LYS 26 - HG12 ILE 37 far 0 81 0 - 9.6-20.5 Violated in 1 structures by 0.00 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 0 92 0 - 5.5-6.4 QG2 THR 18 - HG13 ILE 37 far 0 90 0 - 8.3-23.2 QG2 VAL 77 - HG13 ILE 37 far 0 68 0 - 8.7-11.4 HG12 ILE 32 - HG13 ILE 37 far 0 99 0 - 9.8-10.9 Violated in 20 structures by 1.84 A. Peak 10918 from cnoeabs.peaks (1.67, 0.78, 12.10 ppm; 3.65 A): 2 out of 12 assignments used, quality = 1.00: HD2 LYS 36 + QD1 ILE 37 OK 97 100 100 97 1.9-3.2 3.0/10704=34...(23) HD3 LYS 36 + QD1 ILE 37 OK 97 100 100 97 1.8-2.0 3.0/10704=34...(22) HD3 LYS 26 - QD1 ILE 37 far 0 99 0 - 4.9-19.4 HD2 LYS 26 - QD1 ILE 37 far 0 99 0 - 5.5-20.0 HD2 LYS 19 - QD1 ILE 37 far 0 89 0 - 6.5-21.9 HD3 LYS 19 - QD1 ILE 37 far 0 89 0 - 7.0-22.5 HD2 LYS 31 - QD1 ILE 37 far 0 100 0 - 7.6-12.2 HB2 LEU 69 - QD1 ILE 37 far 0 100 0 - 7.7-10.6 HD3 LYS 31 - QD1 ILE 37 far 0 99 0 - 8.3-12.1 HD3 LYS 24 - QD1 ILE 37 far 0 99 0 - 9.1-22.8 HG LEU 43 - QD1 ILE 37 far 0 76 0 - 9.7-10.5 HD2 LYS 24 - QD1 ILE 37 far 0 100 0 - 9.9-23.0 Violated in 0 structures by 0.00 A. Peak 10919 from cnoeabs.peaks (4.31, 0.94, 17.33 ppm; 4.76 A): 3 out of 6 assignments used, quality = 1.00: HA TYR 76 + QG2 ILE 37 OK 100 100 100 100 3.1-5.0 11155=100, 3.1/9019=84...(20) HA2 GLY 75 + QG2 ILE 37 OK 55 100 55 100 4.2-6.8 3.5/10667=74...(15) HA LEU 69 + QG2 ILE 37 OK 35 90 40 96 5.1-6.6 9531/9022=59...(7) HA SER 74 - QG2 ILE 37 far 0 73 0 - 6.2-7.9 HA THR 25 - QG2 ILE 37 far 0 73 0 - 9.1-21.1 HA LYS 24 - QG2 ILE 37 far 0 83 0 - 9.8-22.4 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 3.3-5.6 ~9019=90, ~10667=90...(16) HA LYS 36 + HB ILE 37 OK 78 78 100 100 5.9-6.5 3.6/6413=100...(18) HA2 GLY 75 + HB ILE 37 OK 72 81 90 100 5.5-8.2 ~9608=82, 9604/3.2=69...(9) HA SER 74 - HB ILE 37 far 0 99 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 10921 from cnoeabs.peaks (8.27, 4.22, 64.43 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.97: H GLU 40 + HB3 SER 38 OK 97 99 100 98 4.1-5.0 6448/1134=65...(8) H LEU 43 - HB3 SER 38 far 0 93 0 - 7.2-8.2 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 0 100 0 - 5.8-6.9 HG3 LYS 39 - HA SER 38 far 0 87 0 - 6.2-7.0 Violated in 20 structures by 1.37 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 4.1-5.3 6423/3.0=70...(23) Violated in 4 structures by 0.07 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 3 68 5 - 6.0-8.0 Violated in 20 structures by 1.67 A. Peak 10930 from cnoeabs.peaks (1.17, 2.39, 35.29 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.70: QB ALA 41 + HG3 GLU 40 OK 45 100 45 100 3.0-6.3 3.0/1274=68, 9059/1.8=65...(19) HG3 LYS 39 + HG3 GLU 40 OK 45 95 70 68 4.9-8.3 9056/1269=32...(4) Violated in 8 structures by 0.01 A. Peak 10931 from cnoeabs.peaks (1.90, 1.17, 17.90 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLU 40 + QB ALA 41 OK 100 100 100 100 4.5-5.4 9054=90, 6470/3.0=80...(20) HB3 LYS 36 + QB ALA 41 OK 36 83 60 72 3.2-6.8 6405/10904=52...(5) HB3 LEU 48 - QB ALA 41 far 0 97 0 - 7.7-10.9 Violated in 3 structures by 0.01 A. Peak 10932 from cnoeabs.peaks (2.02, 1.17, 17.90 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.88: HB3 GLU 40 + QB ALA 41 OK 74 83 90 100 3.6-5.4 1.8/9054=59, 6471/3.0=57...(21) HB2 GLU 44 + QB ALA 41 OK 54 99 55 100 3.9-5.7 ~1409=59, ~1409=54...(19) HB ILE 129 - QB ALA 41 far 0 95 0 - 9.4-10.7 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 2.3-4.6 9043=71, 1.8/9042=63...(10) HA ILE 37 + QB ALA 41 OK 90 90 100 100 2.4-3.3 3.2/10819=68...(13) HA GLN 68 - QB ALA 41 far 0 97 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 10935 from cnoeabs.peaks (4.02, 3.91, 54.68 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.70: HB2 SER 38 + HA ALA 41 OK 59 98 60 100 4.7-6.5 9043/2.1=76, ~9042=56...(9) HA GLU 44 + HA ALA 41 OK 28 71 40 100 5.0-5.9 3.0/1409=79, 2.8/6515=75...(16) HA ILE 37 - HA ALA 41 far 10 100 10 - 5.3-6.3 HA GLN 68 - HA ALA 41 far 0 57 0 - 9.7-11.0 Violated in 17 structures by 0.28 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 3.9-5.3 10845=85, 3.0/9040=73...(15) HA TYR 72 - QB ALA 41 far 10 65 15 - 5.1-6.8 HA ASP 35 - QB ALA 41 far 5 100 5 - 3.6-8.7 Violated in 2 structures by 0.04 A. Peak 10937 from cnoeabs.peaks (8.29, 3.91, 54.68 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: H LEU 43 + HA ALA 41 OK 97 99 100 98 4.6-5.1 3.9/6515=70, 6496/2.9=56...(11) H GLU 40 + HA ALA 41 OK 91 93 100 98 5.2-5.5 6463/2.9=79, 4.0/1280=33...(9) H TYR 72 - HA ALA 41 far 0 65 0 - 8.7-10.4 H LEU 69 - HA ALA 41 far 0 100 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 10938 from cnoeabs.peaks (1.15, 0.63, 27.44 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.90: QB ALA 41 + QD1 LEU 42 OK 90 90 100 100 4.4-4.9 10910/10821=75...(11) HG3 LYS 39 - QD1 LEU 42 far 15 100 15 - 5.2-7.3 QG2 VAL 77 - QD1 LEU 42 far 3 65 5 - 5.4-7.0 HG2 LYS 39 - QD1 LEU 42 far 0 83 0 - 6.2-7.6 QG2 VAL 132 - QD1 LEU 42 far 0 90 0 - 6.4-7.5 QG1 VAL 132 - QD1 LEU 42 far 0 73 0 - 6.5-8.0 Violated in 1 structures by 0.00 A. Peak 10939 from cnoeabs.peaks (1.14, 0.56, 24.08 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.91: HG3 LYS 39 + QD2 LEU 42 OK 79 89 95 94 3.4-5.7 4.0/10870=53...(10) HG2 LYS 39 + QD2 LEU 42 OK 55 100 60 93 4.0-5.9 4.0/10870=53...(11) QG2 VAL 132 - QD2 LEU 42 far 5 100 5 - 5.1-6.2 QG1 VAL 132 - QD2 LEU 42 far 0 98 0 - 5.5-6.4 Violated in 5 structures by 0.04 A. Peak 10941 from cnoeabs.peaks (2.10, 3.78, 57.62 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.71: HB3 GLU 44 + HA LEU 43 OK 58 85 70 98 5.5-6.6 6527/3.6=76, ~9140=47...(12) HG3 GLN 134 + HA LEU 43 OK 31 92 35 96 5.3-8.8 11685/3.9=66...(8) HB3 LYS 39 - HA LEU 43 far 0 87 0 - 7.2-8.7 HB VAL 126 - HA LEU 43 far 0 99 0 - 8.0-9.6 Violated in 16 structures by 0.12 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 2.7-4.3 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 97 3.8-5.5 11063/1348=70...(8) QG2 VAL 133 + HA LEU 43 OK 85 85 100 100 3.9-4.9 11072/1345=77...(11) Violated in 0 structures by 0.00 A. Peak 10945 from cnoeabs.peaks (0.60, 1.73, 40.91 ppm; 6.06 A): 0 out of 0 assignments used, quality = 0.00: Peak 10946 from cnoeabs.peaks (8.54, 2.51, 34.64 ppm; 5.21 A): 0 out of 2 assignments used, quality = 0.00: H ALA 46 - HG3 GLU 44 far 5 99 5 - 6.1-7.0 H HIS 4 - HG3 GLU 102 far 0 62 0 - 9.4-68.9 Violated in 20 structures by 1.13 A. Peak 10947 from cnoeabs.peaks (1.70, 2.34, 34.64 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.52: HB2 LEU 43 + HG2 GLU 44 OK 52 60 100 87 4.4-4.8 4.6/6528=56, 9140/1.8=43...(6) HG LEU 48 - HG2 GLU 44 far 0 92 0 - 6.8-9.5 HD3 LYS 39 - HG2 GLU 44 far 0 92 0 - 6.8-11.3 HD2 LYS 39 - HG2 GLU 44 far 0 81 0 - 6.9-10.0 HD3 LYS 36 - HG2 GLU 44 far 0 60 0 - 9.7-13.5 Violated in 16 structures by 0.06 A. Peak 10948 from cnoeabs.peaks (1.38, 2.34, 34.64 ppm; 4.76 A): 0 out of 2 assignments used, quality = 0.00: HB2 LEU 42 - HG2 GLU 44 far 0 100 0 - 6.9-8.0 HG2 LYS 36 - HG2 GLU 44 far 0 100 0 - 8.2-12.8 Violated in 20 structures by 2.48 A. Peak 10949 from cnoeabs.peaks (1.16, 2.34, 34.64 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.83: QB ALA 41 + HG2 GLU 44 OK 83 98 85 100 4.6-6.3 ~9064=53, ~1409=51...(21) HG3 LYS 39 - HG2 GLU 44 far 0 100 0 - 6.8-9.6 QG2 THR 25 - HG2 GLU 44 far 0 68 0 - 7.2-27.0 HG2 LYS 39 - HG2 GLU 44 far 0 65 0 - 7.5-11.0 Violated in 18 structures by 0.50 A. Peak 10951 from cnoeabs.peaks (0.79, 3.90, 55.49 ppm; 4.73 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 49 + HA ALA 46 OK 100 100 100 100 2.0-5.1 3.2/10899=65...(21) QD1 LEU 96 - HA ALA 46 poor 15 76 20 - 4.9-6.4 QD1 LEU 53 - HA ALA 46 poor 14 100 25 56 5.0-9.7 1552/10899=21...(8) QD2 LEU 122 - HA ALA 46 far 5 99 5 - 5.5-9.5 QG2 ILE 129 - HA ALA 46 far 3 65 5 - 5.4-6.3 QD1 LEU 122 - HA ALA 46 far 0 96 0 - 5.8-8.7 QD1 LEU 70 - HA ALA 46 far 0 73 0 - 8.3-10.0 Violated in 2 structures by 0.02 A. Peak 10952 from cnoeabs.peaks (1.50, 3.90, 55.49 ppm; 5.27 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 49 + HA ALA 46 OK 98 99 100 100 2.3-5.6 3.2/10898=81...(18) HG LEU 69 + HA ALA 46 OK 98 98 100 100 2.4-5.0 2.1/11054=99, ~11046=80...(21) HG LEU 42 + HA ALA 46 OK 72 85 85 100 5.3-6.8 ~9177=79, ~9177=76...(9) QB ALA 52 - HA ALA 46 far 0 68 0 - 7.2-8.2 HB2 LEU 53 - HA ALA 46 far 0 90 0 - 9.1-12.1 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 6 assignments used, quality = 0.91: QD2 LEU 69 + QB ALA 46 OK 80 81 100 100 1.9-4.0 2.1/11046=61, 11045=61...(24) QG2 ILE 129 + QB ALA 46 OK 54 65 100 83 3.4-4.2 11245=40, 3.0/11636=36...(11) QG1 VAL 133 - QB ALA 46 far 10 96 10 - 4.1-6.3 QD2 LEU 70 - QB ALA 46 far 0 99 0 - 6.1-8.0 HG13 ILE 80 - QB ALA 46 far 0 71 0 - 9.5-11.1 QG2 ILE 32 - QB ALA 46 far 0 99 0 - 9.7-14.9 Violated in 3 structures by 0.01 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 4.1-4.9 6568/6571=82...(9) Violated in 2 structures by 0.00 A. Peak 10955 from cnoeabs.peaks (1.34, 2.72, 39.77 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + HB2 ASP 47 OK 100 100 100 100 4.0-5.4 6568/6570=89...(9) Violated in 6 structures by 0.01 A. Peak 10956 from cnoeabs.peaks (0.92, 2.72, 39.77 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.51: QD2 LEU 48 + HB2 ASP 47 OK 51 99 70 73 5.4-7.3 5.0/6581=59, ~10904=34 QD1 LEU 49 - HB2 ASP 47 poor 20 100 20 - 5.5-7.9 QD1 LEU 48 - HB2 ASP 47 poor 20 99 25 79 4.0-7.0 4.8/6581=62...(3) QD1 LEU 123 - HB2 ASP 47 far 0 97 0 - 7.1-9.4 Violated in 20 structures by 0.90 A. Peak 10957 from cnoeabs.peaks (1.22, 0.91, 23.93 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.94: QG2 THR 65 + QD2 LEU 48 OK 91 100 95 96 1.8-4.2 9441/2.1=41, 9430=37...(19) QG2 THR 65 + QD1 LEU 48 OK 39 41 100 95 1.8-3.2 9441/2.1=41, 9430=35...(17) QG2 THR 54 - QD1 LEU 123 poor 19 33 75 77 3.0-6.0 11510/2.1=45, 9275=34...(8) QG2 THR 65 - QD1 LEU 123 far 0 42 0 - 6.6-8.7 QG2 THR 54 - QD2 LEU 48 far 0 89 0 - 6.7-7.5 QG2 THR 54 - QD1 LEU 48 far 0 32 0 - 7.3-9.2 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 4 87 5 - 5.1-7.2 Violated in 20 structures by 1.81 A. Peak 10959 from cnoeabs.peaks (1.23, 1.50, 41.17 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 65 + HB2 LEU 49 OK 100 100 100 100 1.9-4.3 9431/3.2=96...(27) QG2 THR 54 - HB2 LEU 49 far 5 99 5 - 6.3-8.3 Violated in 0 structures by 0.00 A. Peak 10960 from cnoeabs.peaks (1.21, 1.92, 41.17 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.85: QG2 THR 65 + HB3 LEU 49 OK 85 85 100 100 1.8-4.3 10966/3.2=80...(23) QG2 THR 65 - HB3 LEU 123 far 0 35 0 - 6.4-9.1 QG2 THR 25 - HB3 LEU 49 far 0 76 0 - 8.0-33.1 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 = 0.74: QD2 LEU 48 + HB2 SER 51 OK 74 100 100 74 2.9-4.3 3.8/1615=54...(5) QD1 LEU 48 - HB2 SER 51 far 0 90 0 - 5.3-6.8 QD1 LEU 49 - HB2 SER 51 far 0 100 0 - 5.9-7.9 QD2 LEU 123 - HB2 SER 51 far 0 76 0 - 6.0-8.7 QD1 LEU 123 - HB2 SER 51 far 0 83 0 - 7.0-8.8 QD1 LEU 62 - HB2 SER 51 far 0 99 0 - 8.2-9.9 Violated in 1 structures by 0.00 A. Peak 10962 from cnoeabs.peaks (0.77, 3.94, 62.66 ppm; 5.13 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 53 - HB2 SER 51 far 7 68 10 - 5.2-7.3 QD2 LEU 49 - HB2 SER 51 far 0 60 0 - 7.0-8.7 QD2 LEU 122 - HB2 SER 51 far 0 85 0 - 9.0-13.0 Violated in 19 structures by 0.99 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 1.9-2.7 9317=100, 2.1/9312=82...(19) QD2 LEU 123 - QB ALA 52 poor 9 78 30 37 3.5-6.7 10348/10996=33...(3) QD2 LEU 69 - QB ALA 52 far 0 99 0 - 6.1-7.8 QD2 LEU 70 - QB ALA 52 far 0 99 0 - 8.6-10.4 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 2.4-3.4 9317/2.1=97, 9304=96...(17) QD2 LEU 123 - HA ALA 52 far 0 87 0 - 5.5-7.7 QD2 LEU 69 - HA ALA 52 far 0 100 0 - 9.2-10.9 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 4 assignments used, quality = 0.92: HG2 GLU 55 + HD3 PRO 56 OK 76 76 100 100 4.2-5.5 6694/4.8=53, 1.8/9291=51...(29) HG2 GLU 55 + HD2 PRO 56 OK 68 68 100 100 4.0-5.6 6694/4.8=53, 1.8/9284=50...(30) HG3 GLN 61 - HD2 PRO 56 far 0 51 0 - 8.9-11.2 HG3 GLN 61 - HD3 PRO 56 far 0 57 0 - 9.3-11.5 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 3.5-4.3 9319/2.1=100...(10) QD2 LEU 100 - HB VAL 57 far 0 98 0 - 7.9-9.8 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 3.9-4.6 9319/2.1=99, 2.1/9311=81...(11) QD2 LEU 100 - QG1 VAL 57 far 0 92 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (0.95, 2.41, 32.16 ppm; 5.06 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 57 + HB3 PRO 58 OK 100 100 100 100 5.2-5.5 9309/3.0=93, 9308/3.0=92...(27) QG2 VAL 112 - HB3 PRO 58 far 7 73 10 - 5.6-10.6 QG1 VAL 112 - HB3 PRO 58 far 0 83 0 - 6.8-10.8 QD1 LEU 119 - HB3 PRO 58 far 0 99 0 - 7.1-9.6 QD2 LEU 53 - HB3 PRO 58 far 0 85 0 - 9.4-13.6 Violated in 20 structures by 0.24 A. Peak 10974 from cnoeabs.peaks (8.67, 2.03, 27.78 ppm; 6.19 A): 2 out of 2 assignments used, quality = 1.00: H SER 60 + HG2 PRO 58 OK 99 99 100 100 3.7-4.5 10975/2.3=99...(16) H PHE 89 + HG2 ARG 90 OK 52 52 100 100 4.1-5.2 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 8 assignments used, quality = 1.00: HB VAL 63 + HB2 SER 60 OK 94 95 100 100 3.9-5.6 1902/3.0=86, ~10978=65...(9) HB VAL 63 + HB3 SER 60 OK 94 95 100 100 4.1-5.7 1902/3.0=86, ~10978=65...(9) HG2 PRO 58 + HB2 SER 60 OK 68 99 100 69 3.1-5.8 10978/4.0=40, ~2638=13...(8) HG2 PRO 58 + HB3 SER 60 OK 68 99 100 69 3.6-5.3 10978/4.0=40, ~2638=13...(8) QE MET 11 - HB2 SER 60 far 5 99 5 - 5.9-40.3 HB2 LEU 62 - HB3 SER 60 far 0 78 0 - 6.6-8.8 HB2 LEU 62 - HB2 SER 60 far 0 78 0 - 6.8-8.7 QE MET 11 - HB3 SER 60 far 0 99 0 - 6.8-39.5 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 17 assignments used, quality = 1.00: QG2 VAL 63 + HB2 SER 60 OK 99 99 100 100 3.8-5.9 ~10978=78, ~2020=77...(15) QG2 VAL 63 + HB3 SER 60 OK 99 99 100 100 3.9-5.5 ~10978=78, ~2020=77...(15) QD1 LEU 62 - HB2 SER 60 far 5 100 5 - 6.5-8.4 QD1 LEU 62 - HB3 SER 60 far 5 100 5 - 6.9-8.2 QD1 LEU 22 - HB3 SER 60 far 4 76 5 - 6.0-39.1 QD1 LEU 22 - HB2 SER 60 far 4 76 5 - 6.2-39.7 QG2 VAL 112 - HB3 SER 60 far 0 99 0 - 7.2-13.4 QG2 VAL 112 - HB2 SER 60 far 0 99 0 - 7.6-12.5 QD1 LEU 119 - HB2 SER 60 far 0 73 0 - 8.5-11.6 QD1 LEU 119 - HB3 SER 60 far 0 73 0 - 8.6-11.2 QD1 LEU 48 - HB3 SER 60 far 0 99 0 - 9.3-12.6 QD2 LEU 48 - HB2 SER 60 far 0 98 0 - 9.3-11.9 QG1 VAL 118 - HB3 SER 60 far 0 87 0 - 9.3-11.3 QD1 LEU 48 - HB2 SER 60 far 0 99 0 - 9.3-13.3 QD1 LEU 49 - HB2 SER 60 far 0 100 0 - 9.4-13.1 QD2 LEU 48 - HB3 SER 60 far 0 98 0 - 9.4-12.4 QG1 VAL 118 - HB2 SER 60 far 0 87 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10980 from cnoeabs.peaks (3.63, 2.28, 33.67 ppm; 5.80 A): 1 out of 5 assignments used, quality = 0.93: HD2 PRO 58 + HG2 GLN 61 OK 93 98 95 100 2.9-6.8 10935/1.8=96...(17) HA3 GLY 66 - HG2 GLN 61 far 0 99 0 - 8.4-10.6 HD2 PRO 56 - HG2 GLN 61 far 0 57 0 - 8.5-12.6 HA2 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.6-11.1 HD3 PRO 56 - HG2 GLN 61 far 0 78 0 - 9.6-13.0 Violated in 3 structures by 0.12 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 10 99 10 - 5.7-7.4 HB3 SER 107 - HA GLN 61 far 0 87 0 - 8.3-14.7 Violated in 20 structures by 1.27 A. Peak 10986 from cnoeabs.peaks (0.87, 2.41, 33.67 ppm; 4.11 A): 3 out of 10 assignments used, quality = 1.00: QG2 VAL 57 + HG3 GLN 61 OK 100 100 100 100 2.7-4.6 2.1/10937=77...(30) QD1 LEU 98 + HG2 GLN 101 OK 64 86 75 100 3.2-6.6 10055/1.8=79...(13) QG2 VAL 57 + HG3 GLU 55 OK 32 66 50 95 1.9-6.1 9314/3.0=70, ~9315=42...(10) QD2 LEU 98 - HG2 GLN 101 far 4 83 5 - 4.4-7.1 QD2 LEU 70 - HG2 GLN 101 far 4 81 5 - 4.9-7.5 QD2 LEU 123 - HG3 GLU 55 far 0 54 0 - 7.2-11.6 QD2 LEU 123 - HG3 GLN 61 far 0 89 0 - 7.7-12.2 QD2 LEU 69 - HG3 GLN 61 far 0 100 0 - 7.8-11.3 QD1 LEU 22 - HG3 GLN 61 far 0 65 0 - 9.6-38.8 QD2 LEU 69 - HG2 GLN 101 far 0 87 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 10987 from cnoeabs.peaks (0.94, 2.41, 33.67 ppm; 4.23 A): 3 out of 14 assignments used, quality = 1.00: QG1 VAL 57 + HG3 GLN 61 OK 100 100 100 100 2.3-3.6 9377/1.8=86...(33) QG1 VAL 57 + HG3 GLU 55 OK 33 67 50 99 2.9-6.2 9315/3.0=77, 9294/1.8=69...(12) QG1 VAL 105 + HG2 GLN 101 OK 29 77 40 94 3.4-7.5 ~10054=52, ~10054=49...(11) QD2 LEU 53 - HG3 GLN 61 far 4 81 5 - 4.9-10.6 QD1 LEU 48 - HG3 GLN 61 far 4 78 5 - 4.8-8.3 QD2 LEU 53 - HG3 GLU 55 far 0 47 0 - 5.6-8.9 QD1 LEU 119 - HG3 GLU 55 far 0 67 0 - 6.9-11.0 QD1 LEU 119 - HG3 GLN 61 far 0 100 0 - 6.9-10.2 QD1 LEU 48 - HG3 GLU 55 far 0 46 0 - 8.1-12.0 QD1 LEU 123 - HG3 GLU 55 far 0 52 0 - 8.3-11.8 QG2 VAL 126 - HG2 GLN 101 far 0 70 0 - 8.7-10.8 QG2 VAL 126 - HG3 GLN 61 far 0 87 0 - 9.0-12.1 QG1 VAL 126 - HG3 GLN 61 far 0 97 0 - 9.2-12.6 QD1 LEU 123 - HG3 GLN 61 far 0 87 0 - 9.7-13.0 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 16 assignments used, quality = 1.00: QG1 VAL 57 + HB3 GLN 61 OK 100 100 100 100 3.2-4.0 9377/3.0=70...(32) QG1 VAL 57 + HB2 GLN 61 OK 99 99 100 100 3.2-4.3 9377/3.0=70...(37) QG1 VAL 105 - HB2 GLU 102 far 0 59 0 - 5.5-7.1 QD2 LEU 53 - HB2 GLN 61 far 0 92 0 - 5.7-12.5 QD2 LEU 53 - HB3 GLN 61 far 0 93 0 - 5.9-11.3 QD1 LEU 48 - HB3 GLN 61 far 0 60 0 - 6.1-9.3 QD1 LEU 119 - HB3 GLN 61 far 0 97 0 - 6.4-9.1 QD1 LEU 48 - HB2 GLN 61 far 0 59 0 - 6.5-9.2 QD1 LEU 119 - HB2 GLU 102 far 0 56 0 - 7.3-11.4 QD1 LEU 119 - HB2 GLN 61 far 0 96 0 - 7.8-10.1 QG2 VAL 112 - HB3 GLN 61 far 0 60 0 - 8.3-14.1 QD2 LEU 53 - HB2 GLU 102 far 0 52 0 - 8.6-15.6 QG2 VAL 112 - HB2 GLN 61 far 0 59 0 - 9.0-12.6 QG1 VAL 112 - HB3 GLN 61 far 0 92 0 - 9.3-12.9 QG2 VAL 126 - HB2 GLU 102 far 0 56 0 - 9.3-11.5 QG2 VAL 126 - HB3 GLN 61 far 0 97 0 - 9.5-11.1 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 4 assignments used, quality = 0.90: QG2 VAL 57 + HG2 GLN 61 OK 90 100 90 100 3.0-5.5 10936/1.8=89...(26) QD2 LEU 69 - HG2 GLN 61 far 0 100 0 - 8.0-11.7 QD2 LEU 123 - HG2 GLN 61 far 0 89 0 - 8.6-12.5 QD1 LEU 22 - HG2 GLN 61 far 0 65 0 - 9.5-39.5 Violated in 14 structures by 0.43 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 2.4-4.2 9461=99, 11037/2.1=69...(19) H SER 50 - QD2 LEU 62 far 10 99 10 - 5.1-7.0 H SER 60 - QD2 LEU 62 far 0 92 0 - 6.3-7.2 H HIS 67 - QD2 LEU 62 far 0 100 0 - 6.5-7.7 H SER 60 - QD2 LEU 100 far 0 56 0 - 6.7-8.4 H SER 50 - QD2 LEU 100 far 0 63 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (0.80, 1.65, 26.14 ppm; 3.47 A): 1 out of 8 assignments used, quality = 0.86: QD2 LEU 119 + HG LEU 62 OK 86 100 90 96 3.2-7.0 3795/2.1=24...(31) QD1 LEU 53 - HG LEU 62 poor 20 100 20 - 4.0-8.5 QD2 LEU 49 - HG LEU 62 far 5 100 5 - 4.3-7.9 QD1 LEU 103 - HG LEU 62 far 0 90 0 - 4.6-6.4 QD1 LEU 122 - HG LEU 62 far 0 98 0 - 4.9-7.8 QD2 LEU 122 - HG LEU 62 far 0 97 0 - 5.0-8.6 QG1 VAL 63 - HG LEU 62 far 0 92 0 - 7.1-7.5 QD1 LEU 96 - HG LEU 62 far 0 68 0 - 8.1-10.1 Violated in 15 structures by 0.57 A. Peak 10994 from cnoeabs.peaks (0.80, 3.85, 57.95 ppm; 3.91 A): 1 out of 9 assignments used, quality = 0.64: QD2 LEU 49 + HA LEU 62 OK 64 100 80 80 2.4-5.5 9431/10993=41...(10) QD1 LEU 122 - HA LEU 62 poor 16 98 50 33 4.1-6.1 9422/1970=8, 11951/3.0=7...(9) QD2 LEU 122 - HA LEU 62 far 10 97 10 - 4.5-7.5 QD1 LEU 53 - HA LEU 62 poor 6 100 25 22 3.7-8.7 2.1/9254=9, 10940/3.0=6...(5) QD2 LEU 119 - HA LEU 62 far 5 100 5 - 4.7-8.4 QD1 LEU 103 - HA LEU 62 far 0 90 0 - 5.2-6.8 QG1 VAL 63 - HA LEU 62 far 0 92 0 - 6.0-6.1 QD1 LEU 96 - HA LEU 62 far 0 68 0 - 6.5-8.4 QD1 LEU 70 - HA LEU 62 far 0 81 0 - 8.6-12.0 Violated in 12 structures by 0.49 A. Peak 10995 from cnoeabs.peaks (0.76, 1.14, 42.10 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.97: QD1 LEU 103 + HB3 LEU 62 OK 85 85 100 100 3.2-4.9 2.1/11823=92...(13) QD2 LEU 103 + HB3 LEU 62 OK 78 78 100 100 2.3-5.2 11823=68, ~9395=50...(13) QD2 LEU 122 + HB3 LEU 62 OK 23 73 60 51 3.1-7.9 9395/1.8=11, ~11951=11...(10) QG1 VAL 63 - HB3 LEU 62 far 0 83 0 - 5.6-6.2 QD1 LEU 96 - HB3 LEU 62 far 0 98 0 - 5.7-9.2 QD2 LEU 96 - HB3 LEU 62 far 0 93 0 - 7.8-11.5 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 1.8-3.2 9232=94, 9317/9319=44...(15) HB2 LEU 49 - QD2 LEU 62 far 8 83 10 - 2.9-6.8 HB2 LEU 49 - QD2 LEU 100 far 0 48 0 - 5.6-8.8 QB ALA 52 - QD2 LEU 100 far 0 66 0 - 5.9-7.8 Violated in 2 structures by 0.02 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 3.7-4.9 10993=97, 2.1/1970=84...(10) QG2 THR 54 - HA LEU 62 far 0 92 0 - 8.5-10.4 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: HB2 LEU 119 - HA LEU 62 far 5 93 5 - 5.5-8.5 HG LEU 103 - HA LEU 62 far 4 71 5 - 5.5-8.3 HB2 LEU 53 - HA LEU 62 far 0 97 0 - 6.3-10.3 HG LEU 69 - HA LEU 62 far 0 89 0 - 8.5-11.3 Violated in 20 structures by 0.81 A. Peak 10999 from cnoeabs.peaks (4.31, 3.85, 57.95 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.78: HA ASN 59 + HA LEU 62 OK 78 78 100 100 5.4-6.0 9387/1998=90...(13) HA ALA 110 - HA LEU 62 far 0 63 0 - 9.5-16.0 Violated in 6 structures by 0.03 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 3.0-4.6 9388/2.1=95, 1880/3.0=88...(22) 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 = 0.75: HA LEU 119 + QD1 LEU 62 OK 75 83 100 90 2.0-4.1 ~10951=32, 3.7/2009=31...(13) HA LEU 103 - QD1 LEU 62 far 5 97 5 - 5.3-7.9 HA SER 60 - QD1 LEU 62 far 0 100 0 - 5.6-6.9 HB3 SER 99 - QD1 LEU 62 far 0 100 0 - 5.8-9.6 HA SER 50 - QD1 LEU 62 far 0 98 0 - 6.5-9.0 HB3 SER 106 - QD1 LEU 62 far 0 65 0 - 7.8-11.4 HB3 SER 51 - QD1 LEU 62 far 0 73 0 - 8.6-10.9 HB3 SER 124 - QD1 LEU 62 far 0 73 0 - 8.6-11.9 HB2 SER 124 - QD1 LEU 62 far 0 97 0 - 9.5-12.6 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 5 assignments used, quality = 0.98: HA LEU 53 + QD1 LEU 62 OK 98 98 100 100 2.2-4.9 10038/2.1=99...(7) HA SER 99 - QD1 LEU 62 far 0 57 0 - 7.5-10.0 HA SER 51 - QD1 LEU 62 far 0 60 0 - 7.9-9.9 HA HIS 67 - QD1 LEU 62 far 0 57 0 - 9.4-10.5 HA VAL 105 - QD1 LEU 62 far 0 100 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 11003 from cnoeabs.peaks (7.42, 1.14, 42.10 ppm; 4.78 A): 1 out of 3 assignments used, quality = 0.97: H LEU 62 + HB3 LEU 62 OK 97 97 100 100 2.3-3.6 3.9=100 H GLN 61 - HB3 LEU 62 far 5 100 5 - 4.6-6.4 HE22 GLN 104 - HB3 LEU 62 far 0 100 0 - 6.4-10.8 Violated in 0 structures by 0.00 A. Peak 11004 from cnoeabs.peaks (8.19, 1.14, 42.10 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.93: H VAL 63 + HB3 LEU 62 OK 93 93 100 100 2.9-4.0 4.5=100 H LEU 122 - HB3 LEU 62 far 0 100 0 - 6.4-9.0 Violated in 0 structures by 0.00 A. Peak 11005 from cnoeabs.peaks (8.00, 0.68, 23.19 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.80: H ALA 52 + QD2 LEU 62 OK 61 68 90 100 3.9-5.5 2.9/10996=87...(14) H VAL 57 + QD2 LEU 62 OK 49 100 50 98 4.6-6.0 1802/9319=81...(5) H SER 51 - QD2 LEU 62 far 0 85 0 - 5.4-7.1 H ALA 52 - QD2 LEU 100 far 0 38 0 - 8.4-10.7 H SER 51 - QD2 LEU 100 far 0 50 0 - 9.3-11.8 H VAL 57 - QD2 LEU 100 far 0 66 0 - 9.4-11.8 H ILE 129 - QD2 LEU 100 far 0 66 0 - 10.0-12.0 Violated in 2 structures by 0.01 A. Peak 11006 from cnoeabs.peaks (7.88, 0.68, 23.19 ppm; 4.82 A): 3 out of 11 assignments used, quality = 0.81: H GLN 104 + QD2 LEU 100 OK 48 51 100 93 2.7-5.0 7481/3225=47...(11) H GLN 68 + QD2 LEU 100 OK 42 57 80 93 4.6-6.1 6872/9461=63...(8) H GLU 102 + QD2 LEU 100 OK 36 36 100 99 4.5-5.7 ~7413=48, ~7415=44...(17) H SER 106 - QD2 LEU 100 far 0 48 0 - 6.5-8.5 H THR 115 - QD2 LEU 62 far 0 68 0 - 6.8-11.4 H GLN 68 - QD2 LEU 62 far 0 93 0 - 7.6-9.0 H GLN 104 - QD2 LEU 62 far 0 87 0 - 7.9-9.2 H GLU 102 - QD2 LEU 62 far 0 65 0 - 8.8-11.5 H SER 106 - QD2 LEU 62 far 0 83 0 - 10.0-12.4 H THR 115 - QD2 LEU 100 far 0 38 0 - 10.0-13.2 H GLU 128 - QD2 LEU 100 far 0 64 0 - 10.0-12.0 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 = 0.62: HD2 HIS 67 + QD2 LEU 100 OK 62 65 95 100 3.6-6.4 10044/2.1=87...(7) QD TYR 72 - QD2 LEU 100 far 0 66 0 - 8.4-10.3 HD2 HIS 67 - QD2 LEU 62 far 0 100 0 - 8.9-10.9 Violated in 3 structures by 0.11 A. Peak 11008 from cnoeabs.peaks (8.28, 0.68, 23.19 ppm; 4.66 A): 1 out of 15 assignments used, quality = 0.27: H LEU 49 + QD2 LEU 62 OK 27 87 35 89 4.6-7.6 9247/10996=66...(8) H LEU 123 - QD2 LEU 62 poor 17 71 30 80 5.3-6.6 4.8/10348=49...(7) H LEU 69 - QD2 LEU 100 far 6 57 10 - 5.2-7.0 H LEU 123 - QD2 LEU 100 far 0 40 0 - 5.7-7.9 H SER 99 - QD2 LEU 100 far 0 64 0 - 5.7-6.4 H VAL 126 - QD2 LEU 100 far 0 65 0 - 6.7-8.7 H LEU 49 - QD2 LEU 100 far 0 51 0 - 7.0-9.8 H LEU 96 - QD2 LEU 100 far 0 62 0 - 7.5-8.9 H GLY 111 - QD2 LEU 62 far 0 87 0 - 7.6-12.2 H VAL 126 - QD2 LEU 62 far 0 99 0 - 7.7-8.8 H LEU 69 - QD2 LEU 62 far 0 93 0 - 8.1-9.4 H GLY 111 - QD2 LEU 100 far 0 51 0 - 8.9-12.5 H SER 99 - QD2 LEU 62 far 0 99 0 - 9.2-11.5 H ALA 110 - QD2 LEU 62 far 0 90 0 - 9.5-13.4 H ALA 110 - QD2 LEU 100 far 0 54 0 - 10.0-13.6 Violated in 19 structures by 1.13 A. Peak 11009 from cnoeabs.peaks (0.59, 3.37, 66.55 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 100 + HA VAL 63 OK 97 97 100 100 2.1-4.5 2.1/9386=98, 3.2/9398=58...(27) 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 14 assignments used, quality = 1.00: HB3 GLN 104 + QG2 VAL 63 OK 100 100 100 100 1.8-3.9 11437=80, 3.0/11521=74...(27) HG2 GLN 68 + QD1 LEU 49 OK 24 56 60 72 3.3-9.7 9479/10966=44...(6) HB3 GLN 127 - QD1 LEU 49 far 9 58 15 - 4.0-9.0 HB2 GLN 68 - QD1 LEU 49 far 9 57 15 - 4.8-9.7 HB3 LEU 96 - QD1 LEU 49 far 0 52 0 - 5.9-8.3 HB2 GLN 101 - QG2 VAL 63 far 0 87 0 - 6.1-8.6 HB3 GLU 102 - QG2 VAL 63 far 0 100 0 - 6.6-8.5 HG2 GLN 68 - QG2 VAL 63 far 0 99 0 - 7.7-10.4 HB3 GLU 128 - QD1 LEU 49 far 0 58 0 - 8.1-11.5 HB2 GLN 68 - QG2 VAL 63 far 0 100 0 - 8.1-10.6 HB3 GLU 97 - QG2 VAL 63 far 0 99 0 - 8.3-10.4 HB3 GLN 104 - QD1 LEU 49 far 0 58 0 - 9.0-12.6 HB3 GLU 97 - QD1 LEU 49 far 0 56 0 - 9.1-11.4 HB3 LEU 96 - QG2 VAL 63 far 0 96 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 11011 from cnoeabs.peaks (2.20, 0.78, 21.57 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.99: HB2 GLN 104 + QG1 VAL 63 OK 97 97 100 100 1.8-4.4 3.0/9400=72, 3.0/9401=69...(31) HB3 GLN 104 + QG1 VAL 63 OK 78 78 100 100 1.8-3.7 3.0/9400=72, 3.0/9401=69...(33) HB2 GLN 101 - QG1 VAL 63 far 5 99 5 - 5.1-8.1 HB3 GLN 68 - QG1 VAL 63 far 0 78 0 - 6.5-8.7 HB2 GLN 68 - QG1 VAL 63 far 0 85 0 - 6.5-8.9 HB3 GLU 97 - QG1 VAL 63 far 0 90 0 - 6.7-9.8 HB3 GLU 102 - QG1 VAL 63 far 0 60 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 11012 from cnoeabs.peaks (1.14, 0.91, 22.96 ppm; 3.95 A): 1 out of 6 assignments used, quality = 0.93: HB3 LEU 62 + QG2 VAL 63 OK 93 100 100 93 3.8-4.3 1987=47, 4.5/6814=43...(13) HB3 LEU 62 - QD1 LEU 49 far 6 58 10 - 3.8-8.5 QG2 THR 115 - QG2 VAL 63 far 0 99 0 - 7.0-10.4 QB ALA 41 - QD1 LEU 49 far 0 28 0 - 7.5-10.8 QG2 VAL 132 - QD1 LEU 49 far 0 58 0 - 8.2-11.1 QG2 THR 115 - QD1 LEU 49 far 0 56 0 - 10.0-13.3 Violated in 18 structures by 0.14 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 3.8-4.4 10969/2.1=85...(17) HB2 ASN 121 + HB3 PRO 117 OK 35 37 95 98 4.0-7.5 3.8/10316=72...(14) HB2 ASN 120 + HB3 PRO 117 OK 34 36 95 100 4.2-6.9 1.8/10302=92, ~10301=85...(12) HB3 ASN 120 + HB3 PRO 117 OK 34 36 95 100 4.5-7.2 10301/1.8=82, 10302=81...(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 12 assignments used, quality = 0.52: HB3 LEU 100 + QG1 VAL 63 OK 52 87 60 100 3.2-6.8 3.2/10974=78...(23) QB ALA 108 - QG1 VAL 63 far 4 76 5 - 5.4-9.8 QB ALA 110 - QG1 VAL 63 far 0 81 0 - 5.9-12.0 QB ALA 15 - QG1 VAL 63 far 0 81 0 - 6.8-29.2 QB ALA 29 - QG1 VAL 63 far 0 85 0 - 6.9-19.9 QB ALA 109 - QG1 VAL 63 far 0 65 0 - 7.7-10.1 QB ALA 28 - QG1 VAL 63 far 0 78 0 - 7.8-21.3 QB ALA 12 - QG1 VAL 63 far 0 100 0 - 8.3-32.1 HB2 LEU 96 - QG1 VAL 63 far 0 85 0 - 9.1-10.8 HG2 LYS 24 - QG1 VAL 63 far 0 87 0 - 9.1-31.8 QB ALA 46 - QG1 VAL 63 far 0 83 0 - 10.0-11.1 QB ALA 21 - QG1 VAL 63 far 0 83 0 - 10.0-29.4 Violated in 15 structures by 0.84 A. Peak 11015 from cnoeabs.peaks (1.55, 0.78, 21.57 ppm; 5.03 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 103 + QG1 VAL 63 OK 100 100 100 100 3.8-5.8 3.0/10972=73, ~11832=53...(27) HB2 LEU 103 + QG1 VAL 63 OK 49 76 65 100 4.8-6.8 1.8/10963=51...(31) HG LEU 49 - QG1 VAL 63 far 0 87 0 - 7.6-10.2 HB2 LEU 119 - QG1 VAL 63 far 0 98 0 - 8.8-11.4 HG2 ARG 23 - QG1 VAL 63 far 0 81 0 - 9.1-30.6 Violated in 3 structures by 0.02 A. Peak 11016 from cnoeabs.peaks (1.80, 0.78, 21.57 ppm; 4.76 A): 3 out of 7 assignments used, quality = 0.95: HB3 LEU 103 + QG1 VAL 63 OK 76 96 80 100 3.3-6.9 1.8/10972=81...(35) HB2 LEU 100 + QG1 VAL 63 OK 53 89 60 100 2.9-6.9 1.8/10964=92...(22) HG LEU 100 + QG1 VAL 63 OK 50 63 80 100 4.1-6.3 2.1/10974=96...(18) HB3 LEU 122 - QG1 VAL 63 far 0 97 0 - 7.1-8.8 HB3 LYS 24 - QG1 VAL 63 far 0 98 0 - 9.1-32.5 HB3 LEU 98 - QG1 VAL 63 far 0 83 0 - 9.3-12.1 HB2 LEU 48 - QG1 VAL 63 far 0 73 0 - 9.6-12.9 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 2.1-4.7 2.1/10974=86...(22) QD1 ILE 129 - QG1 VAL 63 far 0 93 0 - 9.9-11.6 Violated in 4 structures by 0.05 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 3.1-4.7 2.9/2019=79...(12) HA2 GLY 66 + HA VAL 63 OK 99 99 100 99 4.8-6.2 2.9/2019=79, 3.6/6860=50...(14) HD2 PRO 58 - HA VAL 63 far 0 90 0 - 9.9-11.9 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 3.5-4.2 2020/2.1=81...(11) HA LEU 103 - QG1 VAL 63 far 8 78 10 - 5.4-7.1 HA THR 65 - QG1 VAL 63 far 0 73 0 - 6.2-7.2 HB2 SER 106 - QG1 VAL 63 far 0 63 0 - 6.5-10.2 HA GLN 68 - QG1 VAL 63 far 0 100 0 - 6.8-7.8 HB3 SER 106 - QG1 VAL 63 far 0 90 0 - 6.8-10.1 HB3 SER 99 - QG1 VAL 63 far 0 97 0 - 7.3-9.3 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 2.0-4.7 3.9/9400=80, 3.9/9401=77...(17) HB THR 65 - QG1 VAL 63 far 15 100 15 - 6.0-6.8 HA GLU 102 - QG1 VAL 63 far 0 95 0 - 7.0-7.9 HA LEU 96 - QG1 VAL 63 far 0 78 0 - 8.8-10.8 HA LEU 122 - QG1 VAL 63 far 0 93 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 11021 from cnoeabs.peaks (7.16, 4.46, 57.70 ppm; 4.93 A): 0 out of 3 assignments used, quality = 0.00: HD2 HIS 67 - HA ASP 64 far 10 98 10 - 5.4-7.7 HE ARG 23 - HA ASP 64 far 0 73 0 - 7.2-37.1 QD TYR 72 - HA ASP 64 far 0 95 0 - 9.3-10.5 Violated in 20 structures by 1.51 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 1.9-5.1 3.0/2140=68...(15) HG2 GLN 61 - HA THR 65 far 8 83 10 - 5.1-9.1 Violated in 3 structures by 0.02 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 lone 5 100 35 16 4.6-7.5 1.8/9289=13, 10938/10957=3 Violated in 20 structures by 1.25 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 1.8-4.1 2.1/9431=80...(27) HG LEU 123 - QG2 THR 65 far 0 100 0 - 7.0-10.3 HB2 LEU 119 - QG2 THR 65 far 0 89 0 - 7.6-10.5 HB3 LEU 42 - QG2 THR 65 far 0 87 0 - 8.7-10.3 HG LEU 103 - QG2 THR 65 far 0 99 0 - 8.9-10.7 HB2 LEU 103 - QG2 THR 65 far 0 92 0 - 9.1-11.3 Violated in 2 structures by 0.02 A. Peak 11026 from cnoeabs.peaks (1.77, 1.23, 22.77 ppm; 4.17 A): 1 out of 7 assignments used, quality = 0.93: HB2 LEU 48 + QG2 THR 65 OK 93 93 100 100 1.9-4.8 3.0/9441=65...(20) HG LEU 100 - QG2 THR 65 far 0 97 0 - 5.6-8.0 HB3 LEU 122 - QG2 THR 65 far 0 65 0 - 6.2-9.3 HB2 LYS 26 - QG2 THR 65 far 0 89 0 - 7.5-29.1 HG13 ILE 129 - QG2 THR 65 far 0 76 0 - 7.7-11.0 HB3 LEU 103 - QG2 THR 65 far 0 68 0 - 8.6-11.6 HB2 LYS 24 - QG2 THR 65 far 0 83 0 - 9.6-30.8 Violated in 3 structures by 0.06 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 3.7-4.9 10997=64, 1970/2.1=60...(10) HB3 SER 50 - QG2 THR 65 far 0 71 0 - 5.8-7.8 HA LEU 123 - QG2 THR 65 far 0 90 0 - 5.8-8.1 HB2 SER 50 - QG2 THR 65 far 0 68 0 - 6.6-8.0 HA LEU 70 - QG2 THR 65 far 0 87 0 - 7.4-9.5 Violated in 3 structures by 0.02 A. Peak 11028 from cnoeabs.peaks (3.62, 1.23, 22.77 ppm; 5.59 A): 2 out of 3 assignments used, quality = 0.99: HA2 GLY 66 + QG2 THR 65 OK 94 95 100 100 3.1-4.7 4.9/2074=80, ~6853=66...(20) HA3 GLY 66 + QG2 THR 65 OK 87 87 100 100 4.2-5.5 4.9/2074=80, ~6853=66...(17) HD2 PRO 58 - QG2 THR 65 far 0 100 0 - 8.1-10.3 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 3 assignments used, quality = 0.78: H GLN 68 + QG2 THR 65 OK 78 78 100 100 4.3-5.4 5.1/11016=65...(12) H GLU 128 - QG2 THR 65 far 0 100 0 - 9.5-11.3 H GLN 104 - QG2 THR 65 far 0 97 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 11030 from cnoeabs.peaks (8.66, 1.23, 22.77 ppm; 5.52 A): 2 out of 3 assignments used, quality = 1.00: H SER 50 + QG2 THR 65 OK 100 100 100 100 4.2-5.2 3.2/11703=87, 9212=66...(15) H HIS 67 + QG2 THR 65 OK 100 100 100 100 4.6-5.7 6864/4.4=78, 6845/4.0=67...(12) H SER 60 - QG2 THR 65 far 0 99 0 - 9.2-10.3 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 1.8-3.8 10045/2.9=78...(25) QD1 LEU 100 + HA2 GLY 66 OK 95 95 100 100 2.4-4.5 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 17 assignments used, quality = 1.00: QG2 VAL 63 + HA3 GLY 66 OK 80 83 100 97 5.0-6.0 ~2019=38, 3.2/10975=34...(15) QD2 LEU 69 + HA2 GLY 66 OK 77 78 100 100 1.8-4.6 2.1/11058=84...(28) QD2 LEU 69 + HA3 GLY 66 OK 76 81 95 100 3.1-6.1 ~11058=65, 9433/2.9=40...(27) QD1 LEU 49 + HA2 GLY 66 OK 74 75 100 99 1.9-5.7 2.1/9208=49, 9433/2.9=48...(16) QD1 LEU 49 + HA3 GLY 66 OK 73 78 95 99 3.1-6.5 2.1/9208=49, 9433/2.9=48...(14) QG1 VAL 118 - HA3 GLY 66 poor 20 98 20 - 5.6-7.3 QD1 LEU 62 - HA3 GLY 66 far 4 76 5 - 5.9-7.8 QD2 LEU 123 - HA2 GLY 66 far 0 98 0 - 6.3-10.1 QD2 LEU 48 - HA2 GLY 66 far 0 84 0 - 6.4-8.9 QG2 VAL 63 - HA2 GLY 66 far 0 80 0 - 6.4-7.3 QG1 VAL 118 - HA2 GLY 66 far 0 96 0 - 6.5-8.6 QD2 LEU 123 - HA3 GLY 66 far 0 99 0 - 6.5-10.1 QD1 LEU 62 - HA2 GLY 66 far 0 73 0 - 6.6-8.6 QD2 LEU 48 - HA3 GLY 66 far 0 87 0 - 7.2-9.5 QG2 VAL 57 - HA3 GLY 66 far 0 63 0 - 8.4-9.7 QG2 VAL 57 - HA2 GLY 66 far 0 60 0 - 8.6-9.9 QD1 LEU 98 - HA3 GLY 66 far 0 63 0 - 9.5-11.6 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 5 assignments used, quality = 0.80: H LEU 69 + HA HIS 67 OK 80 81 100 100 3.9-5.0 6916=72, 3.6/6936=67...(13) H LEU 96 - HA HIS 67 far 0 100 0 - 8.5-10.8 H SER 99 - HA HIS 67 far 0 93 0 - 8.7-10.2 H VAL 126 - HA HIS 67 far 0 95 0 - 9.8-11.9 H ALA 29 - HA HIS 67 far 0 60 0 - 9.9-25.5 Violated in 1 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 5.0-5.5 6864/2.9=81, 6877/3.6=60...(9) Violated in 0 structures by 0.00 A. Peak 11036 from cnoeabs.peaks (2.22, 4.22, 58.98 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.70: HG2 GLN 68 + HA HIS 67 OK 60 96 65 97 4.9-7.2 2150/3.6=65...(11) HB2 GLN 68 + HA HIS 67 OK 24 100 25 96 5.5-6.6 2139/6916=60...(12) HB3 GLU 97 - HA HIS 67 far 15 100 15 - 4.9-8.0 HB3 GLN 104 - HA HIS 67 far 0 100 0 - 5.8-10.3 HB2 GLN 101 - HA HIS 67 far 0 95 0 - 6.7-10.3 HB2 GLN 104 - HA HIS 67 far 0 57 0 - 6.9-10.4 HB3 LEU 96 - HA HIS 67 far 0 89 0 - 7.7-9.9 Violated in 20 structures by 0.32 A. Peak 11039 from cnoeabs.peaks (8.44, 3.99, 58.83 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.94: H VAL 93 + HA GLU 91 OK 78 79 100 100 4.4-5.0 7258/3.6=83, 7263/2.9=72...(9) H LEU 70 + HA GLN 68 OK 73 73 100 100 4.2-5.0 3.4/6956=73, 6938=62...(12) H ALA 12 - HA GLN 68 far 0 100 0 - 8.9-38.8 Violated in 0 structures by 0.00 A. Peak 11040 from cnoeabs.peaks (1.38, 3.99, 58.83 ppm; 6.80 A): 2 out of 11 assignments used, quality = 0.65: HG2 LYS 95 + HA GLU 91 OK 48 79 100 61 4.6-7.3 9911/3.9=31, 4.6/7290=20...(4) HG3 LYS 95 + HA GLU 91 OK 33 80 100 41 5.1-7.4 4.6/7290=20, ~11309=18 QB ALA 29 - HA GLN 68 far 15 100 15 - 4.4-17.5 HG2 LYS 36 - HA GLN 68 far 5 100 5 - 6.1-11.7 HB2 LEU 96 - HA GLU 91 far 0 81 0 - 8.0-10.7 QB ALA 12 - HA GLN 68 far 0 81 0 - 8.2-32.6 QB ALA 28 - HA GLN 68 far 0 100 0 - 8.3-19.2 HG LEU 96 - HA GLN 68 far 0 89 0 - 8.7-11.0 HB3 LEU 100 - HA GLN 68 far 0 100 0 - 9.1-10.5 HG LEU 96 - HA GLU 91 far 0 66 0 - 9.3-10.4 HB2 LEU 42 - HA GLN 68 far 0 100 0 - 9.9-11.9 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 3.0-4.7 9479/1.8=84...(23) 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 4 assignments used, quality = 0.83: QD2 LEU 69 + HB3 GLN 68 OK 83 99 85 99 3.9-7.4 6930/4.4=40, ~11022=37...(24) QG2 ILE 32 - HB3 GLN 68 far 12 78 15 - 5.0-14.6 QD2 LEU 70 - HB3 GLN 68 far 0 83 0 - 6.7-8.3 QG2 VAL 20 - HB3 GLN 68 far 0 92 0 - 9.9-26.8 Violated in 8 structures by 0.43 A. Peak 11049 from cnoeabs.peaks (1.67, 2.23, 33.86 ppm; 5.98 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 69 + HG2 GLN 68 OK 100 100 100 100 3.5-5.9 11022/1.8=98...(32) HD2 LYS 26 - HG2 GLN 68 far 0 95 0 - 7.5-34.6 HD3 LYS 26 - HG2 GLN 68 far 0 92 0 - 7.7-33.6 HD2 LYS 36 - HG2 GLN 68 far 0 100 0 - 8.4-12.8 HD3 LYS 36 - HG2 GLN 68 far 0 100 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. Peak 11050 from cnoeabs.peaks (2.81, 2.23, 33.86 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.55: HB3 ASP 71 + HG2 GLN 68 OK 55 100 55 100 5.9-7.9 2129/2151=92...(12) HB3 ASP 64 - HG2 GLN 68 poor 10 98 40 25 6.3-9.1 9429/2065=11...(3) Violated in 20 structures by 0.86 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 2.0-3.4 9531=93, 6983/6973=77...(25) HD2 HIS 67 - HA LEU 69 far 0 96 0 - 7.6-9.7 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 3.1-5.3 2.2/11028=100...(19) Violated in 0 structures by 0.00 A. Peak 11057 from cnoeabs.peaks (0.80, 4.33, 58.25 ppm; 5.47 A): 3 out of 9 assignments used, quality = 0.99: QD1 LEU 70 + HA LEU 69 OK 89 89 100 100 5.9-6.3 6950/3.6=76...(18) QD2 LEU 49 + HA LEU 69 OK 78 100 80 98 4.5-7.3 11250/3.6=63...(14) QG2 ILE 129 + HA LEU 69 OK 60 83 80 91 4.4-7.4 10486/9100=64...(9) QD1 ILE 37 - HA LEU 69 far 8 76 10 - 5.9-8.4 QD1 LEU 122 - HA LEU 69 far 0 100 0 - 6.6-10.0 QD1 ILE 32 - HA LEU 69 far 0 71 0 - 6.6-17.0 QD2 LEU 122 - HA LEU 69 far 0 92 0 - 6.8-10.3 QD1 LEU 53 - HA LEU 69 far 0 99 0 - 8.4-14.1 QG1 VAL 63 - HA LEU 69 far 0 85 0 - 8.9-10.4 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 10 assignments used, quality = 1.00: QD1 LEU 96 + HB3 LEU 69 OK 96 96 100 100 2.8-5.7 ~11805=92, ~11694=89...(19) QD2 LEU 49 + HB3 LEU 69 OK 95 95 100 100 2.6-5.4 9431/9443=71...(30) QD1 LEU 53 - HB3 LEU 69 far 10 97 10 - 6.3-12.0 QD2 LEU 43 - HB3 LEU 69 far 6 60 10 - 6.4-9.1 QD2 LEU 122 - HB3 LEU 69 lone 2 100 50 5 4.3-9.1 9448/2190=1 QD1 LEU 122 - HB3 LEU 69 lone 2 76 35 8 4.4-8.8 9448/2190=2, 9419/2066=2...(4) QG1 VAL 63 - HB3 LEU 69 far 0 100 0 - 7.1-10.1 QD1 ILE 32 - HB3 LEU 69 far 0 99 0 - 7.7-19.2 QD1 ILE 37 - HB3 LEU 69 far 0 100 0 - 8.0-10.5 QD1 LEU 103 - HB3 LEU 69 far 0 100 0 - 9.1-12.1 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 1.9-4.0 11046/2.1=83...(27) Violated in 2 structures by 0.00 A. Peak 11061 from cnoeabs.peaks (0.78, 0.87, 28.07 ppm; 3.11 A): 2 out of 11 assignments used, quality = 0.94: QD2 LEU 49 + QD2 LEU 69 OK 80 89 95 95 1.7-4.6 9431/11044=27...(27) QD1 LEU 96 + QD2 LEU 69 OK 73 99 85 86 2.0-4.7 11036/2.1=23, ~11805=21...(16) QD1 LEU 122 - QD2 LEU 69 far 3 65 5 - 3.1-6.4 QD2 LEU 122 - QD2 LEU 69 lone 0 99 25 1 3.5-7.5 QD1 LEU 53 - QD2 LEU 69 far 0 93 0 - 4.5-8.6 QD2 LEU 43 - QD2 LEU 69 far 0 71 0 - 5.1-7.6 QG1 VAL 63 - QD2 LEU 69 far 0 100 0 - 6.4-8.7 QD1 LEU 103 - QD2 LEU 69 far 0 100 0 - 6.7-10.2 QD1 ILE 37 - QD2 LEU 69 far 0 100 0 - 7.5-9.0 QD2 LEU 119 - QD2 LEU 69 far 0 81 0 - 8.0-10.7 QD1 ILE 32 - QD2 LEU 69 far 0 100 0 - 8.4-16.4 Violated in 3 structures by 0.06 A. Peak 11062 from cnoeabs.peaks (0.64, 0.87, 28.07 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.34: QD1 LEU 42 + QD2 LEU 69 OK 34 97 35 100 3.5-5.4 2.1/11042=63...(27) QD1 ILE 129 - QD2 LEU 69 poor 20 100 20 - 4.4-6.3 Violated in 17 structures by 0.89 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 1.8-3.3 11045/2.1=57...(26) Violated in 0 structures by 0.00 A. Peak 11064 from cnoeabs.peaks (0.77, 1.01, 23.30 ppm; 3.82 A): 4 out of 13 assignments used, quality = 0.92: QD2 LEU 96 + QD1 LEU 69 OK 54 73 75 98 2.0-5.1 11040/2.1=40...(22) QD1 LEU 96 + QD1 LEU 69 OK 53 100 55 97 2.6-5.5 11040/2.1=41...(16) QD2 LEU 49 + QD1 LEU 69 OK 51 73 70 99 2.3-5.9 11061/2.1=44...(27) HG12 ILE 129 + QD1 LEU 69 OK 22 76 30 96 3.5-7.5 2.1/11038=73, ~11713=39...(11) QD2 LEU 43 - QD1 LEU 69 poor 19 87 25 86 4.1-5.9 9176/11063=55...(6) QG1 VAL 93 - QD1 LEU 69 far 11 76 15 - 4.3-7.1 QD2 LEU 122 - QD1 LEU 69 far 9 93 10 - 4.2-8.4 QD1 LEU 53 - QD1 LEU 69 far 0 81 0 - 5.8-9.7 QD1 ILE 37 - QD1 LEU 69 far 0 99 0 - 5.9-8.1 QD1 ILE 32 - QD1 LEU 69 far 0 100 0 - 6.7-15.8 QG1 VAL 63 - QD1 LEU 69 far 0 97 0 - 8.3-9.5 QD1 LEU 103 - QD1 LEU 69 far 0 98 0 - 8.7-11.5 QD2 LEU 119 - QD1 LEU 69 far 0 63 0 - 9.6-12.3 Violated in 4 structures by 0.04 A. Peak 11065 from cnoeabs.peaks (0.65, 1.01, 23.30 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 42 + QD1 LEU 69 OK 94 95 100 100 1.9-3.7 2.1/11039=73, 9084=63...(30) QD1 ILE 129 + QD1 LEU 69 OK 37 99 40 93 3.6-6.5 11713/2.1=54...(14) QD2 LEU 62 - QD1 LEU 69 far 0 60 0 - 6.8-9.4 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 = 0.91: QD2 LEU 42 + QD1 LEU 69 OK 91 97 95 100 2.8-4.4 2.1/11065=46...(27) Violated in 14 structures by 0.39 A. Peak 11067 from cnoeabs.peaks (0.77, 1.51, 27.00 ppm; 3.92 A): 2 out of 12 assignments used, quality = 0.98: QD2 LEU 96 + HG LEU 69 OK 87 89 100 98 2.4-4.4 11805/2.9=56...(18) QD1 LEU 96 + HG LEU 69 OK 86 99 90 96 3.2-4.9 11040/2.1=44, ~11805=38...(14) HG12 ILE 129 - HG LEU 69 far 14 90 15 - 3.8-8.4 QD2 LEU 122 - HG LEU 69 far 0 81 0 - 4.9-8.1 QG1 VAL 93 - HG LEU 69 far 0 90 0 - 5.6-7.5 QD1 LEU 53 - HG LEU 69 far 0 63 0 - 5.7-12.2 QD2 LEU 43 - HG LEU 69 far 0 97 0 - 6.0-8.8 QD1 ILE 37 - HG LEU 69 far 0 95 0 - 7.8-11.3 QG1 VAL 63 - HG LEU 69 far 0 89 0 - 8.2-10.6 QD2 LEU 103 - HG LEU 69 far 0 71 0 - 8.8-12.0 QD1 ILE 32 - HG LEU 69 far 0 97 0 - 9.0-19.7 QD1 LEU 103 - HG LEU 69 far 0 90 0 - 9.6-12.0 Violated in 2 structures by 0.01 A. Peak 11069 from cnoeabs.peaks (2.08, 1.01, 23.30 ppm; 4.46 A): 1 out of 8 assignments used, quality = 0.21: HB VAL 126 + QD1 LEU 69 OK 21 78 35 76 3.9-6.4 ~11052=41, ~11077=32...(7) HB3 GLU 44 - QD1 LEU 69 far 0 100 0 - 5.5-8.5 HB2 GLN 127 - QD1 LEU 69 far 0 68 0 - 7.0-9.4 HB2 GLU 128 - QD1 LEU 69 far 0 100 0 - 7.1-10.0 HB3 LYS 39 - QD1 LEU 69 far 0 100 0 - 8.0-10.9 HG3 GLN 134 - QD1 LEU 69 far 0 100 0 - 8.4-11.1 HB2 LEU 62 - QD1 LEU 69 far 0 68 0 - 9.5-12.1 HG3 GLU 91 - QD1 LEU 69 far 0 68 0 - 9.8-13.0 Violated in 17 structures by 1.05 A. Peak 11070 from cnoeabs.peaks (1.99, 0.87, 28.07 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.80: HB ILE 129 + QD2 LEU 69 OK 80 95 85 100 3.5-6.4 9086/11042=64...(18) HB3 LEU 53 - QD2 LEU 69 far 0 100 0 - 7.3-11.3 HB ILE 37 - QD2 LEU 69 far 0 78 0 - 8.8-11.0 Violated in 13 structures by 0.37 A. Peak 11071 from cnoeabs.peaks (2.94, 1.01, 23.30 ppm; 3.52 A): 2 out of 8 assignments used, quality = 0.99: HB2 CYS 45 + QD1 LEU 69 OK 95 100 95 100 1.8-4.7 1.8/11061=55, 9160=54...(20) HG CYS 73 + QD1 LEU 69 OK 80 100 90 89 2.0-6.3 9555/11084=28...(16) HE2 LYS 36 - QD1 LEU 69 far 0 90 0 - 5.8-11.9 HE3 LYS 36 - QD1 LEU 69 far 0 83 0 - 6.1-10.8 HE2 LYS 39 - QD1 LEU 69 far 0 97 0 - 7.8-11.4 HE3 LYS 26 - QD1 LEU 69 far 0 68 0 - 8.9-30.0 HE3 LYS 39 - QD1 LEU 69 far 0 93 0 - 8.9-11.3 HE2 LYS 26 - QD1 LEU 69 far 0 68 0 - 9.6-29.4 Violated in 1 structures by 0.03 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 1.9-4.9 1.8/11062=98, 9159=80...(23) HB3 TYR 76 - QD1 LEU 69 far 10 100 10 - 4.8-7.3 Violated in 1 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 98 99 100 99 1.9-5.9 3.8/11084=60...(21) HB3 TYR 72 + QD1 LEU 69 OK 95 95 100 100 2.7-4.9 2.7/11064=86, 9514=68...(22) HB2 HIS 67 - QD1 LEU 69 far 0 92 0 - 6.4-8.8 HB2 PHE 89 - QD1 LEU 69 far 0 95 0 - 7.5-10.5 HB3 PHE 89 - QD1 LEU 69 far 0 99 0 - 7.5-10.6 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 = 0.98: HA LEU 42 + QD1 LEU 69 OK 97 97 100 100 2.0-5.0 9072=94, 3.9/11039=78...(11) HA ILE 129 + QD1 LEU 69 OK 29 100 30 96 4.5-7.8 4.2/11038=71, ~11070=43...(9) HA VAL 77 - QD1 LEU 69 far 0 87 0 - 7.3-10.1 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 2.0-4.2 2.1/11046=92...(24) HA LEU 70 + QD1 LEU 69 OK 69 99 70 100 3.4-5.8 2.9/6944=55, 4.9/2208=47...(20) HA ALA 41 - QD1 LEU 69 far 0 81 0 - 5.5-8.7 HB3 SER 50 - QD1 LEU 69 far 0 100 0 - 6.5-9.7 HA3 GLY 75 - QD1 LEU 69 far 0 92 0 - 8.3-10.5 HA LYS 86 - QD1 LEU 69 far 0 100 0 - 9.2-12.2 HB2 SER 94 - QD1 LEU 69 far 0 93 0 - 9.4-12.6 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 1.8-3.5 9174=99, 2.1/11045=85...(26) HA LEU 70 - QD2 LEU 69 poor 19 97 20 - 3.5-6.1 HB3 SER 50 - QD2 LEU 69 far 0 100 0 - 5.6-8.3 HA ALA 41 - QD2 LEU 69 far 0 87 0 - 7.1-9.5 HA3 GLY 75 - QD2 LEU 69 far 0 96 0 - 10.0-11.8 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 3 assignments used, quality = 0.99: HA VAL 126 + QD2 LEU 69 OK 99 100 100 99 3.1-5.4 9187/11045=70, ~11069=61...(13) HA ILE 129 - QD2 LEU 69 far 11 73 15 - 6.0-8.9 HA VAL 77 - QD2 LEU 69 far 0 97 0 - 9.6-12.3 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 = 0.98: HB2 CYS 45 + QD2 LEU 69 OK 92 92 100 100 2.0-4.3 11062/2.1=82, ~11061=67...(24) HG CYS 73 + QD2 LEU 69 OK 76 98 80 97 3.5-8.0 9186/11045=47...(13) HE2 LYS 39 - QD2 LEU 69 far 0 100 0 - 9.5-13.4 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 = 0.97: HB2 CYS 45 + HG LEU 69 OK 87 92 95 100 4.4-6.2 11062/2.1=83, ~11061=68...(20) HG CYS 73 + HG LEU 69 OK 79 98 85 95 2.0-8.7 10462/11637=41...(13) Violated in 2 structures by 0.06 A. Peak 11080 from cnoeabs.peaks (7.14, 1.01, 23.30 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.92: QD TYR 72 + QD1 LEU 69 OK 92 97 95 100 1.9-5.3 2.7/11060=47...(25) HD2 HIS 67 - QD1 LEU 69 far 0 93 0 - 7.5-9.7 HE22 GLN 134 - QD1 LEU 69 far 0 99 0 - 9.4-12.3 Violated in 3 structures by 0.11 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 3.4-6.7 2.2/11080=100...(21) HE21 GLN 127 - QD1 LEU 69 far 5 98 5 - 6.8-11.6 Violated in 2 structures by 0.01 A. Peak 11082 from cnoeabs.peaks (7.70, 1.01, 23.30 ppm; 5.26 A): 1 out of 4 assignments used, quality = 0.96: H CYS 45 + QD1 LEU 69 OK 96 96 100 100 3.4-5.8 3.2/11083=85...(22) H LYS 95 - QD1 LEU 69 far 0 99 0 - 8.0-11.2 H GLN 101 - QD1 LEU 69 far 0 81 0 - 8.7-11.9 H LEU 53 - QD1 LEU 69 far 0 92 0 - 8.9-11.7 Violated in 3 structures by 0.04 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 2.3-4.1 9165=83, 3.1/11046=71...(27) Violated in 1 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 2.8-4.9 9563=96, 3.5/9522=64...(26) 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 2.3-5.1 2.9/11054=88...(22) Violated in 1 structures by 0.01 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 3.5-5.6 9108/11042=89...(27) HD2 HIS 67 - QD2 LEU 69 poor 9 63 50 28 5.7-9.1 4.0/11063=15...(3) HE22 GLN 134 - QD2 LEU 69 far 0 99 0 - 9.5-14.7 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 6 assignments used, quality = 0.98: HA GLN 134 + QD2 LEU 43 OK 95 95 100 100 3.5-5.6 11682=91, 3.0/11074=91...(21) HA ASP 47 + QD2 LEU 43 OK 71 100 90 79 5.4-7.2 10901/9176=59...(4) HA LEU 69 - QD2 LEU 43 far 10 98 10 - 6.7-8.6 HA TYR 76 - QD2 LEU 43 far 0 63 0 - 7.8-9.6 HA PRO 81 - QD2 LEU 43 far 0 100 0 - 8.6-14.3 HA CYS 125 - QD2 LEU 43 far 0 92 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 11088 from cnoeabs.peaks (1.36, 0.75, 22.33 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.96: QB ALA 46 + QD2 LEU 43 OK 92 92 100 100 2.9-3.5 9176=87, 9177/9129=43...(16) HB2 LEU 42 + QD2 LEU 43 OK 55 78 75 94 2.1-5.0 3.1/9129=56...(10) HG2 LYS 36 - QD2 LEU 43 far 0 73 0 - 8.6-14.0 HB2 LEU 96 - QD2 LEU 43 far 0 73 0 - 9.6-10.8 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 2.5-4.1 11901/2.1=79...(37) HG2 LYS 39 + QD2 LEU 43 OK 63 85 75 99 3.2-5.2 ~11901=53, 11806/2.1=31...(38) QG2 VAL 132 - QD2 LEU 43 far 0 92 0 - 5.5-6.2 QB ALA 41 - QD2 LEU 43 far 0 89 0 - 5.8-7.1 QG1 VAL 132 - QD2 LEU 43 far 0 76 0 - 5.9-6.8 QG2 VAL 77 - QD2 LEU 43 far 0 63 0 - 7.8-10.0 Violated in 1 structures by 0.00 A. Peak 11090 from cnoeabs.peaks (1.04, 0.75, 22.33 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.7-2.6 11776=100, 2.1/11777=71...(31) QG1 VAL 77 - QD2 LEU 43 far 0 87 0 - 8.7-10.4 Violated in 0 structures by 0.00 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 3.8-4.1 2.9/11747=84...(20) H LEU 48 - QD2 LEU 43 far 0 96 0 - 7.1-7.7 H TYR 76 - QD2 LEU 43 far 0 97 0 - 8.1-10.0 H CYS 79 - QD2 LEU 43 far 0 97 0 - 9.0-11.6 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 2 assignments used, quality = 0.89: H VAL 133 + QD2 LEU 43 OK 89 89 100 100 3.6-4.4 4.0/11777=74...(15) H ASP 71 - QD2 LEU 43 far 0 71 0 - 10.0-11.8 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 1 assignment used, quality = 0.76: H ALA 46 + QD2 LEU 43 OK 76 76 100 100 4.6-5.0 3.1/9176=95...(9) Violated in 0 structures by 0.00 A. Peak 11096 from cnoeabs.peaks (7.14, 0.82, 25.52 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.81: HD2 HIS 67 + QD1 LEU 70 OK 81 98 85 98 1.9-5.9 11081/2.1=66...(12) HD2 HIS 67 - QD1 LEU 122 far 0 58 0 - 6.0-9.8 QD TYR 72 - QD1 LEU 70 far 0 100 0 - 6.5-7.5 QD TYR 72 - QD1 LEU 122 far 0 60 0 - 8.0-11.5 Violated in 10 structures by 0.44 A. Peak 11097 from cnoeabs.peaks (7.70, 0.82, 25.52 ppm; 5.32 A): 1 out of 6 assignments used, quality = 0.44: H GLN 101 + QD1 LEU 70 OK 44 76 70 83 4.3-7.1 7415/9487=28, ~2268=22...(11) H GLN 101 - QD1 LEU 122 poor 20 40 50 - 4.4-7.2 H LYS 95 - QD1 LEU 70 far 15 100 15 - 5.6-7.8 H LEU 53 - QD1 LEU 122 poor 6 54 45 27 5.1-8.3 4.0/1659=8, 4.3/1683=7...(5) H LYS 95 - QD1 LEU 122 far 0 61 0 - 7.3-9.6 H CYS 45 - QD1 LEU 122 far 0 52 0 - 9.6-12.4 Violated in 14 structures by 0.59 A. Peak 11098 from cnoeabs.peaks (7.15, 0.86, 25.01 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 67 + QD2 LEU 70 OK 100 100 100 100 2.2-4.6 11096/2.1=91...(7) QD TYR 72 - QD2 LEU 70 far 0 100 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 11099 from cnoeabs.peaks (8.26, 0.82, 25.52 ppm; 4.22 A): 1 out of 10 assignments used, quality = 0.59: H LEU 123 + QD1 LEU 122 OK 59 60 100 98 1.9-4.8 7744/3.1=47, 10513=31...(24) H VAL 126 - QD1 LEU 122 poor 19 35 65 86 3.4-6.2 4.7/9498=34...(19) H SER 99 - QD1 LEU 122 poor 7 33 20 - 3.9-6.6 H LEU 96 - QD1 LEU 70 far 0 97 0 - 5.2-6.9 H LEU 96 - QD1 LEU 122 far 0 57 0 - 5.3-7.6 H SER 99 - QD1 LEU 70 far 0 65 0 - 6.4-7.7 H VAL 126 - QD1 LEU 70 far 0 68 0 - 8.0-9.9 H SER 107 - QD1 LEU 122 far 0 28 0 - 8.2-11.2 H LEU 123 - QD1 LEU 70 far 0 100 0 - 9.3-12.1 H ASP 131 - QD1 LEU 122 far 0 60 0 - 9.9-13.2 Violated in 9 structures by 0.16 A. Peak 11101 from cnoeabs.peaks (3.78, 0.82, 25.52 ppm; 3.54 A): 1 out of 8 assignments used, quality = 0.90: HA GLU 97 + QD1 LEU 70 OK 90 90 100 100 2.6-4.1 10000=76, 11090/2.1=65...(26) HB2 SER 99 - QD1 LEU 122 poor 18 46 40 - 2.1-5.5 HA GLU 97 - QD1 LEU 122 far 5 50 10 - 4.2-6.9 HA ARG 90 - QD1 LEU 70 far 0 90 0 - 5.7-9.1 HB2 SER 99 - QD1 LEU 70 far 0 85 0 - 6.9-9.6 HB3 SER 130 - QD1 LEU 122 far 0 61 0 - 8.6-12.6 HA LEU 43 - QD1 LEU 122 far 0 61 0 - 9.9-12.9 HA SER 130 - QD1 LEU 70 far 0 100 0 - 9.9-12.9 Violated in 10 structures by 0.16 A. Peak 11102 from cnoeabs.peaks (4.21, 0.82, 25.52 ppm; 3.81 A): 1 out of 10 assignments used, quality = 0.54: HA HIS 67 + QD1 LEU 70 OK 54 99 55 100 1.9-5.2 9462=94, 11089/2.1=66...(19) HA SER 94 - QD1 LEU 70 poor 19 76 30 82 3.7-6.3 3117/11111=35...(10) HA SER 99 - QD1 LEU 122 far 9 58 15 - 3.9-7.1 HA HIS 67 - QD1 LEU 122 far 0 58 0 - 5.0-8.6 HA SER 99 - QD1 LEU 70 far 0 99 0 - 7.7-9.6 HA SER 94 - QD1 LEU 122 far 0 40 0 - 8.0-10.4 HA SER 51 - QD1 LEU 122 far 0 59 0 - 8.6-11.8 HA GLU 128 - QD1 LEU 122 far 0 54 0 - 9.1-12.0 HA VAL 105 - QD1 LEU 70 far 0 85 0 - 9.2-14.3 HA VAL 105 - QD1 LEU 122 far 0 46 0 - 9.4-12.4 Violated in 11 structures by 0.63 A. Peak 11103 from cnoeabs.peaks (3.77, 0.86, 25.01 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: HA GLU 97 + QD2 LEU 70 OK 100 100 100 100 1.8-2.5 10000/2.1=73...(27) HB2 SER 99 - QD2 LEU 70 far 0 99 0 - 5.8-7.4 HA ARG 90 - QD2 LEU 70 far 0 65 0 - 6.8-7.9 HB3 SER 130 - QD2 LEU 70 far 0 99 0 - 9.3-11.7 HA LEU 43 - QD2 LEU 70 far 0 93 0 - 9.3-11.3 HA SER 130 - QD2 LEU 70 far 0 92 0 - 9.5-11.4 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 100 100 100 100 2.3-3.9 9462/2.1=88...(20) HA SER 94 + QD2 LEU 70 OK 66 83 80 99 4.6-5.5 3117/11109=51...(16) HA SER 99 - QD2 LEU 70 far 0 100 0 - 6.9-7.8 HA VAL 105 - QD2 LEU 70 far 0 78 0 - 9.9-12.7 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 4 assignments used, quality = 0.99: HG CYS 73 + HA LEU 70 OK 99 99 100 100 2.0-4.5 3.4/2233=67, 3.4/2232=65...(13) HB2 CYS 45 - HA LEU 70 far 0 96 0 - 7.2-9.6 HE2 LYS 19 - HA LEU 70 far 0 63 0 - 8.4-32.7 HE2 LYS 36 - HA LEU 70 far 0 65 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 11106 from cnoeabs.peaks (2.24, 3.88, 58.34 ppm; 6.19 A): 3 out of 5 assignments used, quality = 0.98: HB3 LEU 96 + HA LEU 70 OK 93 98 95 100 5.6-7.1 3.2/11810=95...(6) HG2 GLU 97 + HA LEU 70 OK 50 68 85 87 3.7-7.6 11100/2261=44...(6) HB3 GLU 97 + HA LEU 70 OK 49 60 95 87 4.6-7.2 9496/2269=64...(3) HG2 GLN 68 - HA LEU 70 far 9 93 10 - 7.0-8.2 HB2 GLN 68 - HA LEU 70 far 0 68 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 11107 from cnoeabs.peaks (3.35, 1.71, 41.52 ppm; 6.38 A): 6 out of 8 assignments used, quality = 1.00: HB2 HIS 67 + HB2 LEU 70 OK 89 99 90 100 4.9-7.5 ~9462=70, ~11089=70...(28) HB3 CYS 73 + HB2 LEU 70 OK 63 63 100 100 4.9-6.8 11093/3.2=97, ~2232=81...(17) HB3 CYS 73 + HB3 LEU 70 OK 62 62 100 100 4.3-6.6 11093/3.2=97...(18) HB3 TYR 72 + HB2 LEU 70 OK 56 98 70 81 6.6-7.5 ~11135=53, 4.4/9561=29...(8) HB2 HIS 67 + HB3 LEU 70 OK 54 98 55 100 5.0-8.3 ~9462=70, ~11089=70...(31) HB3 TYR 72 + HB3 LEU 70 OK 41 97 50 83 6.6-7.7 ~11135=53, 4.4/9561=28...(9) HA VAL 63 - HB3 LEU 70 far 4 88 5 - 7.2-10.3 HA VAL 63 - HB2 LEU 70 far 0 89 0 - 8.2-10.4 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 3 assignments used, quality = 1.00: HB3 ASP 71 + HB2 LEU 70 OK 100 100 100 100 3.9-6.0 6968/4.3=97, 9499/3.2=76...(11) HB3 ASP 71 + HB3 LEU 70 OK 100 100 100 100 4.9-7.4 6968/4.3=97, ~9509=80...(12) HB3 ASP 64 - HB3 LEU 70 far 0 96 0 - 10.0-13.6 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...(27) HB VAL 126 - QD2 LEU 70 far 0 57 0 - 6.0-8.1 HG3 GLU 91 - QD2 LEU 70 far 0 68 0 - 9.7-11.2 Violated in 4 structures by 0.04 A. Peak 11110 from cnoeabs.peaks (2.24, 0.82, 25.52 ppm; 3.39 A): 2 out of 19 assignments used, quality = 0.85: HB3 GLU 97 + QD1 LEU 70 OK 71 71 100 100 1.9-4.2 1.8/11111=60...(29) HG2 GLU 97 + QD1 LEU 70 OK 49 57 85 100 2.4-4.4 1.8/9489=63...(27) HB3 LEU 96 - QD1 LEU 122 far 3 60 5 - 4.2-6.8 HB3 LEU 96 - QD1 LEU 70 far 0 100 0 - 5.2-6.8 HB3 GLN 104 - QD1 LEU 122 far 0 46 0 - 5.5-9.2 HG2 GLU 97 - QD1 LEU 122 far 0 28 0 - 5.6-8.8 HB3 GLN 127 - QD1 LEU 122 far 0 51 0 - 5.9-10.6 HB3 GLU 102 - QD1 LEU 122 far 0 55 0 - 5.9-10.0 HB3 GLU 97 - QD1 LEU 122 far 0 36 0 - 6.3-8.9 HB2 GLN 68 - QD1 LEU 70 far 0 78 0 - 6.3-8.7 HG2 GLN 68 - QD1 LEU 70 far 0 97 0 - 6.3-8.5 HB3 GLN 104 - QD1 LEU 70 far 0 85 0 - 6.4-12.2 HG2 GLN 68 - QD1 LEU 122 far 0 57 0 - 6.9-9.4 HB2 GLN 68 - QD1 LEU 122 far 0 41 0 - 7.1-11.6 HB VAL 105 - QD1 LEU 70 far 0 73 0 - 8.5-14.1 HB3 GLU 128 - QD1 LEU 122 far 0 50 0 - 8.9-12.1 HB3 GLU 102 - QD1 LEU 70 far 0 96 0 - 9.2-12.5 HG2 GLU 91 - QD1 LEU 70 far 0 93 0 - 9.3-12.4 HB VAL 105 - QD1 LEU 122 far 0 38 0 - 9.7-12.9 Violated in 1 structures by 0.01 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 1.9-4.3 11109/2.1=69...(27) HB VAL 126 - QD1 LEU 122 poor 18 28 65 - 2.7-6.3 HB2 GLU 97 - QD1 LEU 122 far 0 61 0 - 5.8-9.0 HB VAL 126 - QD1 LEU 70 far 0 57 0 - 8.2-10.0 HG3 GLU 91 - QD1 LEU 70 far 0 68 0 - 9.8-12.3 Violated in 7 structures by 0.12 A. Peak 11112 from cnoeabs.peaks (2.20, 1.71, 41.52 ppm; 5.89 A): 3 out of 14 assignments used, quality = 0.99: HB3 GLU 97 + HB2 LEU 70 OK 89 93 95 100 3.9-7.0 ~11109=77, ~11111=77...(30) HB3 GLU 97 + HB3 LEU 70 OK 88 92 95 100 2.7-6.8 ~11109=77, ~11111=77...(32) HG2 GLN 68 + HB3 LEU 70 OK 24 59 50 81 5.9-8.7 ~9483=52, ~11027=33...(8) HB2 GLN 68 - HB3 LEU 70 far 9 88 10 - 6.3-9.2 HB3 GLN 68 - HB3 LEU 70 far 4 72 5 - 6.4-9.4 HG2 GLN 68 - HB2 LEU 70 far 3 60 5 - 6.7-8.5 HB3 GLN 68 - HB2 LEU 70 far 0 73 0 - 6.9-8.9 HB2 GLN 68 - HB2 LEU 70 far 0 89 0 - 7.0-8.9 HB2 GLN 101 - HB3 LEU 70 far 0 99 0 - 7.6-10.6 HB3 GLN 104 - HB3 LEU 70 far 0 82 0 - 7.6-12.2 HB2 GLN 101 - HB2 LEU 70 far 0 100 0 - 7.8-10.7 HB3 GLN 104 - HB2 LEU 70 far 0 83 0 - 8.1-12.9 HB2 GLN 104 - HB3 LEU 70 far 0 94 0 - 8.4-13.4 HB2 GLN 104 - HB2 LEU 70 far 0 95 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 11113 from cnoeabs.peaks (1.38, 1.71, 41.52 ppm; 5.24 A): 4 out of 14 assignments used, quality = 0.99: HG LEU 96 + HB3 LEU 70 OK 92 92 100 100 3.4-5.7 ~11810=62, ~11692=56...(18) HG LEU 96 + HB2 LEU 70 OK 70 93 75 100 5.1-6.6 ~11810=62, ~11692=56...(18) HB3 LEU 100 + HB3 LEU 70 OK 64 99 65 99 4.5-7.7 ~11107=49, ~11115=47...(18) HB3 LEU 100 + HB2 LEU 70 OK 30 100 30 99 5.6-7.9 ~11107=49, ~11115=47...(18) HB2 LEU 96 - HB3 LEU 70 far 10 100 10 - 5.6-7.7 HB2 LEU 96 - HB2 LEU 70 far 0 100 0 - 7.3-9.2 QB ALA 29 - HB2 LEU 70 far 0 100 0 - 7.6-20.8 QB ALA 29 - HB3 LEU 70 far 0 100 0 - 8.0-21.9 QB ALA 12 - HB2 LEU 70 far 0 73 0 - 8.1-36.8 QB ALA 16 - HB2 LEU 70 far 0 81 0 - 8.5-31.3 QB ALA 15 - HB2 LEU 70 far 0 100 0 - 8.9-33.6 QB ALA 12 - HB3 LEU 70 far 0 72 0 - 9.2-37.8 QB ALA 16 - HB3 LEU 70 far 0 80 0 - 9.8-32.6 HG3 LYS 95 - HB3 LEU 70 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 11114 from cnoeabs.peaks (1.40, 0.86, 25.01 ppm; 3.54 A): 3 out of 10 assignments used, quality = 1.00: HG LEU 96 + QD2 LEU 70 OK 99 100 100 99 1.9-2.9 9488/2.1=50...(22) HB3 LEU 100 + QD2 LEU 70 OK 83 87 100 95 2.1-4.4 3.2/11107=57...(24) HB2 LEU 96 + QD2 LEU 70 OK 68 89 80 96 3.8-5.3 11916=45, 3.8/11083=38...(22) HG2 LYS 95 - QD2 LEU 70 far 0 97 0 - 7.4-9.6 HG3 LYS 95 - QD2 LEU 70 far 0 96 0 - 8.0-9.2 QB ALA 16 - QD2 LEU 70 far 0 99 0 - 8.4-28.3 QB ALA 29 - QD2 LEU 70 far 0 89 0 - 8.5-18.9 HB2 LEU 42 - QD2 LEU 70 far 0 85 0 - 9.1-11.0 QB ALA 108 - QD2 LEU 70 far 0 95 0 - 9.3-14.3 QB ALA 15 - QD2 LEU 70 far 0 92 0 - 9.5-28.2 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 = 0.99: QD1 LEU 100 + QD2 LEU 70 OK 99 100 100 99 1.8-3.2 9487/2.1=43...(28) QD1 LEU 42 - QD2 LEU 70 far 0 60 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 11116 from cnoeabs.peaks (0.65, 3.88, 58.34 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 42 + HA LEU 70 OK 91 95 100 96 4.6-5.9 9565/6989=58...(9) QD1 ILE 129 + HA LEU 70 OK 83 99 85 98 5.1-6.8 10487/9484=76...(8) Violated in 1 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (1.63, 4.42, 57.33 ppm; 5.44 A): 1 out of 5 assignments used, quality = 0.85: HG LEU 70 + HA ASP 71 OK 85 85 100 100 4.6-5.9 2.1/11115=93...(16) HD2 LYS 19 - HA ASP 71 far 4 87 5 - 5.8-30.6 HD3 LYS 19 - HA ASP 71 far 4 87 5 - 5.9-30.2 HD3 LYS 24 - HA ASP 71 far 0 60 0 - 8.2-31.0 HD3 LYS 26 - HA ASP 71 far 0 65 0 - 9.7-29.8 Violated in 13 structures by 0.17 A. Peak 11118 from cnoeabs.peaks (2.21, 2.81, 39.26 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.99: HB2 GLN 68 + HB3 ASP 71 OK 96 96 100 100 4.3-7.3 3.0/2129=100, ~2128=91...(15) HG2 GLN 68 + HB3 ASP 71 OK 70 73 95 100 5.9-7.9 3.7/2129=99...(11) HB3 GLN 68 + HB3 ASP 71 OK 60 60 100 100 4.2-6.9 3.0/2129=100, ~2128=91...(15) HB3 GLU 97 - HB3 ASP 71 far 0 98 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 11119 from cnoeabs.peaks (2.23, 2.63, 39.26 ppm; 6.63 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 68 + HB2 ASP 71 OK 95 100 95 100 5.0-7.6 2151/2128=98, ~11025=93...(10) HB2 GLN 68 + HB2 ASP 71 OK 93 93 100 100 5.0-6.9 3.0/2128=100, ~2129=90...(14) HB3 GLU 97 - HB2 ASP 71 far 0 89 0 - 7.9-10.9 HB3 GLN 104 - HB2 ASP 71 far 0 97 0 - 9.7-14.7 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 4.5-6.1 3.4/6967=100, ~6968=89...(11) H ALA 12 - HB2 ASP 71 far 5 100 5 - 7.3-41.3 H ALA 34 - HB2 ASP 71 far 5 92 5 - 7.4-13.2 H ASN 13 - HB2 ASP 71 far 0 97 0 - 9.4-40.8 Violated in 0 structures by 0.00 A. Peak 11122 from cnoeabs.peaks (0.83, 4.38, 64.37 ppm; 5.25 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 129 + HA CYS 73 OK 97 97 100 99 3.4-4.7 10457/11145=71...(22) QG1 VAL 133 + HA CYS 73 OK 67 100 70 96 4.9-7.1 11756/11145=63...(12) QD1 LEU 70 + HA CYS 73 OK 47 95 50 100 5.4-8.6 9490/3.0=74...(16) QD2 LEU 70 - HA CYS 73 far 4 71 5 - 6.1-7.8 HG13 ILE 80 - HA CYS 73 far 0 99 0 - 6.4-8.5 QG2 ILE 80 - HA CYS 73 far 0 87 0 - 7.8-8.5 QD1 LEU 122 - HA CYS 73 far 0 71 0 - 9.3-13.3 QG2 ILE 32 - HA CYS 73 far 0 76 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 11124 from cnoeabs.peaks (7.39, 4.38, 64.37 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 89 + HA CYS 73 OK 99 99 100 100 1.9-3.0 2.2/9538=89...(25) 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 5 100 5 - 5.1-6.6 Violated in 20 structures by 1.35 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 3.1-4.4 2.6/11137=81...(18) 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 8 assignments used, quality = 0.00: HD3 LYS 19 - HB3 SER 74 far 5 99 5 - 4.3-32.1 HD3 LYS 19 - HB2 SER 74 far 5 99 5 - 5.2-33.5 HD2 LYS 19 - HB3 SER 74 far 5 99 5 - 5.1-31.2 HD2 LYS 19 - HB2 SER 74 far 5 99 5 - 6.2-32.6 HB2 LEU 69 - HB2 SER 74 far 0 68 0 - 7.8-10.4 HB2 LEU 69 - HB3 SER 74 far 0 68 0 - 8.1-10.7 HD3 LYS 36 - HB3 SER 74 far 0 65 0 - 8.7-11.6 HD2 LYS 36 - HB3 SER 74 far 0 65 0 - 9.9-13.0 Violated in 19 structures by 1.90 A. Peak 11128 from cnoeabs.peaks (1.78, 4.29, 61.54 ppm; 4.01 A): 2 out of 7 assignments used, quality = 0.72: HB2 LYS 24 + HA THR 25 OK 56 60 95 99 4.0-5.6 ~6233=45, 6232/3.0=42...(19) HB2 LYS 26 + HA THR 25 OK 37 68 55 98 4.5-6.1 3.0/11150=66, 4.0/582=64...(23) HB2 ARG 23 - HA THR 25 far 0 81 0 - 6.9-8.7 HB2 LYS 86 - HA SER 74 far 0 80 0 - 8.2-11.8 HB2 LYS 19 - HA SER 74 far 0 64 0 - 8.2-31.6 HB2 LEU 48 - HA THR 25 far 0 100 0 - 9.0-36.4 HB2 LYS 19 - HA THR 25 far 0 68 0 - 9.8-17.2 Violated in 16 structures by 0.09 A. Peak 11129 from cnoeabs.peaks (2.77, 4.07, 62.61 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.97: HB2 CYS 73 + HB2 SER 74 OK 64 68 100 95 4.3-6.4 9588/3.0=52, 4.4/7012=50...(7) HB2 TYR 76 + HB3 SER 74 OK 63 92 90 76 5.9-7.8 9586/4.6=43...(5) HB2 CYS 73 + HB3 SER 74 OK 60 68 100 88 4.9-6.6 9588/3.0=52, 4.4/7012=48...(6) HB2 TYR 76 + HB2 SER 74 OK 46 92 65 77 7.1-8.6 9586/4.6=43...(6) 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 10 assignments used, quality = 0.00: QD1 ILE 37 - HB3 SER 74 far 0 100 0 - 5.9-7.7 QD1 LEU 96 - HB2 SER 74 far 0 99 0 - 6.9-10.1 QD1 ILE 37 - HB2 SER 74 far 0 100 0 - 7.4-9.1 QD1 LEU 96 - HB3 SER 74 far 0 99 0 - 7.5-10.8 QD1 ILE 32 - HB3 SER 74 far 0 100 0 - 8.9-16.5 QD1 LEU 122 - HB2 SER 74 far 0 65 0 - 9.1-13.6 QD1 LEU 122 - HB3 SER 74 far 0 65 0 - 9.5-14.3 QD2 LEU 122 - HB2 SER 74 far 0 99 0 - 9.5-12.9 QD1 ILE 32 - HB2 SER 74 far 0 100 0 - 9.8-17.9 QD2 LEU 49 - HB2 SER 74 far 0 89 0 - 9.9-12.9 Violated in 20 structures by 0.92 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 - HB3 SER 74 poor 18 60 30 - 4.8-7.2 QG2 ILE 37 - HB2 SER 74 far 0 60 0 - 6.1-8.4 QG1 VAL 20 - HB3 SER 74 far 0 100 0 - 6.9-27.0 QG1 VAL 20 - HB2 SER 74 far 0 100 0 - 7.5-28.4 QG2 VAL 20 - HB3 SER 74 far 0 92 0 - 9.4-28.4 QD1 LEU 49 - HB2 SER 74 far 0 99 0 - 9.8-13.3 QG2 VAL 20 - HB2 SER 74 far 0 92 0 - 9.9-29.8 QD1 LEU 49 - HB3 SER 74 far 0 99 0 - 10.0-13.7 Violated in 19 structures by 0.81 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 88 98 100 89 4.3-5.0 7019/2.9=45, ~7018=36...(7) HB2 SER 74 + HA2 GLY 75 OK 87 97 100 89 5.6-6.1 7019/2.9=45, ~7019=36...(7) HA CYS 79 - HA2 GLY 75 far 0 63 0 - 6.8-8.5 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 3.1-5.0 10667/3.0=98, 10833=95...(21) QG1 VAL 20 - HA TYR 76 far 0 87 0 - 7.4-27.2 Violated in 0 structures by 0.00 A. Peak 11134 from cnoeabs.peaks (1.04, 4.31, 59.97 ppm; 5.74 A): 1 out of 2 assignments used, quality = 0.85: QG1 VAL 77 + HA TYR 76 OK 85 85 100 100 4.5-5.0 7043/3.6=83, 9611/3.0=77...(23) QG2 VAL 133 - HA TYR 76 far 5 100 5 - 6.6-8.0 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 - 9.2-11.3 HB3 ASN 85 - HA TYR 76 far 0 97 0 - 9.7-10.7 Violated in 20 structures by 4.12 A. Peak 11137 from cnoeabs.peaks (4.39, 3.13, 40.72 ppm; 5.49 A): 1 out of 3 assignments used, quality = 0.99: HA CYS 73 + HB3 TYR 76 OK 99 99 100 100 1.9-3.7 9570/9092=78...(19) HA ASP 78 - HB3 TYR 76 far 0 99 0 - 7.4-8.4 HA ASP 71 - HB3 TYR 76 far 0 73 0 - 7.7-8.5 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 8 assignments used, quality = 0.99: QG2 VAL 132 + HB2 ASP 131 OK 99 99 100 100 4.0-4.4 10518/1.8=84...(21) QG1 VAL 132 - HB2 ASP 131 far 0 100 0 - 5.6-6.5 QG1 VAL 132 - HB2 TYR 76 far 0 78 0 - 6.8-10.4 HG3 LYS 39 - HB2 TYR 76 far 0 46 0 - 6.9-9.6 HG2 LYS 39 - HB2 TYR 76 far 0 77 0 - 7.5-9.6 QG2 VAL 132 - HB2 TYR 76 far 0 74 0 - 7.8-10.5 HG2 LYS 39 - HB2 ASP 131 far 0 100 0 - 9.8-11.9 HG3 LYS 39 - HB2 ASP 131 far 0 68 0 - 9.9-11.3 Violated in 1 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 5.1-6.4 11166/3.0=85...(8) Violated in 7 structures by 0.13 A. Peak 11142 from cnoeabs.peaks (7.32, 2.76, 40.72 ppm; 6.49 A): 2 out of 4 assignments used, quality = 0.94: HZ PHE 89 + HB2 TYR 76 OK 83 83 100 100 2.2-5.2 11139/7028=90...(13) H ARG 135 + HB2 ASP 131 OK 65 69 100 95 5.2-7.3 10624/10528=74...(6) HE ARG 90 - HB2 TYR 76 far 0 71 0 - 7.4-11.7 HZ PHE 89 - HB2 ASP 131 far 0 57 0 - 9.9-11.2 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 2.2-4.4 11165/1.8=97...(12) 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 4.2-4.9 11145/2.1=78...(26) QE TYR 76 + QG2 VAL 77 OK 73 73 100 100 5.2-6.1 ~11145=57, ~11171=52...(20) Violated in 0 structures by 0.00 A. Peak 11145 from cnoeabs.peaks (6.49, 1.06, 19.25 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 76 + QG1 VAL 77 OK 97 97 100 100 4.6-5.2 11169/2.1=93...(24) QE TYR 76 - QG1 VAL 77 far 0 85 0 - 6.3-6.6 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 3.0-4.8 2.2/9677=84, 9673/2.1=68...(24) Violated in 8 structures by 0.18 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 2.4-4.4 11842=97, 11841/2.1=90...(17) QD PHE 87 - QG1 VAL 77 far 0 73 0 - 6.8-8.7 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 4.1-4.8 11171/2.1=94...(22) Violated in 0 structures by 0.00 A. Peak 11151 from cnoeabs.peaks (7.79, 1.06, 19.25 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: H GLY 75 + QG1 VAL 77 OK 100 100 100 100 3.6-4.9 3.6/11188=100...(17) 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 3 assignments used, quality = 0.97: HB3 ARG 90 + QG1 VAL 77 OK 95 100 95 100 4.2-6.0 2.9/9651=88, 2.9/9652=84...(30) HB3 LYS 86 + QG1 VAL 77 OK 44 98 45 100 5.2-6.5 9823/2.1=88, 3.0/9650=84...(31) HB ILE 37 - QG1 VAL 77 far 0 78 0 - 7.2-9.3 Violated in 7 structures by 0.08 A. Peak 11153 from cnoeabs.peaks (1.65, 1.06, 19.25 ppm; 4.12 A): 2 out of 9 assignments used, quality = 0.90: HD2 LYS 86 + QG1 VAL 77 OK 74 99 75 100 3.1-5.6 3.0/9650=64...(36) HD3 LYS 86 + QG1 VAL 77 OK 59 99 60 100 3.4-5.9 3.0/9650=64...(35) HD3 LYS 19 - QG1 VAL 77 far 0 100 0 - 6.0-29.8 HD2 LYS 19 - QG1 VAL 77 far 0 100 0 - 7.4-29.0 QB ALA 88 - QG1 VAL 77 far 0 98 0 - 7.6-8.8 HD3 LYS 24 - QG1 VAL 77 far 0 99 0 - 9.1-30.2 HB2 LEU 69 - QG1 VAL 77 far 0 89 0 - 9.1-11.4 HD2 LYS 24 - QG1 VAL 77 far 0 98 0 - 9.5-30.7 HD2 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.8-13.4 Violated in 9 structures by 0.19 A. Peak 11154 from cnoeabs.peaks (4.30, 1.06, 19.25 ppm; 4.15 A): 3 out of 4 assignments used, quality = 1.00: HA SER 74 + QG1 VAL 77 OK 99 99 100 100 2.2-4.3 9592=98, 11195/2.1=33...(17) HA TYR 76 + QG1 VAL 77 OK 92 92 100 100 4.5-5.0 3.6/7043=69, 3.0/9611=53...(23) HA2 GLY 75 + QG1 VAL 77 OK 78 81 100 97 3.0-4.8 3.5/9611=47...(13) HA ALA 16 - QG1 VAL 77 far 0 81 0 - 7.0-34.4 Violated in 0 structures by 0.00 A. Peak 11155 from cnoeabs.peaks (4.37, 1.06, 19.25 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.99: HA ASP 78 + QG1 VAL 77 OK 97 97 100 100 2.9-3.4 9695=95, 2.9/7052=82...(22) HA CYS 73 + QG1 VAL 77 OK 44 97 50 92 3.8-5.5 11789/9611=36...(14) 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 1.9-4.3 1.8/9660=89, 11875=85...(21) 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 2.0-3.0 9818=96, 3.0/9663=76...(26) HA3 GLY 75 - QG2 VAL 77 far 0 89 0 - 6.1-7.6 HB2 SER 94 - QG2 VAL 77 far 0 90 0 - 6.7-8.2 HA LEU 70 - QG2 VAL 77 far 0 100 0 - 7.6-9.8 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 1 assignment used, quality = 0.98: QG2 VAL 77 + HA ASP 78 OK 98 98 100 100 3.4-4.2 2.1/9695=99, 7053/2.9=94...(23) 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 3 assignments used, quality = 0.99: QG2 VAL 77 + HB2 ASP 78 OK 99 99 100 100 4.2-5.6 2.1/9692=100...(18) HG12 ILE 80 - HB2 ASP 78 far 4 78 5 - 7.1-9.1 QG2 THR 25 - HB2 ASP 78 far 0 100 0 - 8.6-26.7 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 4.8-5.2 2.1/9693=100...(23) HG12 ILE 32 + HB3 ASP 35 OK 25 34 80 91 5.6-10.5 2.1/10846=62, ~10802=30...(7) QG2 THR 25 - HB3 ASP 35 far 8 56 15 - 3.5-20.4 QG2 THR 25 - HB2 ASP 64 far 4 83 5 - 3.2-29.6 QB ALA 41 - HB3 ASP 35 far 2 45 5 - 5.3-10.3 HG12 ILE 80 - HB3 ASP 78 far 0 71 0 - 7.8-9.6 QG2 THR 25 - HB3 ASP 78 far 0 100 0 - 8.6-27.9 QG2 THR 18 - HB3 ASP 35 far 0 47 0 - 8.7-24.2 QG2 THR 18 - HB2 ASP 64 far 0 72 0 - 9.5-34.1 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 12 assignments used, quality = 0.48: HB VAL 63 + HB2 ASP 64 OK 48 48 100 100 4.4-5.3 ~10969=67, ~10988=67...(16) QE MET 11 - HB2 ASP 64 far 4 80 5 - 5.2-37.2 HG2 PRO 58 - HB2 ASP 64 far 0 59 0 - 6.7-8.4 HB3 GLN 27 - HB3 ASP 35 far 0 50 0 - 6.9-17.8 HB2 LEU 62 - HB2 ASP 64 far 0 80 0 - 7.1-8.5 HG2 ARG 90 - HB3 ASP 78 far 0 68 0 - 7.4-8.7 HG3 PRO 58 - HB2 ASP 64 far 0 57 0 - 8.1-9.7 HB3 GLU 40 - HB3 ASP 35 far 0 49 0 - 8.4-16.6 QE MET 11 - HB3 ASP 35 far 0 53 0 - 9.3-38.5 HB3 GLU 30 - HB3 ASP 35 far 0 27 0 - 9.6-13.7 HB3 MET 11 - HB2 ASP 64 far 0 50 0 - 9.7-43.3 HB3 GLN 27 - HB2 ASP 64 far 0 76 0 - 9.8-29.2 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 4.0-4.3 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; 5.28 A): 1 out of 1 assignment used, quality = 0.99: HB VAL 77 + HA ASP 78 OK 99 99 100 100 5.5-5.6 2.1/9695=98, 7051/2.9=93...(25) Violated in 20 structures by 0.29 A. Peak 11165 from cnoeabs.peaks (2.36, 2.51, 39.87 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.73: HB VAL 77 + HB2 ASP 78 OK 73 73 100 100 5.6-5.8 2.1/9653=93, 4.5/7055=85...(20) Violated in 20 structures by 0.16 A. Peak 11166 from cnoeabs.peaks (1.74, 2.61, 27.19 ppm; 5.08 A): 1 out of 4 assignments used, quality = 1.00: HB ILE 80 + HB3 CYS 79 OK 100 100 100 100 5.3-5.6 7073/4.4=75...(18) HB2 LYS 39 - HB3 CYS 79 far 0 78 0 - 6.7-9.7 HD3 LYS 39 - HB3 CYS 79 far 0 68 0 - 8.7-11.4 HG3 ARG 90 - HB3 CYS 79 far 0 99 0 - 9.2-11.6 Violated in 20 structures by 0.35 A. Peak 11167 from cnoeabs.peaks (1.48, 1.74, 38.49 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.99: HG3 LYS 86 + HB ILE 80 OK 99 99 100 100 2.2-4.7 1.8/9713=87...(40) HG LEU 42 - HB ILE 80 far 0 100 0 - 9.7-12.0 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 5 assignments used, quality = 1.00: HG2 PRO 81 + HA ILE 80 OK 100 100 100 100 4.3-4.5 1.8/11784=87...(22) HG2 PRO 81 - HA CYS 79 far 0 57 0 - 7.3-8.7 HG3 ARG 135 - HA ILE 80 far 0 60 0 - 8.4-12.0 HG2 ARG 90 - HA ILE 80 far 0 85 0 - 8.7-9.7 HG2 ARG 90 - HA CYS 79 far 0 43 0 - 9.9-10.8 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 8 assignments used, quality = 1.00: HD3 LYS 86 + QD1 ILE 80 OK 98 98 100 100 4.3-5.5 3.0/9720=75...(50) HD2 LYS 86 + QD1 ILE 80 OK 93 98 95 100 4.1-5.9 3.0/9720=75...(49) QB ALA 88 + QD1 ILE 80 OK 58 97 60 99 5.0-6.1 7195/9869=53...(17) HG3 ARG 84 - QD1 ILE 80 far 0 95 0 - 6.9-9.7 HG2 ARG 84 - QD1 ILE 80 far 0 95 0 - 6.9-9.4 HG LEU 43 - QD1 ILE 80 far 0 99 0 - 7.1-8.2 HD2 LYS 39 - QD1 ILE 80 far 0 63 0 - 7.8-9.3 HB2 LEU 69 - QD1 ILE 80 far 0 85 0 - 8.7-11.5 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 2.7-4.7 9725/2.1=100...(39) HA ILE 129 - HG13 ILE 80 far 0 68 0 - 7.7-9.0 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 1.9-3.8 4.0=92, 2478/3.2=50...(29) HA LYS 86 + QG2 ILE 80 OK 83 83 100 100 2.3-3.7 3.0/9821=53, 9727/3.1=52...(34) HA LEU 70 - QG2 ILE 129 far 6 60 10 - 4.7-6.4 HA ALA 46 - QG2 ILE 129 far 0 36 0 - 5.4-6.3 HA LYS 86 - QG2 ILE 129 far 0 51 0 - 6.3-7.2 HD2 PRO 81 - QG2 ILE 129 far 0 57 0 - 7.3-9.8 HB2 SER 50 - QG2 ILE 129 far 0 33 0 - 8.2-10.6 HA GLU 40 - QG2 ILE 129 far 0 40 0 - 8.3-10.2 HA LEU 123 - QG2 ILE 129 far 0 51 0 - 8.5-9.8 HB3 SER 50 - QG2 ILE 129 far 0 49 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 11172 from cnoeabs.peaks (2.82, 0.81, 17.22 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: HB3 ASN 85 + QG2 ILE 80 OK 100 100 100 100 1.9-3.9 1.8/11237=94...(22) HB3 ASN 85 - QG2 ILE 129 far 0 69 0 - 6.2-7.9 HB3 ASP 47 - QG2 ILE 129 far 0 45 0 - 8.3-9.8 HB3 ASP 71 - QG2 ILE 129 far 0 69 0 - 8.4-10.6 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 1.9-4.2 1.8/11236=92, 9791=54...(24) HB2 ASN 85 - QG2 ILE 129 far 0 65 0 - 6.2-8.6 Violated in 1 structures by 0.00 A. Peak 11174 from cnoeabs.peaks (1.94, 0.81, 17.22 ppm; 4.92 A): 2 out of 10 assignments used, quality = 1.00: HB3 PRO 81 + QG2 ILE 80 OK 99 99 100 100 4.2-4.7 1.8/11281=77...(35) HB3 LYS 86 + QG2 ILE 80 OK 87 87 100 100 2.5-4.2 1.8/9821=91, 9721/3.1=71...(42) HB2 ARG 90 - QG2 ILE 129 far 0 44 0 - 6.5-7.7 HB3 ARG 90 - QG2 ILE 129 far 0 60 0 - 6.8-7.9 HB2 LYS 95 - QG2 ILE 129 far 0 70 0 - 7.3-8.8 HB2 ARG 90 - QG2 ILE 80 far 0 73 0 - 7.4-9.2 HB3 ARG 90 - QG2 ILE 80 far 0 93 0 - 7.8-9.5 HB3 LYS 95 - QG2 ILE 129 far 0 69 0 - 8.3-10.0 HB3 LEU 49 - QG2 ILE 129 far 0 49 0 - 8.4-10.0 HB3 LYS 86 - QG2 ILE 129 far 0 54 0 - 8.8-9.6 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 15 assignments used, quality = 1.00: HD2 LYS 86 + QG2 ILE 80 OK 100 100 100 100 2.9-4.7 3.0/11877=65...(52) HD3 LYS 86 + QG2 ILE 80 OK 100 100 100 100 3.6-4.5 3.0/11877=65...(55) HB2 LEU 69 + QG2 ILE 129 OK 46 68 70 96 4.1-7.4 ~11713=36, ~11070=35...(15) HG2 ARG 84 - QG2 ILE 80 far 7 65 10 - 5.0-7.7 HG LEU 43 - QG2 ILE 129 far 5 49 10 - 5.0-7.0 QB ALA 88 - QG2 ILE 129 far 3 69 5 - 5.4-6.6 QB ALA 88 - QG2 ILE 80 far 0 100 0 - 5.5-6.5 HG3 ARG 84 - QG2 ILE 80 far 0 65 0 - 5.8-7.7 HD2 LYS 95 - QG2 ILE 129 far 0 64 0 - 7.8-10.6 HG LEU 43 - QG2 ILE 80 far 0 81 0 - 7.9-10.3 HD2 LYS 39 - QG2 ILE 129 far 0 60 0 - 7.9-10.2 HD3 LYS 95 - QG2 ILE 129 far 0 68 0 - 8.0-11.0 HD2 LYS 39 - QG2 ILE 80 far 0 93 0 - 8.0-9.8 HD2 LYS 86 - QG2 ILE 129 far 0 68 0 - 9.3-10.5 HD3 LYS 86 - QG2 ILE 129 far 0 68 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11176 from cnoeabs.peaks (1.40, 0.81, 17.22 ppm; 4.70 A): 3 out of 12 assignments used, quality = 0.96: HG2 LYS 86 + QG2 ILE 80 OK 90 90 100 100 2.3-3.5 3.0/9821=73, 9713/2.1=66...(38) QB ALA 92 + QG2 ILE 129 OK 42 42 100 100 3.5-4.5 10491/4163=68, 9946=56...(31) HB2 LEU 42 + QG2 ILE 129 OK 33 40 90 93 4.5-5.7 3.1/10486=61...(7) HG LEU 96 - QG2 ILE 129 poor 13 67 20 - 5.3-7.2 HB2 LEU 96 - QG2 ILE 129 far 4 44 10 - 4.8-7.0 HG2 LYS 86 - QG2 ILE 129 far 0 57 0 - 7.4-8.3 HG2 LYS 95 - QG2 ILE 129 far 0 55 0 - 7.4-10.8 HB2 LEU 42 - QG2 ILE 80 far 0 68 0 - 8.0-10.0 QB ALA 92 - QG2 ILE 80 far 0 71 0 - 8.2-9.2 HG3 LYS 95 - QG2 ILE 129 far 0 52 0 - 8.4-11.2 HB3 LEU 100 - QG2 ILE 129 far 0 42 0 - 9.0-10.9 QB ALA 34 - QG2 ILE 80 far 0 93 0 - 9.4-12.9 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 2.0-3.8 4.0=100 HA ALA 92 - QG2 ILE 129 far 0 69 0 - 6.0-7.2 HB2 SER 74 - QG2 ILE 129 far 0 54 0 - 6.9-8.7 HA LEU 96 - QG2 ILE 129 far 0 66 0 - 7.0-8.6 HB3 SER 74 - QG2 ILE 129 far 0 52 0 - 7.7-8.8 HD3 PRO 81 - QG2 ILE 129 far 0 62 0 - 7.7-10.6 HA ILE 37 - QG2 ILE 129 far 0 35 0 - 7.8-10.6 HA LEU 122 - QG2 ILE 129 far 0 70 0 - 8.1-9.3 HA GLU 44 - QG2 ILE 129 far 0 69 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 11178 from cnoeabs.peaks (4.04, 0.27, 13.24 ppm; 5.41 A): 1 out of 7 assignments used, quality = 1.00: HD3 PRO 81 + QD1 ILE 80 OK 100 100 100 100 3.6-5.8 3.8/2472=86, 4.8/7077=71...(32) HA ARG 135 - QD1 ILE 80 far 0 81 0 - 7.9-9.4 HB2 SER 74 - QD1 ILE 80 far 0 60 0 - 8.0-9.7 HB3 SER 74 - QD1 ILE 80 far 0 57 0 - 8.2-9.4 HA ILE 37 - QD1 ILE 80 far 0 87 0 - 9.0-10.4 HA ALA 92 - QD1 ILE 80 far 0 98 0 - 9.0-9.9 HB2 SER 38 - QD1 ILE 80 far 0 73 0 - 9.4-10.4 Violated in 4 structures by 0.05 A. Peak 11179 from cnoeabs.peaks (1.33, 0.82, 16.92 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.89: QB ALA 46 + QG2 ILE 129 OK 89 92 100 97 3.4-4.2 9177/10486=60...(13) QB ALA 46 - QG2 ILE 80 far 0 58 0 - 9.3-10.8 Violated in 0 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 5.6-5.9 10441=87, 4.2/7870=84...(9) H ALA 88 + QG2 ILE 80 OK 59 62 100 95 5.7-6.5 7175/9753=61, ~9863=49...(12) H ALA 88 - QG2 ILE 129 far 0 96 0 - 7.3-8.5 H GLN 68 - QG2 ILE 129 far 0 99 0 - 8.3-10.6 H ALA 41 - QG2 ILE 129 far 0 81 0 - 8.7-9.9 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 4.2-5.4 3.0/9726=94...(20) H PHE 87 + QD1 ILE 80 OK 89 89 100 100 5.0-5.6 3.6/9727=90, 4.6/9721=69...(17) H GLU 91 - QD1 ILE 80 far 5 99 5 - 6.2-7.0 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 3.5-4.2 2.9/9727=98, 4.0/9721=80...(26) H TYR 72 - QD1 ILE 80 far 0 68 0 - 8.8-9.7 H GLU 44 - QD1 ILE 80 far 0 92 0 - 9.9-11.4 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 4.2-5.0 11865/9649=69...(17) H ALA 46 - QD1 ILE 80 far 0 78 0 - 9.8-11.4 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 3.9-4.7 4.2/9747=71...(18) H LYS 39 - QD1 ILE 80 far 0 68 0 - 7.2-8.7 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 2.0-3.8 4.0=100 HG13 ILE 80 + HD3 PRO 81 OK 95 96 100 100 2.3-5.0 2.1/11178=49, ~11248=38...(30) QG1 VAL 133 + HD3 PRO 81 OK 46 71 70 94 2.2-9.0 ~11757=51, 10574/2.3=44...(12) QG2 ILE 129 - HD3 PRO 81 far 0 97 0 - 7.7-10.6 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 1.9-3.8 4.0=100 HG13 ILE 80 + HD2 PRO 81 OK 95 96 100 100 2.4-4.9 4.1/2478=53...(32) QG1 VAL 133 + HD2 PRO 81 OK 44 71 70 88 2.4-8.1 2.1/11757=47...(12) QD2 LEU 119 - HD2 PRO 117 far 0 84 0 - 5.1-8.0 QG2 ILE 129 - HD2 PRO 81 far 0 97 0 - 7.3-9.8 QD2 LEU 122 - HD2 PRO 117 far 0 58 0 - 8.3-11.6 QD1 LEU 122 - HD2 PRO 117 far 0 89 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 11189 from cnoeabs.peaks (7.55, 4.04, 51.18 ppm; 5.72 A): 1 out of 2 assignments used, quality = 0.99: H GLN 82 + HD3 PRO 81 OK 99 99 100 100 2.8-3.9 11914/2.3=96...(9) H VAL 77 - HD3 PRO 81 far 0 99 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 11190 from cnoeabs.peaks (7.54, 3.85, 51.18 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.94: H GLN 82 + HD2 PRO 81 OK 88 89 100 100 2.7-4.3 11914/2.3=86...(9) H LEU 119 + HD2 PRO 117 OK 48 90 55 98 5.7-6.7 7643/7637=63...(7) H VAL 77 - HD2 PRO 81 far 0 100 0 - 8.0-9.2 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 3.9-4.0 3.0=100 HB3 LYS 86 - HD3 PRO 81 far 0 98 0 - 6.6-9.4 HB ILE 37 - HD3 PRO 81 far 0 78 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 11192 from cnoeabs.peaks (2.25, 4.04, 51.18 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 3.0-3.9 3.0=100 HB VAL 132 - HD3 PRO 81 far 0 71 0 - 6.5-10.8 Violated in 0 structures by 0.00 A. Peak 11193 from cnoeabs.peaks (1.95, 3.85, 51.18 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 LYS 86 - HD2 PRO 81 far 0 98 0 - 7.1-9.1 HB ILE 37 - HD2 PRO 81 far 0 78 0 - 8.9-12.0 HG2 PRO 113 - HD2 PRO 117 far 0 80 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 11194 from cnoeabs.peaks (2.25, 3.85, 51.18 ppm; 4.91 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 3.0-3.9 3.0=100 HB VAL 132 - HD2 PRO 81 far 0 71 0 - 6.1-9.8 HB3 GLU 102 - HD2 PRO 117 far 0 56 0 - 8.2-11.4 HB3 PRO 113 - HD2 PRO 117 far 0 71 0 - 8.5-12.6 Violated in 0 structures by 0.00 A. Peak 11195 from cnoeabs.peaks (0.83, 2.05, 27.30 ppm; 5.13 A): 4 out of 13 assignments used, quality = 1.00: QG2 ILE 80 + HG3 PRO 81 OK 94 94 100 100 3.1-4.6 11281/2.3=73...(27) HG13 ILE 80 + HG3 PRO 81 OK 80 100 80 100 4.6-6.7 4.1/11784=52, ~11178=50...(29) QG1 VAL 133 + HG3 PRO 81 OK 68 97 70 100 2.1-9.6 10574=95, ~11757=62...(15) QG1 VAL 133 + HG3 ARG 135 OK 29 61 55 87 5.0-7.9 10633/5.0=41...(10) QD2 LEU 119 - HG2 PRO 117 poor 17 67 25 - 5.4-8.5 QG2 ILE 80 - HG3 ARG 135 far 9 57 15 - 5.2-8.8 QD2 LEU 119 - HG3 PRO 117 far 7 68 10 - 5.9-9.2 QD2 LEU 119 - HG3 PRO 113 far 3 51 5 - 5.8-9.3 HG13 ILE 80 - HG3 ARG 135 far 0 65 0 - 6.3-9.6 QG2 ILE 129 - HG3 ARG 135 far 0 64 0 - 6.7-9.5 QD1 LEU 122 - HG2 PRO 117 far 0 82 0 - 7.3-9.7 QG2 ILE 129 - HG3 PRO 81 far 0 100 0 - 8.5-11.5 QD1 LEU 122 - HG3 PRO 117 far 0 83 0 - 8.8-11.1 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 = 0.98: * HA GLN 82 + HG3 GLN 82 OK 89 100 100 89 2.1-3.7 4.1=55, 11299/1.8=36...(9) HA GLN 82 + HG2 GLN 82 OK 83 94 100 89 2.4-4.2 4.1=55, 11299/1.8=36...(9) HA VAL 57 - HG2 GLU 55 far 0 63 0 - 6.0-8.7 Violated in 1 structures by 0.00 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 2.5-2.9 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 4 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 57 + HB3 GLN 61 OK 76 80 95 100 4.4-6.5 3.2/9378=41, ~9377=41...(35) HA VAL 57 + HB2 GLN 61 OK 73 85 85 100 4.8-6.2 ~9377=41, ~10936=41...(37) HA HIS 3 - HB2 GLU 102 far 0 71 0 - 9.6-70.5 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 2.2-3.0 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 83 83 100 100 2.4-3.0 2.9=100 HG3 GLU 97 + HB3 GLU 97 OK 73 73 100 100 2.3-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 97 poor 12 75 35 44 3.6-6.8 3112/3.0=11, 3306/3156=9...(10) 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 2.4-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 83 83 100 100 2.3-3.0 2.9=100 HG3 GLN 61 + HB2 GLN 61 OK 74 74 100 100 2.2-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 68 68 100 100 2.2-2.8 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 27 79 60 57 3.0-7.8 7450/7455=44, 4101/1.8=7...(7) HB3 PRO 58 - HB2 GLN 61 far 4 70 5 - 4.7-6.1 HB3 PRO 58 - HB3 GLN 61 far 0 65 0 - 4.9-7.4 HG3 GLU 97 - HB2 GLU 102 far 0 77 0 - 7.9-12.6 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 - 8.0-11.0 HB VAL 126 - HB3 GLU 97 far 0 74 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 11218 from cnoeabs.peaks (2.20, 2.09, 28.77 ppm; 3.18 A): 3 out of 14 assignments used, quality = 1.00: HB2 GLN 82 + HB3 GLN 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 102 + HB2 GLU 102 OK 46 46 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 34 34 100 100 1.8-1.8 1.8=100 HG2 GLU 91 - HB2 GLU 128 far 0 31 0 - 4.4-7.9 HB3 GLN 127 - HB2 GLU 128 far 0 32 0 - 4.5-6.4 HB2 GLN 101 - HB2 GLU 102 far 0 81 0 - 5.1-7.2 HB VAL 133 - HB3 GLN 82 far 0 96 0 - 6.8-11.6 HB3 GLN 104 - HB2 GLU 102 far 0 61 0 - 6.9-9.3 HB2 GLN 104 - HB2 GLU 102 far 0 72 0 - 7.7-9.1 HB3 GLU 97 - HB2 GLU 102 far 0 71 0 - 8.0-11.0 HB3 GLN 104 - HB3 GLN 61 far 0 61 0 - 9.5-11.4 HG2 GLN 68 - HB3 GLN 61 far 0 42 0 - 9.5-13.4 HB VAL 133 - HB2 GLU 128 far 0 47 0 - 9.8-12.0 HB2 GLN 104 - HB3 GLN 61 far 0 73 0 - 9.9-13.1 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 = 0.85: * H THR 83 + HG3 GLN 82 OK 67 100 85 79 3.6-5.4 3.6/11287=38...(7) H THR 83 + HG2 GLN 82 OK 54 94 75 77 3.9-5.5 3.6/11287=35...(7) Violated in 1 structures by 0.01 A. Peak 11224 from cnoeabs.peaks (8.88, 2.09, 28.77 ppm; 5.63 A): 3 out of 5 assignments used, quality = 1.00: * H THR 83 + HB3 GLN 82 OK 100 100 100 100 4.0-4.6 4.5=100 H ASN 59 + HB2 GLN 61 OK 60 81 90 83 5.7-6.9 6748/4.0=40, 6722/4.6=28...(8) H ASN 59 + HB3 GLN 61 OK 56 75 95 79 5.1-7.5 6748/4.0=40, 6722/4.6=28...(8) H GLY 66 - HB3 GLN 61 far 0 63 0 - 6.5-8.2 H GLY 66 - HB2 GLN 61 far 0 68 0 - 7.0-8.8 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 3.3-4.6 4.5=100 H GLY 66 - HB3 GLU 97 far 0 59 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 11226 from cnoeabs.peaks (7.25, 2.45, 33.62 ppm; 3.87 A): 2 out of 8 assignments used, quality = 0.78: HD21 ASN 85 + HG2 GLN 82 OK 60 92 65 100 2.7-5.8 9797/2.9=48, 9798/2.9=41...(21) HD21 ASN 85 + HG3 GLN 82 OK 45 99 45 100 3.2-5.6 9797/2.9=48, 9798/2.9=41...(21) H ASN 85 - HG2 GLN 82 poor 17 81 25 86 3.2-5.6 11276/2.9=30...(13) H ASN 85 - HG3 GLN 82 far 14 90 15 - 2.8-5.7 HE ARG 84 - HG3 GLN 82 far 5 100 5 - 4.1-10.2 HE ARG 84 - HG2 GLN 82 far 5 94 5 - 2.6-9.6 QE PHE 87 - HG3 GLN 82 far 0 87 0 - 9.1-13.4 QE PHE 87 - HG2 GLN 82 far 0 77 0 - 9.9-13.0 Violated in 12 structures by 0.25 A. Peak 11227 from cnoeabs.peaks (7.55, 2.45, 33.62 ppm; 3.53 A): 3 out of 4 assignments used, quality = 0.96: H GLN 82 + HG3 GLN 82 OK 91 100 100 91 2.5-4.4 5.1=33, 9742/11262=32...(10) H GLN 82 + HG2 GLN 82 OK 45 94 55 88 3.6-4.9 5.1=33, 3.0/11287=29...(10) H THR 54 + HG2 GLU 55 OK 26 64 50 81 3.1-5.2 6687/6694=39, 9268=32...(6) HE22 GLN 61 - HG2 GLU 55 far 0 63 0 - 5.6-10.7 Violated in 6 structures by 0.05 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 3.7-5.0 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 2.7-5.2 9778=96, 11198/1.8=91...(10) 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 = 0.99: H ARG 84 + HG2 GLN 82 OK 89 89 100 100 3.2-5.4 9778/2.9=75...(13) H ARG 84 + HG3 GLN 82 OK 87 97 90 100 4.4-5.9 9778/2.9=75...(12) 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 6 assignments used, quality = 0.81: H GLU 102 + HB2 GLU 102 OK 68 68 100 100 2.2-3.4 3.8=100 H GLU 128 + HB2 GLU 128 OK 41 41 100 100 2.1-3.1 3.6=100 H GLN 104 - HB2 GLU 102 far 4 42 10 - 4.8-6.7 H ALA 88 - HB3 GLN 82 far 0 98 0 - 7.5-9.9 H ALA 88 - HB2 GLU 128 far 0 50 0 - 8.6-11.4 H GLN 68 - HB3 GLN 61 far 0 81 0 - 9.8-11.7 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 11 assignments used, quality = 0.99: HD22 ASN 85 + HB3 GLN 82 OK 97 97 100 100 2.0-4.7 9805=94, 11238/1.8=77...(20) H LEU 103 + HB2 GLU 102 OK 76 76 100 100 2.9-4.2 4.6=100 H ALA 108 - HB2 GLU 102 far 0 75 0 - 5.6-10.9 H THR 25 - HB2 GLN 61 far 0 81 0 - 6.2-38.4 H PHE 87 - HB3 GLN 82 far 0 73 0 - 6.7-8.6 H THR 25 - HB3 GLN 61 far 0 75 0 - 7.9-39.5 H ALA 109 - HB2 GLU 102 far 0 77 0 - 7.9-13.1 H ASN 121 - HB2 GLU 102 far 0 42 0 - 8.0-10.8 H ASN 120 - HB2 GLU 102 far 0 69 0 - 8.6-11.8 H ALA 109 - HB3 GLN 61 far 0 78 0 - 9.2-15.6 H ALA 109 - HB2 GLN 61 far 0 83 0 - 9.9-13.9 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 8 assignments used, quality = 0.99: H GLN 82 + HB3 GLN 82 OK 90 90 100 100 2.1-3.2 4.0=100 HE22 GLN 61 + HB2 GLN 61 OK 66 66 100 100 2.2-4.9 4.4=100 HE22 GLN 61 + HB3 GLN 61 OK 61 61 100 100 1.9-5.4 4.4=100 H LEU 119 - HB2 GLU 102 far 0 81 0 - 6.7-10.1 H THR 54 - HB3 GLN 61 far 0 77 0 - 8.5-11.0 H THR 54 - HB2 GLN 61 far 0 82 0 - 8.5-12.1 H LEU 119 - HB3 GLN 61 far 0 81 0 - 9.6-11.6 H LEU 119 - HB2 GLN 61 far 0 87 0 - 9.9-13.2 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 = 0.93: H ASN 85 + HB3 GLN 82 OK 93 96 100 98 2.6-4.7 11276=54, 11277/1.8=52...(11) HE ARG 84 - HB3 GLN 82 far 3 63 5 - 3.5-9.2 H ARG 135 - HB3 GLN 82 far 0 63 0 - 5.4-10.6 HZ PHE 89 - HB2 GLU 128 far 0 37 0 - 8.7-11.1 H ARG 135 - HB2 GLU 128 far 0 27 0 - 9.8-11.7 QE PHE 87 - HB3 GLN 82 far 0 97 0 - 10.0-13.0 Violated in 1 structures by 0.01 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 2.5-4.2 11234/1.8=76, 11277=62...(13) HD21 ASN 85 + HB2 GLN 82 OK 73 73 100 100 2.2-4.9 1.7/11238=76, ~9805=62...(18) HE ARG 84 - HB2 GLN 82 poor 10 87 25 44 2.0-9.0 6.7/9778=27...(3) QE PHE 87 - HB2 GLN 82 far 0 100 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 11236 from cnoeabs.peaks (7.56, 2.20, 28.77 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: H GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.1-3.7 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 5 assignments used, quality = 0.00: H GLU 102 - HB3 GLU 97 far 0 51 0 - 6.3-8.6 H ALA 88 - HB2 GLN 82 far 0 90 0 - 7.6-9.1 H GLN 68 - HB3 GLU 97 far 0 72 0 - 8.1-11.5 H GLN 104 - HB3 GLU 97 far 0 53 0 - 8.5-10.6 H SER 106 - HB3 GLU 97 far 0 50 0 - 9.6-13.7 Violated in 20 structures by 2.13 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 2.8-4.7 1.7/9797=82, 9805/1.8=78...(15) H PHE 87 - HB2 GLN 82 far 0 83 0 - 6.7-8.2 H LEU 103 - HB3 GLU 97 far 0 67 0 - 7.9-10.2 Violated in 1 structures by 0.00 A. Peak 11239 from cnoeabs.peaks (8.09, 2.45, 33.62 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.94: HD22 ASN 85 + HG2 GLN 82 OK 84 94 90 100 2.4-5.7 9805/2.9=60...(21) HD22 ASN 85 + HG3 GLN 82 OK 65 100 65 100 2.6-5.7 9805/2.9=60...(19) Violated in 8 structures by 0.09 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 3.5-4.5 4.2/9776=75...(14) HD22 ASN 85 - QG2 THR 83 far 0 63 0 - 7.0-8.4 H GLU 91 - QG2 THR 83 far 0 92 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 11241 from cnoeabs.peaks (8.34, 1.24, 22.04 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: H LYS 86 + QG2 THR 83 OK 100 100 100 100 3.9-4.2 4.0/11312=68...(12) 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 3 assignments used, quality = 0.99: HG2 GLN 82 + HA GLN 82 OK 93 100 100 93 2.4-4.2 4.1=64, 1.8/11287=42...(9) HG3 GLN 82 + HA GLN 82 OK 92 99 100 93 2.1-3.7 4.1=64, 1.8/11287=40...(10) HG2 GLN 101 - HA HIS 3 far 0 32 0 - 9.1-68.0 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 2 assignments used, quality = 1.00: HB2 GLN 82 + HA GLN 82 OK 100 100 100 100 2.5-2.9 3.0=100 HB VAL 133 - HA GLN 82 far 0 96 0 - 8.4-12.4 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 2 assignments used, quality = 1.00: HB3 GLN 82 + HA GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 102 - HA HIS 3 far 0 41 0 - 9.6-70.5 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 4.7-4.9 4.8=100 HE21 GLN 82 + HD2 PRO 81 OK 46 71 65 100 4.7-8.3 ~11247=79, ~11246=69...(10) Violated in 0 structures by 0.00 A. Peak 11262 from cnoeabs.peaks (0.82, 2.45, 33.62 ppm; 4.33 A): 1 out of 11 assignments used, quality = 0.74: QG2 ILE 80 + HG3 GLN 82 OK 74 100 80 93 2.2-5.5 11263/2.9=48, 9715=45...(12) QG2 ILE 80 - HG2 GLN 82 far 14 93 15 - 3.5-6.1 QD1 LEU 53 - HG2 GLU 55 far 0 38 0 - 5.4-8.9 QD2 LEU 119 - HG2 GLU 55 far 0 50 0 - 5.5-11.8 HG13 ILE 80 - HG3 GLN 82 far 0 100 0 - 6.2-10.0 QG1 VAL 133 - HG3 GLN 82 far 0 87 0 - 6.9-11.8 HG13 ILE 80 - HG2 GLN 82 far 0 93 0 - 7.4-10.0 QG1 VAL 133 - HG2 GLN 82 far 0 77 0 - 8.0-11.4 QD1 LEU 122 - HG2 GLU 55 far 0 58 0 - 8.4-13.0 QD2 LEU 49 - HG2 GLU 55 far 0 43 0 - 8.4-12.1 QG2 ILE 129 - HG3 GLN 82 far 0 100 0 - 10.0-12.9 Violated in 19 structures by 0.71 A. Peak 11263 from cnoeabs.peaks (0.82, 2.09, 28.77 ppm; 4.34 A): 2 out of 19 assignments used, quality = 0.93: QG2 ILE 80 + HB3 GLN 82 OK 91 96 100 95 3.1-4.2 11262/2.9=62...(13) HG13 ILE 80 + HB3 GLN 82 OK 25 100 30 84 4.8-8.6 ~11262=30, 11261/4.0=21...(13) QD1 LEU 122 - HB2 GLU 102 far 3 63 5 - 4.7-9.5 QG2 ILE 129 - HB2 GLU 128 far 0 53 0 - 5.3-6.4 QD2 LEU 119 - HB3 GLN 61 far 0 51 0 - 5.6-10.1 QD2 LEU 119 - HB2 GLN 61 far 0 55 0 - 5.7-11.5 QG1 VAL 133 - HB3 GLN 82 far 0 97 0 - 5.7-10.7 QD2 LEU 49 - HB3 GLN 61 far 0 42 0 - 6.1-9.1 QD2 LEU 119 - HB2 GLU 102 far 0 51 0 - 6.5-11.0 QG1 VAL 133 - HB2 GLU 128 far 0 48 0 - 6.6-10.7 QD2 LEU 49 - HB2 GLN 61 far 0 46 0 - 6.7-9.7 QD1 LEU 122 - HB3 GLN 61 far 0 63 0 - 7.1-9.8 QD1 LEU 122 - HB2 GLU 128 far 0 39 0 - 8.0-10.7 QD2 LEU 49 - HB2 GLU 128 far 0 26 0 - 8.1-10.3 QD1 LEU 70 - HB2 GLU 102 far 0 79 0 - 8.1-11.2 QD1 LEU 122 - HB2 GLN 61 far 0 68 0 - 8.2-10.7 QD2 LEU 49 - HB2 GLU 102 far 0 42 0 - 9.6-12.2 QG2 ILE 129 - HB3 GLN 82 far 0 100 0 - 9.8-12.4 QD1 LEU 70 - HB2 GLU 128 far 0 51 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 11264 from cnoeabs.peaks (1.95, 4.60, 55.56 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.97: HB3 PRO 81 + HA GLN 82 OK 97 98 100 99 3.9-4.4 5.0=81, ~11914=42...(14) HB3 LYS 86 - HA GLN 82 far 0 100 0 - 6.1-7.7 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 = 0.99: H GLN 82 + HG3 PRO 81 OK 98 98 100 100 1.8-3.7 11914/1.8=88, 11259=55...(11) H LEU 119 + HG2 PRO 117 OK 49 99 55 89 5.3-6.5 10286/3.8=50...(8) H LEU 119 - HG3 PRO 117 far 0 100 0 - 6.5-7.6 H GLN 82 - HG3 ARG 135 far 0 61 0 - 6.9-10.0 H LEU 119 - HG3 PRO 113 far 0 83 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 11267 from cnoeabs.peaks (1.79, 1.24, 22.04 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: HB2 LYS 86 + QG2 THR 83 OK 100 100 100 100 3.0-4.1 1.8/9760=75...(19) HB2 ARG 84 - QG2 THR 83 far 0 87 0 - 4.9-6.0 HB3 ARG 135 - QG2 THR 83 far 0 65 0 - 9.7-11.4 Violated in 6 structures by 0.02 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 4.6-5.6 9757=94, 7088/7091=90...(14) Violated in 9 structures by 0.11 A. Peak 11273 from cnoeabs.peaks (4.16, 1.90, 29.31 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: HB THR 83 + HB3 ARG 84 OK 100 100 100 100 4.2-5.4 7088/7092=87...(13) Violated in 3 structures by 0.05 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 3.9-4.2 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 1 assignment used, quality = 0.00: HD3 PRO 81 - HA ARG 84 far 0 73 0 - 9.1-11.5 Violated in 20 structures by 5.49 A. Peak 11278 from cnoeabs.peaks (1.64, 2.82, 37.63 ppm; 5.73 A): 3 out of 6 assignments used, quality = 0.89: QB ALA 88 + HB3 ASN 85 OK 73 73 100 99 4.2-5.7 9788/1.8=67, 2750/3.0=62...(9) HG3 ARG 84 + HB3 ASN 85 OK 42 100 45 93 5.0-8.0 ~11320=37, ~9807=18...(20) HG2 ARG 84 + HB3 ASN 85 OK 28 100 30 93 4.2-8.1 ~11320=37, ~9807=18...(22) HD2 LYS 86 - HB3 ASN 85 poor 16 78 20 - 6.3-8.2 HD3 LYS 86 - HB3 ASN 85 far 8 78 10 - 6.4-8.6 HG LEU 43 - HB3 ASN 85 far 0 99 0 - 9.0-11.6 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 3.5-4.4 9747/9727=99...(14) HE ARG 135 - HA LYS 86 far 0 99 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 11281 from cnoeabs.peaks (8.79, 3.89, 60.84 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 11282 from cnoeabs.peaks (0.82, 1.95, 32.72 ppm; 5.09 A): 4 out of 16 assignments used, quality = 1.00: QG2 ILE 80 + HB3 LYS 86 OK 99 99 100 100 2.5-4.2 9821/1.8=88, 3.1/9721=80...(42) QG2 ILE 80 + HB3 PRO 81 OK 86 86 100 100 4.2-4.7 11281/1.8=81...(32) HG13 ILE 80 + HB3 LYS 86 OK 70 100 70 100 4.4-6.9 2.1/9721=92, ~9822=62...(39) QG1 VAL 133 + HB3 PRO 81 OK 21 72 30 97 4.4-11.4 10574/2.3=75, ~11757=53...(10) HG13 ILE 80 - HB3 PRO 81 far 4 87 5 - 5.8-8.1 QD1 LEU 122 - HB3 LYS 95 far 0 36 0 - 6.8-9.0 QD1 LEU 70 - HB2 LYS 95 far 0 34 0 - 7.2-9.2 QD1 LEU 122 - HB2 LYS 95 far 0 29 0 - 7.3-9.7 QG2 ILE 129 - HB2 LYS 95 far 0 34 0 - 7.3-8.8 QG1 VAL 133 - HB3 LYS 86 far 0 89 0 - 7.5-9.9 QD1 LEU 70 - HB3 LYS 95 far 0 42 0 - 7.9-9.7 QG2 ILE 129 - HB3 LYS 95 far 0 41 0 - 8.3-10.0 QG2 ILE 129 - HB3 LYS 86 far 0 100 0 - 8.8-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 26 0 - 8.9-11.2 QD2 LEU 49 - HB2 LYS 95 far 0 21 0 - 9.2-11.5 QD1 LEU 53 - HB3 LYS 95 far 0 23 0 - 9.3-12.7 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 12 assignments used, quality = 1.00: QG2 ILE 80 + HD2 LYS 86 OK 98 98 100 100 2.9-4.7 11877/3.0=50, 11241=49...(52) QG2 ILE 80 + HD3 LYS 86 OK 98 98 100 100 3.6-4.5 11877/3.0=50, 11241=48...(53) QG1 VAL 133 + HD2 LYS 39 OK 25 51 50 99 3.4-6.6 11768/1.8=39, 10572=35...(21) HG13 ILE 80 - HD2 LYS 86 far 0 100 0 - 5.0-7.1 HG13 ILE 80 - HD3 LYS 86 far 0 100 0 - 5.6-7.1 QG1 VAL 133 - HD2 LYS 86 far 0 93 0 - 7.6-10.7 QG2 ILE 129 - HD2 LYS 39 far 0 60 0 - 7.9-10.2 QG2 ILE 80 - HD2 LYS 39 far 0 56 0 - 8.0-9.8 QG1 VAL 133 - HD3 LYS 86 far 0 93 0 - 8.3-11.0 HG13 ILE 80 - HD2 LYS 39 far 0 60 0 - 9.0-10.4 QG2 ILE 129 - HD2 LYS 86 far 0 100 0 - 9.3-10.5 QG2 ILE 129 - HD3 LYS 86 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11284 from cnoeabs.peaks (1.07, 1.66, 29.87 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.97: QG1 VAL 77 + HD2 LYS 86 OK 91 96 95 100 3.1-5.6 11180=93, 9650/3.0=67...(36) QG1 VAL 77 + HD3 LYS 86 OK 67 96 70 100 3.4-5.9 11180/1.8=86...(36) Violated in 6 structures by 0.08 A. Peak 11285 from cnoeabs.peaks (1.18, 1.66, 29.87 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: QG2 VAL 77 + HD3 LYS 86 OK 100 100 100 100 2.4-4.2 11182/3.0=73...(37) QG2 VAL 77 + HD2 LYS 86 OK 100 100 100 100 3.1-4.2 2.1/11180=81...(36) HG3 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.2-3.0 3.0=100 QB ALA 41 - HD2 LYS 39 far 0 58 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 11286 from cnoeabs.peaks (1.17, 1.47, 25.00 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 77 + HG3 LYS 86 OK 95 95 100 100 1.9-4.0 11742/1.8=87...(29) QB ALA 41 + HG3 LYS 36 OK 51 94 85 63 2.6-5.7 10904/6407=45...(5) HG12 ILE 32 - HG3 LYS 36 far 9 92 10 - 4.1-11.8 QG2 THR 25 - HG3 LYS 36 far 0 75 0 - 8.0-18.5 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 6 assignments used, quality = 1.00: HA THR 83 + HD3 LYS 86 OK 100 100 100 100 2.5-5.1 2636/3.5=74, 2624/3.5=73...(18) HA THR 83 + HD2 LYS 86 OK 100 100 100 100 3.0-5.2 2636/3.5=74, 2624/3.5=73...(19) HA VAL 133 - HD2 LYS 39 far 0 42 0 - 6.3-8.6 HB3 SER 130 - HD2 LYS 39 far 0 31 0 - 8.1-11.0 HA VAL 133 - HD2 LYS 86 far 0 81 0 - 8.8-10.8 HA VAL 133 - HD3 LYS 86 far 0 81 0 - 9.3-10.8 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 2 assignments used, quality = 0.97: HB2 LYS 86 + HA PHE 87 OK 97 97 100 100 3.8-5.5 7156/2.9=97, ~7157=93...(17) HB2 ARG 84 - HA PHE 87 far 0 71 0 - 7.9-8.8 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 4.5-5.7 1.8/9833=89, 7156/4.0=72...(10) HB2 ARG 84 + HB2 PHE 87 OK 37 71 55 95 5.1-6.7 3.0/2532=42, ~2531=26...(19) HB2 LYS 86 - HB3 PHE 87 poor 19 95 20 - 5.7-6.9 HB2 ARG 84 - HB3 PHE 87 far 0 69 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 11290 from cnoeabs.peaks (7.06, 1.66, 18.14 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 89 + QB ALA 88 OK 97 97 100 100 4.7-5.5 3.1/11362=85...(15) HE ARG 135 - QB ALA 88 poor 20 100 20 - 5.0-8.0 Violated in 2 structures by 0.01 A. Peak 11291 from cnoeabs.peaks (6.93, 1.66, 18.14 ppm; 5.52 A): 0 out of 2 assignments used, quality = 0.00: HE21 GLN 82 - QB ALA 88 far 0 100 0 - 7.8-11.1 H ILE 80 - QB ALA 88 far 0 78 0 - 9.2-10.2 Violated in 20 structures by 2.84 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 6.3-6.6 11290/2.1=89, ~11362=84...(8) HZ PHE 87 - HA ALA 88 far 0 60 0 - 7.7-9.7 HE ARG 135 - HA ALA 88 far 0 90 0 - 8.4-12.0 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 3.7-3.9 2.9/7195=91, 11370=83...(16) HA ILE 80 - QB ALA 88 far 0 76 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 11294 from cnoeabs.peaks (3.23, 1.66, 18.14 ppm; 4.25 A): 3 out of 5 assignments used, quality = 1.00: HB3 PHE 87 + QB ALA 88 OK 100 100 100 100 3.7-4.2 4.5/7185=58, 9834=43...(22) HB2 PHE 87 + QB ALA 88 OK 99 100 100 100 4.0-5.0 4.5/7185=58, 9834=43...(21) HD3 ARG 135 + QB ALA 88 OK 30 100 45 67 3.3-7.0 10635/9857=35...(4) HA VAL 93 - QB ALA 88 far 0 90 0 - 7.7-8.9 HB3 CYS 125 - QB ALA 88 far 0 57 0 - 8.2-11.4 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 4.8-5.0 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 2.9-3.7 7275=93, 7281/2793=83...(11) H ILE 129 - HA ARG 90 far 0 76 0 - 7.5-9.3 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 3 assignments used, quality = 1.00: H VAL 93 + HA ARG 90 OK 100 100 100 100 2.8-3.4 7262=100, 2918/9953=90...(13) H SER 74 - HA ARG 90 far 0 57 0 - 6.3-7.9 H LEU 70 - HA ARG 90 far 0 60 0 - 8.5-11.5 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 = 0.97: HE ARG 90 + HB2 ARG 90 OK 93 93 100 100 2.4-4.1 4.8=100 QD PHE 87 + HB2 ARG 90 OK 58 85 75 91 4.9-7.7 3.7/2723=80, 9919/4.4=35...(5) Violated in 0 structures by 0.00 A. Peak 11301 from cnoeabs.peaks (8.68, 1.73, 28.15 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.97: H PHE 89 + HG3 ARG 90 OK 97 97 100 100 3.8-6.4 7209/7220=94...(7) Violated in 4 structures by 0.01 A. Peak 11302 from cnoeabs.peaks (8.68, 2.02, 28.15 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: H PHE 89 + HG2 ARG 90 OK 99 99 100 100 4.1-5.2 4.1/7219=99...(6) H LYS 39 + HB3 GLU 40 OK 76 76 100 100 4.8-6.5 6448/4.0=96, 6466/4.6=73...(4) H SER 60 + HG2 PRO 58 OK 53 53 100 100 3.7-4.5 10975/2.3=91...(16) H LYS 39 - HB2 GLU 44 far 0 94 0 - 8.4-10.4 H SER 50 - HB2 GLU 44 far 0 75 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 11303 from cnoeabs.peaks (1.18, 1.73, 28.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 77 + HG3 ARG 90 OK 100 100 100 100 1.9-3.2 9662/1.8=92, 2.1/9651=76...(32) Violated in 0 structures by 0.00 A. Peak 11304 from cnoeabs.peaks (1.18, 3.17, 43.40 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: QG2 VAL 77 + HD3 ARG 90 OK 100 100 100 100 2.0-3.8 9662/3.0=60, 9676/2.9=55...(38) QG2 VAL 77 + HD2 ARG 90 OK 100 100 100 100 1.9-4.2 9662/3.0=60, 9676/2.9=55...(39) QG2 THR 18 - HD3 ARG 23 far 0 88 0 - 5.3-11.5 QG2 THR 18 - HD2 ARG 23 far 0 88 0 - 5.5-11.2 QG2 THR 25 - HD2 ARG 23 far 0 91 0 - 6.1-10.4 QG2 THR 25 - HD3 ARG 23 far 0 91 0 - 6.2-9.8 HG12 ILE 32 - HD3 ARG 23 far 0 74 0 - 7.7-20.6 HG12 ILE 32 - HD2 ARG 23 far 0 74 0 - 7.9-21.4 QB ALA 41 - HD2 ARG 23 far 0 87 0 - 9.5-26.1 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 4 assignments used, quality = 0.99: QG1 VAL 77 + HD2 ARG 90 OK 93 98 95 100 1.9-5.2 9651/3.0=61...(36) QG1 VAL 77 + HD3 ARG 90 OK 83 98 85 100 2.3-5.2 9651/3.0=61...(35) QG2 VAL 133 - HD3 ARG 90 far 0 97 0 - 7.1-12.7 QG2 VAL 133 - HD2 ARG 90 far 0 96 0 - 8.0-12.2 Violated in 1 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 2.1-4.8 2.1/11303=92, ~9662=80...(32) QG2 VAL 133 - HG3 ARG 90 far 0 100 0 - 6.9-10.9 Violated in 0 structures by 0.00 A. Peak 11307 from cnoeabs.peaks (1.38, 3.98, 58.93 ppm; 6.26 A): 2 out of 14 assignments used, quality = 0.66: HG2 LYS 95 + HA GLU 91 OK 47 96 90 54 4.6-7.3 9911/2884=26...(4) HG3 LYS 95 + HA GLU 91 OK 35 97 95 38 5.1-7.4 4.6/7290=21, ~11309=16 QB ALA 29 - HA GLN 68 far 12 80 15 - 4.4-17.5 HG2 LYS 36 - HA GLN 68 far 4 80 5 - 6.1-11.7 HB2 LEU 96 - HA GLN 127 far 0 75 0 - 7.6-9.1 HB2 LEU 96 - HA GLU 91 far 0 100 0 - 8.0-10.7 QB ALA 12 - HA GLN 68 far 0 68 0 - 8.2-32.6 QB ALA 28 - HA GLN 68 far 0 78 0 - 8.3-19.2 HG LEU 96 - HA GLN 68 far 0 57 0 - 8.7-11.0 HB3 LEU 100 - HA GLN 68 far 0 80 0 - 9.1-10.5 HG LEU 96 - HA GLU 91 far 0 78 0 - 9.3-10.4 HB2 LEU 42 - HA GLN 127 far 0 75 0 - 9.7-11.2 HG LEU 96 - HA GLN 127 far 0 52 0 - 9.9-10.4 HB2 LEU 42 - HA GLN 68 far 0 81 0 - 9.9-11.9 Violated in 2 structures by 0.01 A. Peak 11308 from cnoeabs.peaks (1.41, 1.99, 28.84 ppm; 4.82 A): 1 out of 6 assignments used, quality = 0.89: QB ALA 92 + HB2 GLU 91 OK 89 89 100 100 4.8-5.1 3.0/7252=86...(21) HG2 LYS 95 - HB2 GLU 91 far 0 71 0 - 6.1-9.0 HG3 LYS 95 - HB2 GLU 91 far 0 65 0 - 7.0-9.3 QB ALA 109 - HB3 PRO 56 far 0 34 0 - 8.8-14.0 HG2 LYS 86 - HB2 GLU 91 far 0 99 0 - 9.2-11.0 QB ALA 108 - HB3 PRO 56 far 0 29 0 - 9.2-15.6 Violated in 18 structures by 0.10 A. Peak 11309 from cnoeabs.peaks (1.41, 2.03, 28.84 ppm; 5.23 A): 2 out of 5 assignments used, quality = 0.87: QB ALA 92 + HB3 GLU 91 OK 83 83 100 100 4.6-5.1 3.0/7253=91...(19) HG2 LYS 95 + HB3 GLU 91 OK 25 78 45 71 5.1-7.7 9911/3.0=30...(7) HG3 LYS 95 - HB3 GLU 91 far 11 73 15 - 5.7-8.7 HB2 LEU 96 - HB3 GLU 91 far 0 60 0 - 9.4-11.9 HG2 LYS 86 - HB3 GLU 91 far 0 97 0 - 9.4-11.4 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 2 assignments used, quality = 1.00: H GLU 91 + HA ALA 92 OK 100 100 100 100 5.3-5.4 7250/2.9=100...(7) H VAL 133 - HA ALA 92 far 0 73 0 - 9.9-11.1 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 4.0-4.8 3.1/2894=90, 7311/4.9=68...(20) H VAL 126 - HA ALA 92 far 3 57 5 - 6.6-8.0 H ASP 131 - HA ALA 92 far 0 97 0 - 9.1-10.1 H LEU 123 - HA ALA 92 far 0 100 0 - 9.7-11.7 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: HG2 GLU 91 + QB ALA 92 OK 100 100 100 100 2.7-3.2 7254/7257=65...(24) HB3 GLU 128 + QB ALA 92 OK 100 100 100 100 1.9-4.2 1.8/10444=82...(14) HB3 LEU 96 + QB ALA 92 OK 97 99 100 98 4.0-4.7 10492/10491=45...(14) HB3 GLN 127 - QB ALA 92 far 0 100 0 - 6.4-7.4 HB3 GLU 97 - QB ALA 92 far 0 93 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 11316 from cnoeabs.peaks (2.05, 1.43, 18.02 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.92: HB3 GLU 91 + QB ALA 92 OK 92 92 100 100 4.6-5.1 7253/7257=65...(19) HB2 GLN 127 - QB ALA 92 far 0 98 0 - 5.9-7.5 HG2 ARG 90 - QB ALA 92 far 0 71 0 - 6.6-7.5 HG3 ARG 135 - QB ALA 92 far 0 92 0 - 7.3-9.6 HB2 GLN 134 - QB ALA 92 far 0 65 0 - 9.3-11.8 Violated in 20 structures by 0.75 A. Peak 11317 from cnoeabs.peaks (1.75, 1.43, 18.02 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: HG13 ILE 129 + QB ALA 92 OK 100 100 100 100 3.0-4.3 2.1/10491=86...(18) HG3 ARG 90 - QB ALA 92 far 0 92 0 - 6.1-7.9 HG LEU 100 - QB ALA 92 far 0 57 0 - 8.8-10.9 HB ILE 80 - QB ALA 92 far 0 97 0 - 9.4-10.8 Violated in 15 structures by 0.25 A. Peak 11318 from cnoeabs.peaks (1.64, 1.43, 18.02 ppm; 4.26 A): 3 out of 9 assignments used, quality = 0.93: QB ALA 88 + QB ALA 92 OK 86 87 100 99 3.5-4.8 11635/10491=51...(16) HD2 LYS 95 + QB ALA 92 OK 29 97 30 99 3.8-6.7 3.7/9948=62, 3.0/9950=56...(23) HD3 LYS 95 + QB ALA 92 OK 27 90 30 99 3.6-6.7 3.7/9948=62, 3.0/9950=56...(22) HB2 LEU 69 - QB ALA 92 far 0 68 0 - 7.2-10.2 HB2 LEU 98 - QB ALA 92 far 0 98 0 - 8.0-10.3 HB2 LEU 123 - QB ALA 92 far 0 99 0 - 8.8-10.0 HG3 ARG 84 - QB ALA 92 far 0 99 0 - 9.6-12.7 HG2 ARG 84 - QB ALA 92 far 0 99 0 - 9.9-12.5 HG LEU 43 - QB ALA 92 far 0 100 0 - 9.9-11.3 Violated in 2 structures by 0.01 A. Peak 11319 from cnoeabs.peaks (2.36, 1.43, 18.02 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.89: HG2 GLU 128 + QB ALA 92 OK 89 89 100 100 1.9-3.2 1.8/10447=94, 10446=83...(18) HB VAL 77 - QB ALA 92 far 0 76 0 - 7.3-8.8 HG2 GLN 127 - QB ALA 92 far 0 100 0 - 7.6-8.9 HB3 GLN 134 - QB ALA 92 far 0 63 0 - 9.2-11.6 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 5 assignments used, quality = 1.00: QG2 ILE 129 + HA VAL 93 OK 100 100 100 100 3.5-5.2 4163/10461=97...(33) QD1 LEU 70 + HA VAL 93 OK 89 99 90 100 3.9-6.6 ~9485=65, ~9485=62...(20) QD1 LEU 122 - HA VAL 93 far 8 83 10 - 6.0-8.7 QD2 LEU 49 - HA VAL 93 far 0 57 0 - 7.1-9.8 QG1 VAL 133 - HA VAL 93 far 0 97 0 - 7.5-10.4 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 = 0.85: QD2 LEU 70 + QG1 VAL 93 OK 76 92 100 83 2.4-3.4 9485/2.1=28, 9495/3.2=20...(19) QD1 LEU 70 + QG1 VAL 93 OK 36 76 55 86 1.8-4.6 ~9485=20, ~9485=18...(20) QG2 ILE 129 - QG1 VAL 93 far 0 83 0 - 3.8-5.0 QD2 LEU 69 - QG1 VAL 93 far 0 63 0 - 5.4-7.1 QD1 LEU 98 - QG1 VAL 93 far 0 81 0 - 5.4-7.9 QG1 VAL 133 - QG1 VAL 93 far 0 100 0 - 6.6-8.8 QG2 ILE 80 - QG1 VAL 93 far 0 63 0 - 8.7-9.6 HG13 ILE 80 - QG1 VAL 93 far 0 87 0 - 8.9-10.0 Violated in 10 structures by 0.11 A. Peak 11323 from cnoeabs.peaks (1.70, 0.75, 21.32 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.83: HB3 LEU 70 + QG1 VAL 93 OK 62 89 70 100 2.0-5.8 3.2/11322=61, ~11419=44...(21) HB2 LEU 70 + QG1 VAL 93 OK 56 93 60 100 3.1-6.1 3.2/11322=61, ~11419=44...(20) HB2 LEU 69 - QG1 VAL 93 poor 15 60 40 63 4.3-8.5 ~11043=33, ~9968=20...(7) HG LEU 98 - QG1 VAL 93 far 0 96 0 - 6.1-7.6 Violated in 10 structures by 0.21 A. Peak 11324 from cnoeabs.peaks (1.64, 0.75, 21.32 ppm; 5.54 A): 3 out of 9 assignments used, quality = 0.81: HB2 LEU 69 + QG1 VAL 93 OK 48 65 75 98 4.3-8.5 11407/2.1=91, ~11043=51...(9) HD3 LYS 95 + QG1 VAL 93 OK 42 89 50 95 5.8-7.9 5.5/11332=51...(18) HD2 LYS 95 + QG1 VAL 93 OK 36 96 40 94 5.8-8.1 5.5/11332=51...(18) HB2 LEU 98 - QG1 VAL 93 far 0 97 0 - 6.9-9.0 QB ALA 88 - QG1 VAL 93 far 0 85 0 - 7.6-8.3 HD3 LYS 19 - QG1 VAL 93 far 0 99 0 - 8.3-30.3 HD2 LYS 19 - QG1 VAL 93 far 0 99 0 - 9.3-30.6 HD2 LYS 86 - QG1 VAL 93 far 0 89 0 - 9.6-11.0 HD3 LYS 86 - QG1 VAL 93 far 0 89 0 - 9.7-11.1 Violated in 1 structures by 0.02 A. Peak 11325 from cnoeabs.peaks (1.73, 0.29, 23.10 ppm; 4.55 A): 3 out of 8 assignments used, quality = 1.00: HG13 ILE 129 + QG2 VAL 93 OK 97 97 100 100 1.8-3.3 2.1/9967=97...(22) HG3 ARG 90 + QG2 VAL 93 OK 89 100 90 99 3.6-5.8 2788/9953=68...(13) HB3 LEU 70 + QG2 VAL 93 OK 38 85 45 100 4.1-6.6 3.0/11419=71...(17) HB2 LEU 70 - QG2 VAL 93 far 12 78 15 - 5.1-7.0 HB ILE 80 - QG2 VAL 93 far 0 100 0 - 7.6-8.7 HG LEU 98 - QG2 VAL 93 far 0 73 0 - 7.8-9.0 HG2 ARG 135 - QG2 VAL 93 far 0 76 0 - 8.8-12.4 HB2 LEU 43 - QG2 VAL 93 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11326 from cnoeabs.peaks (7.41, 0.29, 23.10 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 89 + QG2 VAL 93 OK 99 99 100 100 2.0-3.5 2.2/9923=81, 2.2/9924=79...(24) HE22 GLN 101 - QG2 VAL 93 far 0 63 0 - 8.8-12.3 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 4.7-5.0 11432/2.1=85...(28) H VAL 126 - QG2 VAL 93 far 10 97 10 - 6.1-7.1 H LEU 69 - QG2 VAL 93 far 4 85 5 - 6.0-8.1 H ASP 131 - QG2 VAL 93 far 0 98 0 - 6.9-7.7 H SER 99 - QG2 VAL 93 far 0 96 0 - 8.2-9.2 H LEU 43 - QG2 VAL 93 far 0 99 0 - 8.4-9.0 H LEU 123 - QG2 VAL 93 far 0 83 0 - 9.6-10.9 H LEU 49 - QG2 VAL 93 far 0 76 0 - 9.8-11.1 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 4.0-4.7 9566=98, 2.9/9955=92...(22) 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 4.0-5.4 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 4.1-4.5 11425/2.1=86...(26) H SER 99 - QG1 VAL 93 far 0 71 0 - 6.8-8.0 H VAL 126 - QG1 VAL 93 far 0 73 0 - 7.3-8.1 H ASP 131 - QG1 VAL 93 far 0 100 0 - 9.4-10.2 H LEU 43 - QG1 VAL 93 far 0 81 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 11331 from cnoeabs.peaks (7.79, 0.75, 21.32 ppm; 5.50 A): 2 out of 2 assignments used, quality = 0.95: H GLY 75 + QG1 VAL 93 OK 84 100 85 99 5.4-7.2 3.6/9590=80...(7) H ALA 92 + QG1 VAL 93 OK 68 68 100 100 5.4-5.6 9922/2.1=91, ~9945=68...(17) 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 4.2-4.5 3.4/7283=86, 3.6/9963=78...(29) H GLN 101 - QG1 VAL 93 far 0 98 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 11333 from cnoeabs.peaks (7.40, 0.75, 21.32 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 89 + QG1 VAL 93 OK 100 100 100 100 3.6-5.0 11424/2.1=95...(13) HE22 GLN 101 - QG1 VAL 93 far 8 85 10 - 6.6-10.2 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 = 0.91: HZ PHE 89 + QG1 VAL 93 OK 91 96 95 100 4.5-6.6 2.2/11429=93...(10) QD PHE 87 - QG1 VAL 93 far 0 100 0 - 8.8-10.1 Violated in 10 structures by 0.12 A. Peak 11335 from cnoeabs.peaks (0.89, 4.23, 61.64 ppm; 5.27 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 95 95 100 100 3.8-5.7 7766/2.9=82...(23) QD2 LEU 98 + HA SER 94 OK 92 97 100 96 4.2-5.7 11470/4.9=69...(5) QD1 LEU 98 + HA SER 94 OK 50 71 85 84 3.8-7.2 ~11438=49, 11469/4.9=38...(7) QD1 LEU 49 - HA SER 124 poor 13 63 20 - 5.1-9.5 QD2 LEU 69 - HA SER 124 far 0 79 0 - 8.2-10.0 QG1 VAL 118 - HA SER 124 far 0 89 0 - 8.7-10.0 QD2 LEU 69 - HA SER 94 far 0 87 0 - 9.0-10.8 QD1 LEU 62 - HA SER 124 far 0 61 0 - 9.0-11.8 QG1 VAL 118 - HA SER 94 far 0 96 0 - 9.7-11.0 QD2 LEU 98 - HA SER 124 far 0 90 0 - 9.8-12.4 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 10 assignments used, quality = 0.99: QG1 VAL 93 + HA SER 94 OK 93 93 100 100 2.8-3.2 9963=89, 7283/2.9=87...(23) QD2 LEU 96 + HA SER 94 OK 91 92 100 99 5.0-5.9 3098/7334=56...(11) QD1 LEU 96 - HA SER 94 far 5 99 5 - 6.0-7.1 QD2 LEU 122 - HA SER 124 far 3 68 5 - 6.0-8.5 HG12 ILE 129 - HA SER 124 far 0 86 0 - 7.0-9.9 QD1 LEU 96 - HA SER 124 far 0 93 0 - 7.1-8.2 QD2 LEU 122 - HA SER 94 far 0 76 0 - 7.5-9.9 QD2 LEU 96 - HA SER 124 far 0 84 0 - 7.9-8.5 HG12 ILE 129 - HA SER 94 far 0 93 0 - 8.4-9.7 QD1 LEU 103 - HA SER 124 far 0 79 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11338 from cnoeabs.peaks (1.48, 3.90, 62.72 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.50: HB2 LEU 49 + HB3 SER 50 OK 50 60 85 98 4.3-6.1 6618/3.9=44, 1546=38...(26) QB ALA 52 - HB3 SER 50 far 0 73 0 - 6.0-6.8 Violated in 9 structures by 0.21 A. Peak 11339 from cnoeabs.peaks (0.92, 3.90, 62.72 ppm; 4.31 A): 2 out of 5 assignments used, quality = 0.70: QD1 LEU 123 + HB3 SER 50 OK 56 66 85 99 3.5-5.7 11772/3.0=74, ~11636=44...(25) QD1 LEU 49 + HB3 SER 50 OK 33 73 50 90 3.2-6.4 3.2/11338=47...(21) QD1 LEU 48 - HB3 SER 50 far 0 70 0 - 5.5-8.9 QD2 LEU 48 - HB3 SER 50 far 0 71 0 - 5.8-7.4 QD1 LEU 62 - HB3 SER 50 far 0 73 0 - 8.6-10.9 Violated in 5 structures by 0.03 A. Peak 11340 from cnoeabs.peaks (0.79, 3.90, 62.72 ppm; 6.19 A): 3 out of 12 assignments used, quality = 0.93: QD1 LEU 53 + HB3 SER 50 OK 73 73 100 100 3.2-6.1 9218/3.0=98, ~11816=75...(22) QD2 LEU 49 + HB3 SER 50 OK 64 72 90 100 5.1-7.3 3.2/11338=87...(24) QD1 LEU 70 + HB2 SER 94 OK 26 65 60 67 5.3-8.1 ~11104=29, ~11642=23...(6) QD2 LEU 122 - HB3 SER 50 far 7 72 10 - 6.1-11.4 QD1 LEU 122 - HB3 SER 50 far 0 62 0 - 7.2-10.6 QG2 ILE 129 - HB2 SER 94 far 0 57 0 - 7.6-9.1 QD1 LEU 96 - HB2 SER 94 far 0 83 0 - 7.9-8.7 QD1 LEU 96 - HB3 SER 50 far 0 54 0 - 8.3-10.7 QG2 ILE 129 - HB3 SER 50 far 0 35 0 - 8.7-11.6 QD2 LEU 122 - HB2 SER 94 far 0 100 0 - 9.2-11.7 QD2 LEU 119 - HB3 SER 50 far 0 69 0 - 9.5-11.7 QD1 LEU 122 - HB2 SER 94 far 0 92 0 - 9.7-12.2 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 3 assignments used, quality = 1.00: H GLU 97 + HA LYS 95 OK 100 100 100 100 3.9-4.4 7330/3.6=90, 7308/2.9=74...(14) H LEU 100 - HA LYS 95 far 0 96 0 - 6.2-7.6 H HIS 5 - HA LYS 95 far 0 57 0 - 7.8-70.8 Violated in 0 structures by 0.00 A. Peak 11343 from cnoeabs.peaks (0.86, 4.02, 59.62 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 98 + HA LYS 95 OK 100 100 100 100 2.5-4.4 11469=92, 2.1/11470=85...(21) QD2 LEU 98 + HA LYS 95 OK 96 96 100 100 1.9-3.4 11470=93, 2.1/11468=69...(23) QD2 LEU 70 - HA LYS 95 far 0 99 0 - 6.3-7.2 QD2 LEU 69 - HA LYS 95 far 0 100 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11350 from cnoeabs.peaks (0.81, 1.94, 32.34 ppm; 5.20 A): 3 out of 25 assignments used, quality = 0.93: QG2 ILE 80 + HB3 PRO 81 OK 82 82 100 100 4.2-4.7 11281/1.8=84...(34) QG2 ILE 80 + HB3 LYS 86 OK 42 42 100 100 2.5-4.2 9821/1.8=96, 3.1/9721=77...(41) HG13 ILE 80 + HB3 LYS 86 OK 29 38 75 100 4.4-6.9 2.1/9721=88, ~9822=64...(39) QG1 VAL 133 - HB3 PRO 81 poor 17 56 30 - 4.4-11.4 HG13 ILE 80 - HB3 PRO 81 poor 15 77 20 - 5.8-8.1 QD2 LEU 122 - HB3 LYS 95 far 10 65 15 - 5.3-8.4 QD2 LEU 122 - HB2 LYS 95 far 3 64 5 - 5.8-9.0 QD2 LEU 119 - HB2 PRO 58 far 0 76 0 - 6.6-11.3 QD1 LEU 122 - HB3 LYS 95 far 0 99 0 - 6.8-9.0 QD1 LEU 70 - HB2 LYS 95 far 0 99 0 - 7.2-9.2 QD1 LEU 122 - HB2 LYS 95 far 0 98 0 - 7.3-9.7 QG2 ILE 129 - HB2 LYS 95 far 0 98 0 - 7.3-8.8 QG1 VAL 133 - HB3 LYS 86 far 0 26 0 - 7.5-9.9 QD1 LEU 70 - HB3 LYS 95 far 0 100 0 - 7.9-9.7 QG2 ILE 129 - HB3 LYS 95 far 0 99 0 - 8.3-10.0 QG2 ILE 129 - HB3 LYS 86 far 0 39 0 - 8.8-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 89 0 - 8.9-11.2 QD2 LEU 49 - HB2 PRO 58 far 0 69 0 - 9.1-12.1 QD2 LEU 22 - HB2 PRO 58 far 0 47 0 - 9.1-39.6 QD2 LEU 49 - HB2 LYS 95 far 0 88 0 - 9.2-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 82 0 - 9.2-13.1 QD1 LEU 122 - HB2 PRO 58 far 0 82 0 - 9.2-11.9 QD1 LEU 53 - HB2 PRO 58 far 0 64 0 - 9.3-13.7 QD1 LEU 53 - HB3 LYS 95 far 0 83 0 - 9.3-12.7 QD2 LEU 122 - HB2 PRO 58 far 0 49 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 11351 from cnoeabs.peaks (7.80, 2.88, 41.80 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.60: H ALA 92 + HE3 LYS 95 OK 45 92 50 99 4.9-7.0 3.0/9950=63...(20) H ALA 92 + HE2 LYS 95 OK 27 92 30 97 4.6-7.4 ~9950=46, 2.9/9928=33...(20) HD22 ASN 121 - HE3 LYS 95 far 0 71 0 - 9.3-13.7 Violated in 19 structures by 0.43 A. Peak 11352 from cnoeabs.peaks (8.01, 2.88, 41.80 ppm; 5.51 A): 2 out of 4 assignments used, quality = 0.91: H SER 94 + HE2 LYS 95 OK 77 83 95 98 5.5-7.0 3.4/3043=37, 9225/3.0=33...(14) H SER 94 + HE3 LYS 95 OK 61 83 75 99 5.9-7.0 3.4/3032=37, 9225/3.0=33...(15) H ILE 129 - HE3 LYS 95 far 0 98 0 - 8.4-12.4 H ILE 129 - HE2 LYS 95 far 0 98 0 - 9.0-12.7 Violated in 5 structures by 0.01 A. Peak 11353 from cnoeabs.peaks (3.77, 0.77, 23.84 ppm; 4.88 A): 3 out of 8 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 96 OK 99 99 100 100 2.5-3.6 11809/2.1=90, ~3098=56...(40) HB2 SER 99 + QD1 LEU 96 OK 84 98 100 86 4.2-5.7 3208/4.0=31, 4.5/3106=28...(15) HB2 SER 99 + QD1 LEU 103 OK 27 65 55 75 4.5-7.2 11478/11612=28...(12) HA GLU 97 - QD1 LEU 103 far 0 67 0 - 6.2-9.0 HA ARG 90 - QD1 LEU 96 far 0 68 0 - 7.8-8.8 HB3 SER 130 - QD1 LEU 96 far 0 99 0 - 8.0-9.1 HA SER 130 - QD1 LEU 96 far 0 93 0 - 8.5-9.7 HA LEU 43 - QD1 LEU 96 far 0 95 0 - 8.6-9.8 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 2.7-3.5 9982/3.8=79...(32) QD1 LEU 42 - HB3 LEU 96 far 0 100 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 11357 from cnoeabs.peaks (8.28, 3.76, 59.92 ppm; 5.36 A): 2 out of 5 assignments used, quality = 1.00: H SER 99 + HA GLU 97 OK 99 99 100 100 3.9-4.9 7375/3.6=85, 7374=49...(16) H LEU 96 + HA GLU 97 OK 97 97 100 100 5.0-5.3 7330/2.8=94...(14) H LEU 69 - HA GLU 97 far 0 93 0 - 7.0-9.2 H VAL 126 - HA GLU 97 far 0 99 0 - 7.8-8.7 H LEU 123 - HA GLU 97 far 0 71 0 - 8.7-10.5 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 1.9-4.7 11457/1.8=97...(12) HA HIS 67 - HG3 GLU 97 far 14 93 15 - 4.7-9.3 HA SER 99 - HG3 GLU 97 far 0 93 0 - 7.1-9.5 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 = 0.98: HA SER 94 + HG2 GLU 97 OK 94 100 95 99 1.9-5.9 3117/2.9=68...(14) HA GLU 30 + HG2 GLU 30 OK 69 69 100 100 2.0-4.1 3.8=100 HA ALA 28 - HG2 GLU 30 far 3 69 5 - 4.9-7.8 HA GLN 27 - HG2 GLU 30 far 3 63 5 - 4.8-10.0 HA HIS 67 - HG2 GLU 97 far 0 93 0 - 5.3-9.3 HA ALA 29 - HG2 GLU 30 far 0 70 0 - 5.4-7.0 HA SER 99 - HG2 GLU 97 far 0 93 0 - 7.1-9.1 Violated in 0 structures by 0.00 A. Peak 11361 from cnoeabs.peaks (1.39, 2.27, 35.12 ppm; 4.97 A): 5 out of 14 assignments used, quality = 1.00: HG LEU 96 + HG2 GLU 97 OK 99 99 100 100 2.2-5.2 11461/2.9=64...(30) QB ALA 28 + HG2 GLU 30 OK 67 67 100 100 2.5-4.8 10791/3.0=87...(14) HB2 LEU 96 + HG2 GLU 97 OK 48 97 50 100 3.9-7.2 4.4/3133=64, ~11461=40...(33) HB3 LEU 100 + HG2 GLU 97 OK 47 96 50 99 3.6-7.5 3.2/10012=55, ~10011=31...(21) QB ALA 29 + HG2 GLU 30 OK 45 65 70 99 4.5-6.2 3.7/6320=67, ~10735=50...(16) HG3 LYS 31 - HG2 GLU 30 poor 14 71 20 - 3.5-8.8 HG3 LYS 26 - HG2 GLU 30 far 3 66 5 - 5.4-13.5 HG2 LYS 24 - HG2 GLU 30 far 3 63 5 - 5.1-19.5 HG2 LYS 19 - HG2 GLU 30 far 2 39 5 - 4.6-21.5 HG3 LYS 95 - HG2 GLU 97 far 0 99 0 - 6.5-10.2 HG2 LYS 95 - HG2 GLU 97 far 0 100 0 - 6.9-11.1 QB ALA 16 - HG2 GLU 30 far 0 62 0 - 7.1-22.5 QB ALA 16 - HG2 GLU 97 far 0 95 0 - 9.3-35.6 QB ALA 34 - HG2 GLU 30 far 0 39 0 - 9.6-13.1 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 14 assignments used, quality = 0.98: HG LEU 96 + HB3 GLU 97 OK 95 95 100 100 3.3-4.9 11461/1.8=95, ~11809=62...(41) QB ALA 92 + HB3 GLU 128 OK 57 57 100 100 1.9-4.2 10444/1.8=84...(13) QB ALA 108 - HB3 GLU 102 far 2 49 5 - 3.3-10.6 QB ALA 110 - HB3 GLU 102 far 2 44 5 - 5.4-14.5 HG2 LYS 86 - HB2 GLN 82 far 0 72 0 - 6.7-9.0 QB ALA 109 - HB3 GLU 102 far 0 57 0 - 7.0-11.0 HG3 LYS 95 - HB3 GLU 97 far 0 71 0 - 7.1-9.9 HG3 LYS 95 - HB3 GLU 128 far 0 46 0 - 7.5-11.2 HG2 LYS 95 - HB3 GLU 128 far 0 50 0 - 7.8-10.3 QB ALA 92 - HB3 GLU 97 far 0 85 0 - 8.3-9.3 HG2 LYS 95 - HB3 GLU 97 far 0 76 0 - 8.4-10.4 HG LEU 96 - HB3 GLU 128 far 0 66 0 - 8.8-11.1 QB ALA 16 - HB3 GLU 97 far 0 99 0 - 9.3-33.8 HG LEU 96 - HB3 GLU 102 far 0 73 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 11363 from cnoeabs.peaks (1.40, 2.14, 28.66 ppm; 4.96 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 96 + HB2 GLU 97 OK 99 99 100 100 3.1-4.9 9488/11111=56, ~11809=52...(33) HB3 LEU 100 + HB2 GLU 97 OK 67 71 95 100 4.2-6.3 ~3115=59, ~3115=56...(31) HB2 LEU 96 - HB2 GLU 97 far 0 73 0 - 5.9-7.0 HG3 LYS 95 - HB2 GLU 97 far 0 85 0 - 6.6-9.4 HG2 LYS 95 - HB2 GLU 97 far 0 89 0 - 7.3-10.3 QB ALA 92 - HB2 GLU 97 far 0 71 0 - 7.5-9.3 QB ALA 16 - HB2 GLU 97 far 0 100 0 - 9.8-34.3 Violated in 0 structures by 0.00 A. Peak 11364 from cnoeabs.peaks (1.80, 2.21, 28.66 ppm; 4.47 A): 2 out of 16 assignments used, quality = 0.75: HB2 ARG 84 + HB2 GLN 82 OK 67 69 100 97 2.7-5.3 7091/9778=56...(14) HB2 LEU 100 + HB3 GLU 97 OK 24 68 35 100 3.8-6.5 3115/3.0=49...(32) HB3 LEU 98 - HB3 GLU 97 poor 19 97 20 - 5.1-7.5 HB3 ARG 135 - HB2 GLN 82 far 0 53 0 - 5.6-8.6 HG LEU 100 - HB3 GLU 97 far 0 85 0 - 5.7-7.7 HB3 LEU 103 - HB3 GLU 102 far 0 81 0 - 5.7-6.9 HB3 LEU 98 - HB3 GLU 102 far 0 75 0 - 5.8-9.0 HB2 LYS 86 - HB2 GLN 82 far 0 77 0 - 5.9-8.8 HB3 LEU 122 - HB3 GLU 102 far 0 81 0 - 6.5-12.0 HB2 LEU 100 - HB3 GLU 102 far 0 49 0 - 6.9-9.1 HG LEU 100 - HB3 GLU 102 far 0 63 0 - 7.1-10.6 HB3 LEU 122 - HB3 GLU 97 far 0 100 0 - 7.1-10.8 HB3 LEU 103 - HB3 GLU 97 far 0 100 0 - 8.7-13.2 HB3 ARG 135 - HB3 GLU 128 far 0 52 0 - 9.0-12.8 HB3 LEU 123 - HB3 GLU 128 far 0 26 0 - 9.8-11.9 HB3 LEU 122 - HB3 GLU 128 far 0 75 0 - 9.9-12.6 Violated in 1 structures by 0.00 A. Peak 11365 from cnoeabs.peaks (2.83, 2.21, 28.66 ppm; 6.03 A): 1 out of 7 assignments used, quality = 0.75: HB3 ASN 85 + HB2 GLN 82 OK 75 75 100 100 3.5-5.9 3.5/9797=89...(16) HB2 ASN 116 - HB3 GLU 102 far 3 59 5 - 6.3-11.3 HB2 ASN 121 - HB3 GLU 102 far 2 42 5 - 6.2-10.3 HB3 ASP 71 - HB3 GLU 97 far 0 93 0 - 8.5-12.2 HB3 ASN 85 - HB3 GLU 128 far 0 73 0 - 9.3-12.6 HB2 ASN 121 - HB3 GLU 97 far 0 60 0 - 9.6-12.0 HB2 ASN 121 - HB3 GLU 128 far 0 38 0 - 9.8-12.9 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 2.9-5.8 3.5/9797=89...(15) HB2 ASN 85 - HB3 GLU 128 far 0 73 0 - 9.0-13.5 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 7 assignments used, quality = 0.97: QG2 THR 65 + HA LEU 48 OK 89 89 100 100 4.1-5.3 10991/3.0=74...(18) QG2 THR 65 + HA LEU 49 OK 75 75 100 100 2.0-3.4 10966/4.1=74...(19) QG2 THR 25 - HA LEU 48 far 0 59 0 - 6.2-32.7 QG2 THR 54 - HA LEU 49 far 0 51 0 - 6.3-7.5 QG2 THR 54 - HA LEU 48 far 0 64 0 - 7.2-7.9 QG2 THR 25 - HA LEU 49 far 0 47 0 - 8.0-34.1 QG2 THR 65 - HA GLN 104 far 0 49 0 - 10.0-12.2 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 3.2-4.8 9441=91, 10991/3.0=77...(15) QG2 THR 54 - HG LEU 48 far 0 86 0 - 9.0-10.2 Violated in 1 structures by 0.00 A. Peak 11371 from cnoeabs.peaks (4.02, 1.71, 26.74 ppm; 4.28 A): 2 out of 11 assignments used, quality = 1.00: HA LYS 95 + HG LEU 98 OK 100 100 100 100 1.9-3.6 11470/2.1=93...(20) HA LEU 96 + HG LEU 98 OK 33 85 45 87 4.4-6.9 3.6/10021=50...(18) HB3 SER 99 - HG LEU 98 far 13 89 15 - 3.2-8.1 HA GLU 44 - HG LEU 48 far 0 66 0 - 5.7-7.3 HA LEU 122 - HG LEU 98 far 0 65 0 - 6.0-9.8 HA ALA 92 - HG LEU 98 far 0 71 0 - 7.2-8.7 HA GLU 102 - HG LEU 98 far 0 63 0 - 8.0-10.7 HA SER 50 - HG LEU 48 far 0 66 0 - 8.5-9.2 HA LEU 103 - HG LEU 98 far 0 99 0 - 9.1-12.6 HB2 SER 124 - HG LEU 98 far 0 65 0 - 9.2-13.4 HA LEU 119 - HG LEU 98 far 0 100 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 11372 from cnoeabs.peaks (4.01, 0.86, 23.66 ppm; 3.86 A): 2 out of 13 assignments used, quality = 0.98: HA LYS 95 + QD1 LEU 98 OK 97 98 100 99 2.5-4.4 11468/2.1=69...(21) HA LYS 95 + QD2 LEU 98 OK 41 41 100 100 1.9-3.4 11468/2.1=69...(23) HB3 SER 99 - QD1 LEU 98 far 15 100 15 - 3.6-7.4 HB3 SER 99 - QD2 LEU 98 far 4 43 10 - 4.5-7.1 HA LEU 103 - QD1 LEU 98 far 0 99 0 - 6.9-11.0 HA GLU 91 - QD1 LEU 98 far 0 57 0 - 7.4-10.5 HB2 SER 124 - QD2 LEU 98 far 0 36 0 - 7.7-10.6 HA LEU 119 - QD1 LEU 98 far 0 92 0 - 8.6-12.4 HB2 SER 124 - QD1 LEU 98 far 0 92 0 - 8.7-12.3 HB3 SER 124 - QD2 LEU 98 far 0 32 0 - 8.8-11.7 HA LEU 103 - QD2 LEU 98 far 0 43 0 - 9.3-11.1 HB3 SER 124 - QD1 LEU 98 far 0 85 0 - 9.4-13.7 HA LEU 119 - QD2 LEU 98 far 0 36 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 11373 from cnoeabs.peaks (4.01, 0.88, 24.02 ppm; 3.86 A): 2 out of 14 assignments used, quality = 0.99: HA LYS 95 + QD2 LEU 98 OK 99 99 100 100 1.9-3.4 11468/2.1=69...(23) HA LYS 95 + QD1 LEU 98 OK 43 43 100 99 2.5-4.4 11468/2.1=69...(20) HB3 SER 99 - QD2 LEU 98 far 10 99 10 - 4.5-7.1 HB3 SER 99 - QD1 LEU 98 far 6 42 15 - 3.6-7.4 HA LEU 96 - QD2 LEU 98 far 3 63 5 - 4.6-5.9 HA LEU 96 - QD1 LEU 98 far 0 22 0 - 5.4-7.3 HA LEU 103 - QD1 LEU 98 far 0 44 0 - 6.9-11.0 HB2 SER 124 - QD2 LEU 98 far 0 87 0 - 7.7-10.6 HA LEU 119 - QD1 LEU 98 far 0 39 0 - 8.6-12.4 HB2 SER 124 - QD1 LEU 98 far 0 33 0 - 8.7-12.3 HB3 SER 124 - QD2 LEU 98 far 0 90 0 - 8.8-11.7 HA LEU 103 - QD2 LEU 98 far 0 100 0 - 9.3-11.1 HB3 SER 124 - QD1 LEU 98 far 0 35 0 - 9.4-13.7 HA LEU 119 - QD2 LEU 98 far 0 96 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 11374 from cnoeabs.peaks (1.61, 3.76, 63.21 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 122 + HB2 SER 99 OK 99 99 100 100 2.0-4.6 2.1/11479=60, ~11476=48...(31) HB2 LEU 122 + HB2 SER 99 OK 90 100 90 100 2.2-6.3 3.1/11479=53...(33) HG LEU 119 - HB2 SER 99 far 0 98 0 - 6.7-10.9 HG LEU 70 - HB2 SER 99 far 0 100 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 11375 from cnoeabs.peaks (1.78, 4.00, 63.21 ppm; 5.42 A): 4 out of 4 assignments used, quality = 0.99: HB3 LEU 122 + HB3 SER 99 OK 87 92 95 100 1.9-6.4 3.1/11476=59...(27) HB3 LEU 98 + HB3 SER 99 OK 84 99 90 93 3.7-6.8 ~11480=60, 7378/3.7=40...(8) HG LEU 100 + HB3 SER 99 OK 54 100 55 99 4.0-7.5 3249/7395=71...(15) HB3 LEU 103 + HB3 SER 99 OK 34 93 40 92 4.6-7.5 11916/10270=64...(14) Violated in 0 structures by 0.00 A. Peak 11376 from cnoeabs.peaks (1.62, 4.00, 63.21 ppm; 5.24 A): 2 out of 6 assignments used, quality = 0.99: HB2 LEU 122 + HB3 SER 99 OK 90 95 95 100 2.0-6.5 3.1/11476=58...(26) HG LEU 122 + HB3 SER 99 OK 89 89 100 100 2.3-5.4 2.1/11476=63, ~11479=50...(24) HG LEU 119 - HB3 SER 99 far 0 100 0 - 6.7-9.6 HB2 LEU 123 - HB3 SER 99 far 0 63 0 - 7.0-9.4 HG LEU 70 - HB3 SER 99 far 0 97 0 - 8.4-11.5 HG LEU 62 - HB3 SER 99 far 0 68 0 - 9.0-12.8 Violated in 0 structures by 0.00 A. Peak 11378 from cnoeabs.peaks (0.79, 4.00, 63.21 ppm; 3.91 A): 3 out of 8 assignments used, quality = 0.95: QD2 LEU 122 + HB3 SER 99 OK 84 100 85 99 1.9-5.7 11479/1.8=45...(27) QD1 LEU 122 + HB3 SER 99 OK 56 81 70 98 1.9-5.4 ~11479=32, 11702=30...(25) QD1 LEU 103 + HB3 SER 99 OK 35 100 45 78 4.2-7.0 10265/10270=51...(12) QD1 LEU 96 - HB3 SER 99 far 14 93 15 - 4.2-6.3 QD2 LEU 119 - HB3 SER 99 far 0 92 0 - 5.7-9.6 QD1 LEU 53 - HB3 SER 99 far 0 99 0 - 6.4-10.5 QD2 LEU 49 - HB3 SER 99 far 0 97 0 - 6.7-9.5 QG1 VAL 63 - HB3 SER 99 far 0 100 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 11379 from cnoeabs.peaks (0.79, 3.76, 63.21 ppm; 3.91 A): 3 out of 9 assignments used, quality = 0.99: QD2 LEU 122 + HB2 SER 99 OK 94 100 95 99 1.9-5.0 11476/1.8=52...(36) QD1 LEU 122 + HB2 SER 99 OK 64 87 75 99 2.1-5.5 ~11476=32, 11476/1.8=30...(35) QD1 LEU 96 + HB2 SER 99 OK 37 89 55 75 4.2-5.7 11451=24, 4.0/3208=21...(15) QD1 LEU 103 - HB2 SER 99 poor 20 99 20 - 4.5-7.2 QD1 LEU 53 - HB2 SER 99 far 0 100 0 - 6.0-10.8 QD2 LEU 119 - HB2 SER 99 far 0 96 0 - 6.1-8.9 QD2 LEU 49 - HB2 SER 99 far 0 99 0 - 6.2-8.8 QD1 LEU 70 - HB2 SER 99 far 0 57 0 - 6.9-9.6 QG1 VAL 63 - HB2 SER 99 far 0 99 0 - 7.5-9.8 Violated in 0 structures by 0.00 A. Peak 11380 from cnoeabs.peaks (0.86, 3.76, 63.21 ppm; 5.38 A): 2 out of 5 assignments used, quality = 0.77: QD2 LEU 98 + HB2 SER 99 OK 63 93 75 89 5.4-7.0 ~11480=45, 7380/3.7=31...(8) QD1 LEU 98 + HB2 SER 99 OK 38 100 40 94 4.2-7.0 3191/3.7=58, ~11480=45...(10) QD2 LEU 70 - HB2 SER 99 poor 19 99 30 65 5.8-7.4 2268/4.5=26...(9) QD2 LEU 69 - HB2 SER 99 far 0 99 0 - 7.6-10.4 QD2 LEU 123 - HB2 SER 99 far 0 78 0 - 7.8-9.8 Violated in 12 structures by 0.20 A. Peak 11381 from cnoeabs.peaks (0.80, 4.22, 62.42 ppm; 4.98 A): 3 out of 8 assignments used, quality = 0.94: QD2 LEU 122 + HA SER 99 OK 75 89 85 100 3.9-7.0 11479/3.0=55...(45) QD1 LEU 103 + HA SER 99 OK 59 78 80 94 4.7-7.0 10265/10271=45...(17) QD1 LEU 122 + HA SER 99 OK 40 100 40 100 3.9-7.1 ~11476=37, 11702/3.0=37...(41) QD2 LEU 119 - HA SER 99 far 0 100 0 - 6.8-10.0 QG1 VAL 63 - HA SER 99 far 0 81 0 - 7.6-9.4 QD1 LEU 70 - HA SER 99 far 0 92 0 - 7.7-9.6 QD1 LEU 53 - HA SER 99 far 0 97 0 - 8.4-12.7 QD2 LEU 49 - HA SER 99 far 0 99 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 11384 from cnoeabs.peaks (0.80, 3.96, 57.71 ppm; 3.79 A): 5 out of 9 assignments used, quality = 0.99: QD2 LEU 122 + HA LEU 100 OK 85 97 90 97 1.8-5.7 10026/2.9=35...(33) QD1 LEU 103 + HA LEU 100 OK 79 92 100 86 1.9-4.5 3.2/3370=31...(17) QD1 LEU 122 + HA LEU 100 OK 68 97 75 94 1.8-5.1 9487/4.0=22...(29) QD1 LEU 96 + HA LEU 100 OK 23 71 40 81 4.2-5.6 11492/3266=17...(21) QG1 VAL 63 + HA LEU 100 OK 22 93 25 96 3.9-5.8 10974/3258=55...(15) QD1 LEU 70 - HA LEU 100 far 0 78 0 - 5.4-8.1 QD2 LEU 119 - HA LEU 100 far 0 100 0 - 5.5-8.7 QD2 LEU 49 - HA LEU 100 far 0 100 0 - 5.6-7.8 QD1 LEU 53 - HA LEU 100 far 0 100 0 - 6.6-11.9 Violated in 0 structures by 0.00 A. Peak 11385 from cnoeabs.peaks (0.83, 1.82, 41.28 ppm; 4.12 A): 3 out of 9 assignments used, quality = 0.91: QD2 LEU 70 + HB2 LEU 100 OK 75 78 100 96 3.0-4.3 11107/3.2=50...(20) QD1 LEU 122 + HB2 LEU 100 OK 44 63 70 99 1.9-5.9 9487/3.2=27, ~10337=27...(47) QD1 LEU 70 + HB2 LEU 100 OK 36 90 40 99 3.2-6.5 10000/3115=55, ~11107=40...(20) QD1 LEU 122 - HB3 LEU 123 poor 11 42 55 49 2.5-6.2 11099/3.9=31, 2261/3.0=9...(8) QD1 LEU 98 - HB2 LEU 100 far 0 63 0 - 5.8-8.0 QG2 VAL 57 - HB3 LEU 123 far 0 42 0 - 6.8-8.7 QG2 ILE 129 - HB2 LEU 100 far 0 95 0 - 8.6-11.5 QD2 LEU 70 - HB3 LEU 123 far 0 54 0 - 9.0-11.3 QG2 VAL 57 - HB2 LEU 100 far 0 63 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 11386 from cnoeabs.peaks (0.78, 1.78, 26.11 ppm; 3.80 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HG LEU 100 OK 99 100 100 99 1.8-4.0 3903=32, 11387/2.1=29...(39) QD1 LEU 96 + HG LEU 100 OK 92 97 100 95 2.2-3.9 ~11918=32, 11388/2.1=30...(27) QD1 LEU 122 + HG LEU 100 OK 69 71 100 98 2.0-4.4 2.1/3903=25, 2.1/3887=24...(36) QG1 VAL 63 + HG LEU 100 OK 25 100 25 100 4.1-6.3 10974/2.1=76...(20) QD1 LEU 103 - HG LEU 100 far 10 100 10 - 4.0-6.9 QD2 LEU 49 - HG LEU 100 lone 4 92 50 8 3.8-5.8 11388/2.1=3...(3) QD1 LEU 53 - HG LEU 100 far 0 96 0 - 5.5-11.2 QD2 LEU 119 - HG LEU 100 far 0 85 0 - 6.4-9.8 QD1 ILE 32 - HG LEU 100 far 0 100 0 - 10.0-24.7 Violated in 0 structures by 0.00 A. Peak 11387 from cnoeabs.peaks (0.78, 0.68, 23.54 ppm; 2.50 A): 4 out of 17 assignments used, quality = 0.97: QG1 VAL 63 + QD2 LEU 100 OK 82 100 90 91 1.8-3.5 10974=36, 10973/2.1=27...(19) QD2 LEU 122 + QD2 LEU 100 OK 68 100 85 80 1.9-4.7 3903/2.1=13...(26) QD1 LEU 122 + QD2 LEU 100 OK 40 71 80 70 1.7-4.2 3895/2.1=8, 9487/2.1=8...(24) QD1 LEU 53 + QD2 LEU 62 OK 21 59 50 71 1.8-5.5 2.1/10338=34...(8) QD2 LEU 49 - QD2 LEU 62 poor 17 56 30 - 1.9-5.2 QD2 LEU 49 - QD2 LEU 100 far 14 92 15 - 2.8-5.7 QD2 LEU 119 - QD2 LEU 62 poor 12 50 25 - 2.0-5.5 QD1 LEU 122 - QD2 LEU 62 poor 10 40 25 - 2.9-5.7 QD1 LEU 103 - QD2 LEU 100 poor 9 100 20 46 1.8-4.2 11835/9397=16...(11) QD1 LEU 96 - QD2 LEU 100 far 5 97 5 - 3.2-4.8 QD2 LEU 122 - QD2 LEU 62 far 3 65 5 - 3.3-6.6 QD1 LEU 103 - QD2 LEU 62 far 0 66 0 - 4.4-5.9 QD2 LEU 119 - QD2 LEU 100 far 0 85 0 - 4.5-7.1 QD1 LEU 53 - QD2 LEU 100 far 0 96 0 - 4.6-9.0 QD1 LEU 96 - QD2 LEU 62 far 0 62 0 - 5.7-7.4 QG1 VAL 63 - QD2 LEU 62 far 0 66 0 - 6.5-6.8 QD1 ILE 32 - QD2 LEU 100 far 0 100 0 - 8.5-19.9 Violated in 4 structures by 0.02 A. Peak 11388 from cnoeabs.peaks (0.78, 0.60, 25.62 ppm; 2.92 A): 4 out of 13 assignments used, quality = 0.98: QD1 LEU 96 + QD1 LEU 100 OK 81 99 100 82 1.7-3.7 2.1/11918=22...(23) QD2 LEU 122 + QD1 LEU 100 OK 64 99 70 93 2.1-4.6 2.1/9487=25...(32) QG1 VAL 63 + QD1 LEU 100 OK 53 100 55 97 2.1-4.7 10974/2.1=47, 10973=39...(20) QD1 LEU 122 + QD1 LEU 100 OK 33 63 60 87 2.4-5.2 11387/2.1=13, 9487=11...(30) QD1 LEU 103 - QD1 LEU 100 far 10 100 10 - 3.6-6.4 QD2 LEU 49 - QD1 LEU 100 poor 9 87 30 35 2.3-5.7 11820/11094=7...(7) QD1 LEU 53 - QD1 LEU 100 far 0 92 0 - 4.6-10.9 QG1 VAL 93 - QD1 LEU 100 far 0 60 0 - 5.1-6.7 QD2 LEU 119 - QD1 LEU 100 far 0 78 0 - 6.7-9.3 HG12 ILE 129 - QD1 LEU 100 far 0 60 0 - 6.9-11.2 QD1 ILE 32 - QD1 LEU 100 far 0 100 0 - 7.3-18.9 QD1 ILE 37 - QD1 LEU 100 far 0 100 0 - 9.2-11.6 QD2 LEU 43 - QD1 LEU 100 far 0 73 0 - 9.7-11.9 Violated in 1 structures by 0.01 A. Peak 11389 from cnoeabs.peaks (1.66, 0.60, 25.62 ppm; 4.28 A): 1 out of 7 assignments used, quality = 0.43: HB2 LEU 69 + QD1 LEU 100 OK 43 97 55 82 3.6-6.9 6941/11094=50...(8) HB2 LEU 98 - QD1 LEU 100 far 0 99 0 - 6.6-8.6 HB2 LEU 123 - QD1 LEU 100 far 0 99 0 - 7.1-11.6 HG LEU 62 - QD1 LEU 100 far 0 97 0 - 7.2-9.7 HD3 LYS 95 - QD1 LEU 100 far 0 100 0 - 9.0-11.5 HD2 LYS 95 - QD1 LEU 100 far 0 100 0 - 9.2-11.8 HD2 LYS 24 - QD1 LEU 100 far 0 100 0 - 9.9-32.2 Violated in 11 structures by 0.81 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 3.3-5.0 10001/2.1=100...(26) HB2 SER 99 + HG LEU 100 OK 100 100 100 100 3.6-7.0 4.5/3249=91...(16) Violated in 0 structures by 0.00 A. Peak 11392 from cnoeabs.peaks (8.48, 2.56, 33.80 ppm; 5.54 A): 2 out of 4 assignments used, quality = 0.99: H LEU 100 + HG3 GLN 101 OK 98 98 100 100 3.8-4.7 3.1/3314=96...(16) H GLU 97 + HG3 GLN 101 OK 58 78 95 77 5.6-7.1 9998/10051=23...(10) H SER 9 - HG3 GLN 101 far 0 97 0 - 6.5-57.9 H LEU 70 - HG3 GLN 101 far 0 95 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 11394 from cnoeabs.peaks (3.98, 2.56, 33.80 ppm; 5.32 A): 1 out of 6 assignments used, quality = 0.92: HA LEU 100 + HG3 GLN 101 OK 92 92 100 100 5.5-5.8 3.6/3314=89...(11) HB3 SER 99 - HG3 GLN 101 poor 12 60 20 - 5.9-7.7 HB3 SER 106 - HG3 GLN 101 far 5 100 5 - 5.9-11.3 HB2 SER 106 - HG3 GLN 101 far 0 97 0 - 7.2-12.1 HB3 SER 94 - HG3 GLN 101 far 0 100 0 - 8.8-10.9 HB3 SER 107 - HG3 GLN 101 far 0 90 0 - 9.2-13.9 Violated in 20 structures by 0.30 A. Peak 11396 from cnoeabs.peaks (4.00, 2.21, 27.91 ppm; 4.35 A): 2 out of 8 assignments used, quality = 0.64: HA GLN 68 + HB2 GLN 68 OK 51 51 100 100 2.3-3.0 3.0=100 HA THR 65 + HB2 GLN 68 OK 28 30 95 99 2.2-5.6 2066/1.8=34...(18) HB3 SER 106 - HB2 GLN 101 far 0 89 0 - 6.8-11.1 HA ILE 37 - HB2 GLN 68 far 0 30 0 - 7.6-11.6 HA LEU 103 - HB2 GLN 101 far 0 81 0 - 7.6-8.5 HB2 SER 106 - HB2 GLN 101 far 0 60 0 - 7.9-10.7 HB3 SER 99 - HB2 GLN 101 far 0 97 0 - 8.3-9.2 HA LYS 95 - HB2 GLN 101 far 0 73 0 - 9.5-10.2 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 5 assignments used, quality = 0.92: HB2 LEU 100 + HA GLN 101 OK 79 93 85 100 3.8-5.7 1.8/10048=74...(19) HB3 LEU 103 + HA GLN 101 OK 61 92 75 88 5.1-7.6 7488/3282=52...(9) HB3 LEU 122 - HA GLN 101 far 0 93 0 - 7.6-11.4 HB3 LEU 98 - HA GLN 101 far 0 76 0 - 7.7-8.7 HB2 LYS 86 - HA CYS 79 far 0 75 0 - 7.7-9.6 Violated in 8 structures by 0.06 A. Peak 11400 from cnoeabs.peaks (0.89, 4.10, 58.80 ppm; 4.49 A): 0 out of 10 assignments used, quality = 0.00: QG2 VAL 63 - HA GLN 101 poor 18 71 25 - 4.2-6.8 QD2 LEU 70 - HA GLN 101 poor 15 60 25 - 4.6-7.4 QG1 VAL 118 - HA GLN 101 far 0 93 0 - 5.6-6.8 QD2 LEU 98 - HA GLN 101 far 0 98 0 - 6.3-8.9 QD1 LEU 98 - HA GLN 101 far 0 76 0 - 6.4-8.2 QD1 LEU 62 - HA GLN 101 far 0 63 0 - 8.2-11.6 QD2 LEU 69 - HA GLN 101 far 0 90 0 - 8.3-11.9 QG2 VAL 20 - HA CYS 79 far 0 82 0 - 8.4-31.9 QG1 VAL 20 - HA CYS 79 far 0 59 0 - 8.4-30.7 QD1 LEU 49 - HA GLN 101 far 0 65 0 - 9.4-12.5 Violated in 14 structures by 0.25 A. Peak 11401 from cnoeabs.peaks (0.79, 4.10, 58.80 ppm; 4.52 A): 2 out of 10 assignments used, quality = 0.79: QG1 VAL 63 + HA GLN 101 OK 62 98 70 91 3.6-6.2 10964/10048=42...(12) QG2 ILE 80 + HA CYS 79 OK 44 59 75 99 5.1-6.1 ~9700=43, ~11166=36...(22) QD1 LEU 103 - HA GLN 101 poor 19 97 20 - 3.5-7.6 QD1 LEU 70 - HA GLN 101 far 10 65 15 - 4.4-8.1 QD2 LEU 122 - HA GLN 101 far 0 100 0 - 5.7-9.3 QD1 LEU 122 - HA GLN 101 far 0 92 0 - 5.8-8.9 QD1 LEU 96 - HA GLN 101 far 0 83 0 - 6.2-8.3 QD1 ILE 37 - HA CYS 79 far 0 75 0 - 7.5-10.8 QD2 LEU 49 - HA GLN 101 far 0 100 0 - 8.4-11.1 QD2 LEU 119 - HA GLN 101 far 0 98 0 - 8.8-12.4 Violated in 14 structures by 0.20 A. Peak 11402 from cnoeabs.peaks (0.88, 2.21, 27.91 ppm; 4.91 A): 2 out of 10 assignments used, quality = 0.74: QD1 LEU 98 + HB2 GLN 101 OK 58 89 65 100 5.2-7.1 10055/2.9=83...(13) QD2 LEU 69 + HB2 GLN 68 OK 39 47 85 99 4.0-6.9 6930/4.4=40, ~11022=37...(19) QD2 LEU 70 - HB2 GLN 101 poor 19 76 25 - 4.9-8.4 QD2 LEU 98 - HB2 GLN 101 far 5 100 5 - 5.2-8.1 QG2 ILE 32 - HB2 GLN 68 far 4 30 15 - 4.4-14.6 QD2 LEU 70 - HB2 GLN 68 far 0 32 0 - 6.1-8.0 QD2 LEU 48 - HB2 GLN 68 far 0 24 0 - 6.5-9.6 QG1 VAL 118 - HB2 GLN 101 far 0 83 0 - 6.6-8.0 QD2 LEU 69 - HB2 GLN 101 far 0 97 0 - 9.4-13.1 QD1 LEU 22 - HB2 GLN 101 far 0 92 0 - 9.7-34.0 Violated in 5 structures by 0.10 A. Peak 11403 from cnoeabs.peaks (0.98, 2.21, 27.91 ppm; 5.74 A): 2 out of 6 assignments used, quality = 0.96: QG1 VAL 105 + HB2 GLN 101 OK 89 89 100 100 3.4-6.2 11503/2.9=92, ~10054=69...(9) QG2 VAL 105 + HB2 GLN 101 OK 65 65 100 100 2.1-5.6 10054/2.9=91...(13) QG1 VAL 126 - HB2 GLN 68 far 0 36 0 - 6.9-8.8 QG2 VAL 126 - HB2 GLN 68 far 0 44 0 - 7.1-8.9 QD2 LEU 53 - HB2 GLN 68 far 0 47 0 - 8.4-16.0 QG2 VAL 126 - HB2 GLN 101 far 0 95 0 - 9.5-11.3 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 5 assignments used, quality = 0.96: QG2 VAL 105 + HB3 GLN 101 OK 92 92 100 100 3.5-5.6 10054/2.9=98, ~11503=75...(13) QG1 VAL 105 + HB3 GLN 101 OK 54 60 90 100 3.2-7.4 11503/2.9=89, ~10054=77...(8) QG2 VAL 118 - HB3 GLN 101 poor 7 81 30 30 5.6-8.5 10065/7449=29 QG2 VAL 126 - HB3 GLN 101 far 0 71 0 - 8.3-11.0 QD1 LEU 69 - HB3 GLN 101 far 0 83 0 - 9.6-13.9 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 3 assignments used, quality = 0.00: HG2 LYS 86 - HG2 GLN 82 far 3 57 5 - 7.5-10.7 HG3 LYS 24 - HG3 GLN 61 far 0 73 0 - 8.6-41.9 HG2 LYS 26 - HG3 GLN 61 far 0 87 0 - 9.6-41.2 Violated in 20 structures by 2.67 A. Peak 11406 from cnoeabs.peaks (1.65, 2.42, 33.80 ppm; 4.59 A): 2 out of 12 assignments used, quality = 0.91: HG LEU 62 + HG3 GLN 61 OK 83 86 100 97 3.5-5.5 2.1/10033=71...(5) HB2 LEU 98 + HG2 GLN 101 OK 45 100 45 100 4.0-6.8 3.1/10056=70, ~10051=51...(25) HG3 ARG 84 - HG2 GLN 82 poor 19 49 45 87 3.8-7.8 ~11364=26, 3.0/11407=25...(12) HG2 ARG 84 - HG2 GLN 82 poor 12 49 25 - 3.8-8.1 QB ALA 88 - HG2 GLN 82 far 0 58 0 - 7.2-9.8 HD2 LYS 26 - HG3 GLN 61 far 0 85 0 - 7.3-42.9 HD3 LYS 86 - HG2 GLN 82 far 0 59 0 - 7.9-11.6 HD2 LYS 86 - HG2 GLN 82 far 0 59 0 - 8.1-11.7 HD3 LYS 26 - HG3 GLN 61 far 0 86 0 - 8.2-41.7 HD3 LYS 24 - HG3 GLN 61 far 0 85 0 - 8.9-41.8 HD2 LYS 95 - HG2 GLN 101 far 0 100 0 - 9.7-13.6 HD3 LYS 95 - HG2 GLN 101 far 0 99 0 - 9.7-13.6 Violated in 5 structures by 0.04 A. Peak 11407 from cnoeabs.peaks (1.80, 2.42, 33.80 ppm; 4.62 A): 3 out of 14 assignments used, quality = 0.68: HB2 ARG 84 + HG2 GLN 82 OK 37 56 70 95 3.5-6.7 11364/2.9=50...(14) HB2 LEU 100 + HG2 GLN 101 OK 34 76 45 98 3.6-7.7 4.6/3305=57, ~10053=49...(14) HB3 LEU 98 + HG2 GLN 101 OK 23 93 25 100 4.6-6.6 3.1/10056=70...(25) HB3 ARG 135 - HG2 GLN 82 far 2 45 5 - 5.3-9.7 HG LEU 100 - HG2 GLN 101 far 0 78 0 - 5.8-8.6 HB2 LEU 48 - HG3 GLN 61 far 0 70 0 - 6.2-10.7 HB3 LEU 103 - HG2 GLN 101 far 0 99 0 - 6.7-9.5 HB3 LYS 24 - HG3 GLN 61 far 0 75 0 - 6.9-41.3 HB3 LEU 122 - HG2 GLN 101 far 0 100 0 - 7.2-11.4 HB2 LYS 86 - HG2 GLN 82 far 0 60 0 - 7.6-10.9 HB3 LEU 122 - HG3 GLN 61 far 0 86 0 - 9.3-14.5 HG LEU 100 - HG3 GLN 61 far 0 62 0 - 9.4-12.8 HB3 LEU 123 - HG3 GLN 61 far 0 35 0 - 9.5-13.0 HB3 LEU 103 - HG3 GLN 61 far 0 85 0 - 9.9-12.5 Violated in 2 structures by 0.01 A. Peak 11408 from cnoeabs.peaks (0.97, 2.42, 33.80 ppm; 4.52 A): 3 out of 7 assignments used, quality = 0.82: QG1 VAL 57 + HG3 GLN 61 OK 55 55 100 100 2.3-3.6 2.1/10936=76...(34) QG1 VAL 105 + HG2 GLN 101 OK 41 93 45 97 3.4-7.5 ~10054=58, ~10054=56...(13) QG2 VAL 105 + HG2 GLN 101 OK 34 57 60 98 2.2-6.5 10054/1.8=81...(13) QD2 LEU 53 - HG3 GLN 61 far 4 85 5 - 4.9-10.6 QG2 VAL 126 - HG2 GLN 101 far 0 97 0 - 8.7-10.8 QG2 VAL 126 - HG3 GLN 61 far 0 82 0 - 9.0-12.1 QG1 VAL 126 - HG3 GLN 61 far 0 72 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 11409 from cnoeabs.peaks (0.81, 2.56, 33.80 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.96: QD1 LEU 70 + HG3 GLN 101 OK 84 99 100 85 5.1-7.6 11097/4.7=67...(6) QD2 LEU 122 + HG3 GLN 101 OK 55 73 90 84 5.7-8.6 11489/11497=33...(5) QD1 LEU 122 + HG3 GLN 101 OK 23 100 45 52 5.7-8.9 11489/11497=23...(4) QG1 VAL 63 + HG3 GLN 101 OK 21 63 50 66 6.0-8.8 10964/10053=40...(3) QD1 LEU 103 - HG3 GLN 101 poor 20 60 60 54 5.7-8.5 10068/7451=40, 11489/11497=22 QD2 LEU 49 - HG3 GLN 101 far 0 93 0 - 9.1-11.4 QD2 LEU 119 - HG3 GLN 101 far 0 97 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 11411 from cnoeabs.peaks (4.21, 2.52, 34.65 ppm; 5.66 A): 1 out of 5 assignments used, quality = 0.97: HA SER 99 + HG3 GLU 102 OK 97 97 100 100 1.9-4.4 3332/3.0=91, 3207/3.0=86...(9) HA VAL 105 - HG3 GLU 102 far 0 90 0 - 7.9-9.3 HB3 SER 38 - HG3 GLU 44 far 0 67 0 - 8.3-10.8 HA SER 94 - HG3 GLU 102 far 0 68 0 - 9.5-12.9 HA HIS 67 - HG3 GLU 102 far 0 97 0 - 10.0-12.6 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 = 0.97: QG2 VAL 105 + HG3 GLU 102 OK 94 99 95 100 3.6-5.3 10083=88, 10086/3.7=69...(8) QG2 VAL 118 + HG3 GLU 102 OK 52 95 55 100 2.2-6.0 10267=91, 10266/1.8=84...(17) QD1 LEU 69 - HG3 GLU 44 far 0 73 0 - 7.3-9.6 Violated in 3 structures by 0.02 A. Peak 11413 from cnoeabs.peaks (1.00, 2.36, 34.65 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.98: QG2 VAL 105 + HG2 GLU 102 OK 94 100 95 99 3.2-5.1 10083/1.8=81...(7) QG2 VAL 118 + HG2 GLU 102 OK 58 97 60 100 2.4-6.4 10266=95, 10267/1.8=77...(16) Violated in 3 structures by 0.03 A. Peak 11414 from cnoeabs.peaks (0.99, 2.23, 28.58 ppm; 4.83 A): 3 out of 14 assignments used, quality = 0.99: QG2 VAL 105 + HB3 GLU 102 OK 95 95 100 100 3.4-4.5 11508/3.0=88...(19) QG2 VAL 118 + HB3 GLU 102 OK 85 85 100 100 2.1-4.8 2.1/11546=88, 11545=72...(20) QD1 LEU 69 + HB2 GLN 68 OK 25 47 55 99 2.9-6.9 ~11048=56, 2.1/11021=45...(19) QG2 VAL 105 - HB3 GLU 97 far 0 73 0 - 6.2-10.2 QG2 VAL 126 - HB3 GLU 128 far 0 56 0 - 6.2-7.9 QG2 VAL 126 - HB3 GLU 97 far 0 46 0 - 6.3-7.9 QD1 LEU 69 - HB3 GLU 128 far 0 77 0 - 6.7-10.8 QG2 VAL 126 - HB2 GLN 68 far 0 33 0 - 7.1-8.9 QD1 LEU 69 - HB3 GLU 97 far 0 65 0 - 7.7-10.8 QD2 LEU 53 - HB2 GLN 68 far 0 37 0 - 8.4-16.0 QD2 LEU 53 - HB3 GLU 102 far 0 73 0 - 8.6-16.1 QG2 VAL 118 - HB3 GLU 97 far 0 63 0 - 8.9-10.5 QD2 LEU 53 - HB3 GLU 128 far 0 64 0 - 9.6-12.7 QG2 VAL 126 - HB3 GLU 102 far 0 65 0 - 9.8-12.4 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 3.3-4.4 7477=100, 3396/2.1=90...(28) H ALA 108 - QD2 LEU 103 far 15 100 15 - 4.5-8.6 H ALA 109 - QD2 LEU 103 far 10 100 10 - 5.3-8.9 H ASN 120 - QD2 LEU 103 far 0 100 0 - 5.7-8.0 Violated in 0 structures by 0.00 A. Peak 11416 from cnoeabs.peaks (7.90, 0.74, 25.24 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + QD2 LEU 103 OK 100 100 100 100 2.5-4.1 7491=100, 7488/3.1=81...(26) HD22 ASN 116 + QD2 LEU 103 OK 68 83 85 96 3.1-6.9 3.5/11831=52, ~11425=45...(13) H SER 106 - QD2 LEU 103 poor 20 100 20 - 4.3-7.0 H THR 115 - QD2 LEU 103 far 0 99 0 - 7.2-10.7 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 = 0.98: QG2 VAL 118 + HA LEU 103 OK 90 90 100 100 2.7-4.1 10265/3367=64...(18) QG2 VAL 105 + HA LEU 103 OK 84 97 95 91 3.7-5.3 10070/3.6=60...(8) QD2 LEU 53 - HA LEU 103 far 0 65 0 - 7.1-13.9 QG1 VAL 112 - HA LEU 103 far 0 68 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11420 from cnoeabs.peaks (2.19, 1.79, 41.89 ppm; 4.54 A): 2 out of 15 assignments used, quality = 0.85: HB2 GLN 104 + HB3 LEU 103 OK 64 99 65 99 5.1-6.9 7493/7488=74, ~11827=45...(18) HB3 GLN 104 + HB3 LEU 103 OK 58 65 90 98 3.9-5.8 3.9/7488=64...(19) HB3 GLU 97 - HB3 LEU 98 poor 17 68 25 - 5.1-7.5 HB3 LEU 69 - HB2 LEU 48 far 0 33 0 - 5.9-11.2 HB2 GLN 101 - HB3 LEU 98 far 0 85 0 - 6.8-7.8 HB2 GLN 68 - HB2 LEU 48 far 0 44 0 - 6.9-9.9 HB3 GLN 68 - HB2 LEU 48 far 0 56 0 - 6.9-10.2 HB3 GLU 97 - HB3 LEU 122 far 0 80 0 - 7.1-10.8 HB2 GLN 101 - HB3 LEU 103 far 0 97 0 - 7.1-9.6 HB3 LEU 69 - HB3 LEU 122 far 0 57 0 - 7.7-11.2 HB3 GLN 104 - HB3 LEU 122 far 0 65 0 - 8.2-11.6 HB3 GLU 97 - HB3 LEU 103 far 0 81 0 - 8.7-13.2 HB2 GLN 101 - HB3 LEU 122 far 0 96 0 - 9.0-12.9 HB2 GLN 104 - HB3 LEU 122 far 0 99 0 - 9.8-12.9 HB3 GLN 104 - HB3 LEU 98 far 0 55 0 - 9.9-13.6 Violated in 4 structures by 0.14 A. Peak 11421 from cnoeabs.peaks (1.38, 0.88, 25.36 ppm; 4.30 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 96 - QD2 LEU 123 far 0 100 0 - 6.4-9.9 HG LEU 96 - QD2 LEU 123 far 0 78 0 - 8.4-11.2 HB3 LEU 100 - QD2 LEU 123 far 0 100 0 - 8.8-12.7 Violated in 20 structures by 2.94 A. Peak 11422 from cnoeabs.peaks (0.79, 0.88, 25.36 ppm; 2.72 A): 1 out of 10 assignments used, quality = 0.79: QD1 LEU 53 + QD2 LEU 123 OK 79 100 100 79 1.7-3.5 9218/11636=22...(18) QD1 LEU 122 - QD2 LEU 123 poor 11 96 35 33 2.7-6.8 3899/3944=17...(6) QD2 LEU 122 - QD2 LEU 123 far 5 99 5 - 3.2-7.4 QD2 LEU 49 - QD2 LEU 123 lone 3 100 25 14 2.9-6.5 9206/3.9=7, ~1553=3...(5) QD2 LEU 119 - QD2 LEU 123 far 0 99 0 - 4.4-7.1 QD1 LEU 96 - QD2 LEU 123 far 0 76 0 - 5.4-7.9 QD1 LEU 103 - QD2 LEU 123 far 0 95 0 - 6.2-9.4 QG2 ILE 129 - QD2 LEU 123 far 0 65 0 - 7.5-10.6 QG1 VAL 63 - QD2 LEU 123 far 0 96 0 - 8.9-11.7 QD1 LEU 70 - QD2 LEU 123 far 0 73 0 - 9.2-12.3 Violated in 6 structures by 0.10 A. Peak 11423 from cnoeabs.peaks (3.86, 1.56, 26.63 ppm; 5.29 A): 4 out of 13 assignments used, quality = 0.94: HA LEU 123 + HG LEU 123 OK 79 79 100 100 3.4-3.7 3.7=100 HB2 SER 50 + HG LEU 123 OK 49 62 80 100 4.1-7.0 ~11772=68, ~11636=65...(18) HA LEU 62 + HG LEU 49 OK 22 33 70 96 4.1-7.2 10993/11025=74...(7) HA LEU 123 + HG LEU 49 OK 20 34 60 97 3.6-7.5 10393/11682=86...(17) HB3 SER 50 - HG LEU 123 poor 12 46 25 - 4.5-8.3 HB2 SER 50 - HG LEU 49 poor 10 25 40 - 4.5-8.0 HA LEU 62 - HG LEU 103 far 5 93 5 - 5.5-8.3 HA2 GLY 114 - HG LEU 103 far 0 76 0 - 7.8-13.8 HA LEU 62 - HG LEU 123 far 0 77 0 - 8.1-11.6 HD2 PRO 117 - HG LEU 103 far 0 100 0 - 8.3-11.7 HA2 GLY 114 - HG LEU 123 far 0 60 0 - 8.8-15.2 HA LEU 123 - HG LEU 103 far 0 96 0 - 8.9-13.3 HA LEU 70 - HG LEU 49 far 0 25 0 - 9.1-11.4 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 = 0.84: HD21 ASN 59 + QD1 LEU 103 OK 84 99 85 100 1.9-5.5 1.7/11427=77, 9343=66...(16) HD21 ASN 59 - QD1 LEU 96 far 0 67 0 - 8.7-11.7 Violated in 5 structures by 0.20 A. Peak 11425 from cnoeabs.peaks (7.00, 0.78, 24.12 ppm; 5.71 A): 1 out of 2 assignments used, quality = 0.92: HD21 ASN 116 + QD1 LEU 103 OK 92 93 100 99 1.8-5.3 11532/10265=71...(17) HD21 ASN 116 - QD1 LEU 96 far 0 59 0 - 9.0-12.4 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 7 assignments used, quality = 0.93: H LEU 119 + QD1 LEU 103 OK 93 99 95 99 2.5-6.6 4.3/10265=88...(12) HE22 GLN 61 - QD1 LEU 103 far 0 98 0 - 7.1-11.4 H LEU 119 - QD1 LEU 96 far 0 66 0 - 8.2-9.6 H THR 54 - QD1 LEU 103 far 0 100 0 - 8.9-11.7 HE22 GLN 61 - QD1 LEU 96 far 0 65 0 - 9.0-13.7 H VAL 77 - QD1 LEU 96 far 0 66 0 - 9.6-11.4 H THR 54 - QD1 LEU 96 far 0 69 0 - 9.9-13.9 Violated in 2 structures by 0.06 A. Peak 11427 from cnoeabs.peaks (7.79, 0.78, 24.12 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: HD22 ASN 59 + QD1 LEU 103 OK 100 100 100 100 2.3-4.1 1.7/11424=78...(16) HD22 ASN 121 - QD1 LEU 103 far 0 97 0 - 5.4-10.3 HD22 ASN 121 - QD1 LEU 96 far 0 63 0 - 7.6-10.6 H ALA 92 - QD1 LEU 96 far 0 34 0 - 8.0-8.6 H GLY 75 - QD1 LEU 96 far 0 69 0 - 8.8-11.3 HD22 ASN 59 - QD1 LEU 96 far 0 68 0 - 9.1-12.4 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 1.9-6.2 11424/2.1=92, ~11427=74...(14) Violated in 1 structures by 0.04 A. Peak 11431 from cnoeabs.peaks (1.80, 4.09, 58.10 ppm; 4.16 A): 3 out of 11 assignments used, quality = 1.00: HB3 LEU 103 + HA GLN 104 OK 99 100 100 100 3.7-5.0 7488/3.0=68, ~3378=29...(24) HB3 LEU 98 + HA LEU 98 OK 52 52 100 100 2.4-3.0 3.0=100 HB2 LEU 48 + HA LEU 48 OK 45 45 100 100 2.4-3.0 3.0=100 HB2 LEU 100 - HA LEU 98 far 2 32 5 - 5.0-7.3 HB2 LEU 100 - HA GLN 104 far 0 68 0 - 6.6-9.6 HG LEU 100 - HA LEU 98 far 0 43 0 - 6.7-8.4 HB3 LEU 122 - HA LEU 98 far 0 57 0 - 7.1-10.8 HG LEU 100 - HA GLN 104 far 0 85 0 - 7.3-9.4 HB3 LEU 103 - HA LEU 98 far 0 57 0 - 7.6-11.0 HB3 LEU 122 - HA GLN 104 far 0 100 0 - 9.4-11.6 HB3 LYS 24 - HA LEU 48 far 0 41 0 - 9.4-39.2 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 17 assignments used, quality = 0.99: QG2 VAL 63 + HA GLN 104 OK 96 96 100 100 1.9-3.7 2.1/11433=71...(23) QD2 LEU 48 + HA LEU 48 OK 50 50 100 100 1.9-3.2 3.8=100 QD2 LEU 98 + HA LEU 98 OK 38 38 100 100 1.9-4.1 4.0=100 QD1 LEU 48 + HA LEU 48 OK 32 32 100 100 3.4-3.8 4.0=100 QD1 LEU 49 + HA LEU 48 OK 22 46 50 95 4.5-6.2 1581/4.9=29, 1580/3.6=29...(24) QD1 LEU 62 - HA GLN 104 far 0 92 0 - 5.8-8.2 QG1 VAL 118 - HA GLN 104 far 0 100 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 46 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 26 0 - 6.2-8.1 QG1 VAL 118 - HA LEU 98 far 0 58 0 - 6.4-7.0 QD1 LEU 123 - HA LEU 48 far 0 26 0 - 7.2-9.6 QG2 VAL 63 - HA LEU 98 far 0 51 0 - 8.5-10.4 QG2 VAL 112 - HA GLN 104 far 0 71 0 - 8.5-11.6 QD1 LEU 62 - HA LEU 48 far 0 45 0 - 8.5-11.2 QD2 LEU 69 - HA LEU 98 far 0 28 0 - 9.5-12.6 QD1 LEU 49 - HA GLN 104 far 0 93 0 - 9.5-13.2 QD2 LEU 69 - HA GLN 104 far 0 60 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 11433 from cnoeabs.peaks (0.80, 4.09, 58.10 ppm; 3.70 A): 2 out of 21 assignments used, quality = 0.88: QG1 VAL 63 + HA GLN 104 OK 85 90 95 99 2.0-4.7 10979=50, 9400/3416=39...(17) QD1 LEU 103 + HA GLN 104 OK 21 89 25 97 2.0-5.8 ~7491=29, ~11827=28...(21) QD1 LEU 70 - HA LEU 98 far 0 41 0 - 5.6-7.5 QD2 LEU 122 - HA LEU 98 far 0 51 0 - 5.8-8.6 QD2 LEU 49 - HA LEU 48 far 0 54 0 - 5.8-7.0 QD2 LEU 119 - HA GLN 104 far 0 100 0 - 5.9-11.1 QD1 LEU 122 - HA GLN 104 far 0 99 0 - 6.1-9.7 QD1 LEU 122 - HA LEU 98 far 0 55 0 - 6.2-9.3 QD1 LEU 96 - HA LEU 98 far 0 31 0 - 6.3-7.4 QD1 LEU 53 - HA LEU 48 far 0 53 0 - 6.5-8.8 QD2 LEU 122 - HA GLN 104 far 0 96 0 - 6.5-10.1 QD1 LEU 103 - HA LEU 98 far 0 45 0 - 6.8-9.1 QG1 VAL 63 - HA LEU 98 far 0 47 0 - 7.8-10.8 QD1 LEU 70 - HA GLN 104 far 0 83 0 - 7.9-12.8 QD2 LEU 49 - HA GLN 104 far 0 100 0 - 8.4-12.1 QD1 LEU 122 - HA LEU 48 far 0 52 0 - 8.4-11.3 QD2 LEU 122 - HA LEU 48 far 0 48 0 - 8.8-12.6 QD1 LEU 96 - HA GLN 104 far 0 65 0 - 9.1-10.8 QD1 LEU 96 - HA LEU 48 far 0 29 0 - 9.3-11.1 QD1 LEU 53 - HA GLN 104 far 0 100 0 - 9.5-15.3 QD2 LEU 49 - HA LEU 98 far 0 57 0 - 9.6-11.8 Violated in 1 structures by 0.02 A. Peak 11434 from cnoeabs.peaks (0.95, 2.19, 29.39 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.98: QG1 VAL 105 + HB2 GLN 104 OK 98 99 100 100 3.0-4.9 7531/7523=71...(10) QD1 LEU 119 - HB2 GLN 104 far 0 97 0 - 9.4-12.2 QD2 LEU 53 - HB2 GLN 104 far 0 92 0 - 9.5-17.3 Violated in 1 structures by 0.01 A. Peak 11435 from cnoeabs.peaks (0.78, 2.19, 29.39 ppm; 5.05 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 63 + HB2 GLN 104 OK 100 100 100 100 1.8-4.4 9400/3.0=87, 9401/3.0=84...(31) QD1 LEU 103 + HB2 GLN 104 OK 25 100 25 100 3.3-7.4 ~11827=69, ~11717=63...(22) QD2 LEU 122 - HB2 GLN 104 far 0 100 0 - 6.6-10.8 QD1 LEU 122 - HB2 GLN 104 far 0 73 0 - 6.8-10.3 QD2 LEU 119 - HB2 GLN 104 far 0 87 0 - 7.5-12.7 QD1 LEU 96 - HB2 GLN 104 far 0 97 0 - 8.8-10.9 QD2 LEU 49 - HB2 GLN 104 far 0 93 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 11436 from cnoeabs.peaks (0.78, 2.22, 29.39 ppm; 4.68 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HB3 GLN 104 OK 100 100 100 100 1.8-3.7 9400/3.0=79...(33) QD1 LEU 103 + HB3 GLN 104 OK 25 100 25 99 2.0-7.1 2.1/11717=74, ~11828=44...(23) QD2 LEU 122 - HB3 GLN 104 far 5 99 5 - 5.4-10.8 QD1 LEU 122 - HB3 GLN 104 far 3 65 5 - 5.5-9.2 QD2 LEU 119 - HB3 GLN 104 far 0 81 0 - 7.1-11.8 QD1 LEU 96 - HB3 GLN 104 far 0 99 0 - 7.5-10.9 QD2 LEU 49 - HB3 GLN 104 far 0 89 0 - 8.0-11.1 QD1 LEU 53 - HB3 GLN 104 far 0 93 0 - 9.9-15.1 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 1.8-3.9 11521/3.0=81, 11010=79...(27) QG1 VAL 118 - HB3 GLN 104 far 4 87 5 - 5.3-7.9 QD1 LEU 62 - HB3 GLN 104 far 0 100 0 - 6.5-9.3 QD1 LEU 119 - HB3 GLN 104 far 0 73 0 - 8.3-11.3 QD1 LEU 49 - HB3 GLN 104 far 0 100 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 11438 from cnoeabs.peaks (0.99, 2.22, 29.39 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.96: QG2 VAL 105 + HB3 GLN 104 OK 88 89 100 100 4.2-5.5 10070/7494=72...(8) QG1 VAL 105 + HB3 GLN 104 OK 65 65 100 99 4.4-5.3 11516/1.8=73...(8) QG2 VAL 118 - HB3 GLN 104 far 0 76 0 - 6.6-8.8 QD2 LEU 53 - HB3 GLN 104 far 0 83 0 - 8.7-16.0 QG2 VAL 126 - HB3 GLN 104 far 0 76 0 - 8.9-12.3 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 1.9-4.3 11529=89, 10070/7495=64...(14) QG2 VAL 118 - HG2 GLN 104 far 0 97 0 - 6.4-7.9 QD1 LEU 69 - HG2 GLU 128 far 0 78 0 - 6.8-10.6 Violated in 0 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 3.2-4.7 10960=93, 11523/1.8=74...(27) QG1 VAL 118 - HG2 GLN 104 far 0 92 0 - 5.3-7.1 QD1 LEU 123 - HG2 GLU 128 far 0 74 0 - 6.9-9.6 QD1 LEU 49 - HG2 GLU 128 far 0 83 0 - 7.6-12.5 QD1 LEU 62 - HG2 GLN 104 far 0 100 0 - 8.3-10.0 QD1 LEU 49 - HG2 GLN 104 far 0 100 0 - 9.4-12.9 QD1 LEU 119 - HG2 GLN 104 far 0 65 0 - 9.4-11.3 Violated in 13 structures by 0.22 A. Peak 11441 from cnoeabs.peaks (0.78, 2.38, 34.44 ppm; 3.84 A): 2 out of 15 assignments used, quality = 1.00: QG1 VAL 63 + HG2 GLN 104 OK 99 99 100 100 3.0-4.5 9400=99, 2.1/11521=76...(22) QD1 LEU 103 + HG2 GLN 104 OK 23 100 25 93 2.8-6.7 2.1/11828=50, ~11827=30...(14) HG12 ILE 129 - HG2 GLU 128 poor 19 48 40 - 3.2-6.3 QD2 LEU 96 - HG2 GLU 128 far 0 45 0 - 5.0-8.0 QD2 LEU 122 - HG2 GLN 104 far 0 97 0 - 5.9-9.3 QD1 LEU 96 - HG2 GLU 128 far 0 82 0 - 6.7-9.5 QD2 LEU 122 - HG2 GLU 128 far 0 78 0 - 6.9-12.4 QG1 VAL 93 - HG2 GLU 128 far 0 48 0 - 7.2-9.1 QD1 LEU 96 - HG2 GLN 104 far 0 100 0 - 7.3-9.6 QD2 LEU 43 - HG2 GLU 128 far 0 58 0 - 7.7-9.3 QD2 LEU 119 - HG2 GLN 104 far 0 73 0 - 7.7-11.5 QD2 LEU 49 - HG2 GLU 128 far 0 62 0 - 8.0-12.3 QD1 LEU 53 - HG2 GLU 128 far 0 68 0 - 8.2-12.5 QD2 LEU 49 - HG2 GLN 104 far 0 83 0 - 8.6-11.7 QD2 LEU 96 - HG2 GLN 104 far 0 63 0 - 9.2-11.8 Violated in 9 structures by 0.04 A. Peak 11442 from cnoeabs.peaks (0.92, 2.47, 34.44 ppm; 3.75 A): 1 out of 6 assignments used, quality = 0.63: QG2 VAL 63 + HG3 GLN 104 OK 63 97 65 100 2.2-5.3 10961=83, 11521/1.8=78...(23) QG1 VAL 118 - HG3 GLN 104 far 0 81 0 - 6.1-7.8 QD1 LEU 62 - HG3 GLN 104 far 0 99 0 - 7.7-10.9 QD1 LEU 119 - HG3 GLN 104 far 0 81 0 - 9.4-12.3 QD1 LEU 22 - HG3 GLN 104 far 0 68 0 - 9.7-35.6 QD1 LEU 49 - HG3 GLN 104 far 0 99 0 - 10.0-12.9 Violated in 16 structures by 0.65 A. Peak 11443 from cnoeabs.peaks (0.79, 2.47, 34.44 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HG3 GLN 104 OK 100 100 100 100 2.0-4.1 9401=80, 2.1/11523=76...(20) QD1 LEU 103 + HG3 GLN 104 OK 22 100 25 89 2.6-7.4 ~11828=38, 3403/7496=29...(11) QD2 LEU 122 - HG3 GLN 104 far 0 100 0 - 6.2-10.1 QD1 LEU 122 - HG3 GLN 104 far 0 83 0 - 6.3-9.7 QD2 LEU 119 - HG3 GLN 104 far 0 93 0 - 7.2-12.6 QD1 LEU 96 - HG3 GLN 104 far 0 92 0 - 7.4-9.4 QD2 LEU 49 - HG3 GLN 104 far 0 97 0 - 7.9-11.2 QD1 LEU 53 - HG3 GLN 104 far 0 99 0 - 9.9-16.3 Violated in 10 structures by 0.09 A. Peak 11445 from cnoeabs.peaks (1.38, 2.19, 29.39 ppm; 6.70 A): 1 out of 7 assignments used, quality = 0.30: HB3 LEU 100 + HB2 GLN 104 OK 30 100 30 100 5.0-8.5 ~10025=86, ~10025=86...(15) QB ALA 108 - HB2 GLN 104 far 10 100 10 - 4.2-9.6 QB ALA 12 - HB2 GLN 104 far 4 81 5 - 7.2-39.7 QB ALA 110 - HB2 GLN 104 far 0 100 0 - 8.2-13.4 QB ALA 109 - HB2 GLN 104 far 0 99 0 - 8.6-11.8 QB ALA 15 - HB2 GLN 104 far 0 100 0 - 8.9-36.1 QB ALA 16 - HB2 GLN 104 far 0 73 0 - 9.5-36.2 Violated in 17 structures by 1.08 A. Peak 11446 from cnoeabs.peaks (0.65, 2.38, 34.44 ppm; 5.69 A): 2 out of 4 assignments used, quality = 0.92: QD1 ILE 129 + HG2 GLU 128 OK 74 74 100 100 2.4-5.0 9944/10446=79...(15) QD2 LEU 100 + HG2 GLN 104 OK 69 71 100 97 3.2-6.4 10974/9400=55...(12) QD2 LEU 62 - HG2 GLN 104 far 0 78 0 - 9.2-11.0 QD1 LEU 42 - HG2 GLU 128 far 0 62 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 11448 from cnoeabs.peaks (8.23, 0.96, 20.99 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.98: H SER 107 + QG1 VAL 105 OK 98 99 100 99 5.0-5.7 7543/7538=83...(9) H VAL 63 - QG1 VAL 105 far 0 71 0 - 8.8-10.3 H SER 107 - QG1 VAL 112 far 0 66 0 - 9.0-11.8 Violated in 9 structures by 0.13 A. Peak 11449 from cnoeabs.peaks (8.06, 1.00, 20.13 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.79: H LEU 103 + QG2 VAL 105 OK 71 71 100 100 3.4-4.2 3.6/10086=84...(14) H ALA 108 + QG2 VAL 105 OK 29 73 40 98 4.4-6.6 2.9/10084=62...(12) H ALA 109 - QG2 VAL 105 far 0 68 0 - 6.0-9.0 Violated in 0 structures by 0.00 A. Peak 11451 from cnoeabs.peaks (7.37, 1.00, 20.13 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.27: HE22 GLN 101 + QG2 VAL 105 OK 27 98 35 79 4.1-8.1 7439/10054=61...(4) Violated in 17 structures by 1.68 A. Peak 11452 from cnoeabs.peaks (7.29, 1.00, 20.13 ppm; 4.84 A): 0 out of 0 assignments used, quality = 0.00: Peak 11453 from cnoeabs.peaks (6.78, 1.00, 20.13 ppm; 5.58 A): 0 out of 1 assignment used, quality = 0.00: HE21 GLN 101 - QG2 VAL 105 poor 19 95 20 - 4.6-8.4 Violated in 18 structures by 1.52 A. Peak 11454 from cnoeabs.peaks (8.09, 4.19, 62.60 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.52: H ALA 108 + HA VAL 105 OK 52 99 55 95 3.6-7.7 7559/10081=69...(4) H ALA 109 - HA VAL 105 far 0 100 0 - 6.1-11.3 H LEU 103 - HA VAL 105 far 0 99 0 - 6.5-7.1 Violated in 16 structures by 1.07 A. Peak 11455 from cnoeabs.peaks (1.69, 1.00, 20.13 ppm; 4.28 A): 0 out of 3 assignments used, quality = 0.00: HG LEU 98 - QG2 VAL 105 far 0 85 0 - 7.2-10.4 HB2 LEU 70 - QG2 VAL 105 far 0 81 0 - 8.9-13.1 HB3 LEU 70 - QG2 VAL 105 far 0 73 0 - 8.9-12.8 Violated in 20 structures by 4.24 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 3.8-4.4 3.0/10086=81...(14) Violated in 8 structures by 0.02 A. Peak 11457 from cnoeabs.peaks (2.39, 1.00, 20.13 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.94: HG2 GLN 104 + QG2 VAL 105 OK 92 93 100 99 1.9-4.3 11439=58, 10085/2.1=52...(13) HG2 GLN 101 + QG2 VAL 105 OK 29 57 55 91 2.2-6.5 1.8/10054=57...(10) HG3 GLU 97 - QG2 VAL 105 far 0 65 0 - 8.4-11.3 Violated in 1 structures by 0.01 A. Peak 11458 from cnoeabs.peaks (4.45, 1.00, 20.13 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.99: HA SER 106 + QG2 VAL 105 OK 99 99 100 100 3.1-4.3 11466=99, 2.9/7539=86...(18) HA ASP 64 - QG2 VAL 105 far 0 99 0 - 9.9-11.6 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 7 assignments used, quality = 1.00: HB2 SER 106 + QG2 VAL 105 OK 99 100 100 100 3.0-4.7 3.0/11466=67, 10105=58...(17) HB3 SER 106 + QG2 VAL 105 OK 88 89 100 99 2.5-4.8 3.0/11466=67...(17) HB3 SER 107 - QG2 VAL 105 far 0 100 0 - 5.3-7.1 HA LEU 100 - QG2 VAL 105 far 0 100 0 - 5.7-6.7 HD3 PRO 117 - QG2 VAL 105 far 0 98 0 - 8.1-11.7 HA3 GLY 111 - QG2 VAL 105 far 0 90 0 - 8.3-13.9 HA2 GLY 111 - QG2 VAL 105 far 0 57 0 - 8.9-13.6 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 - 5.8-10.6 H GLY 111 - HA SER 106 far 0 100 0 - 7.0-11.9 Violated in 20 structures by 4.37 A. Peak 11461 from cnoeabs.peaks (8.06, 4.46, 58.89 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.88: H ALA 108 + HA SER 106 OK 84 85 100 99 3.0-5.3 2.9/11883=86...(11) H ALA 109 + HA SER 106 OK 24 81 35 85 4.1-7.9 3.7/11883=76...(7) H LEU 103 - HA SER 106 far 0 83 0 - 6.8-7.8 Violated in 2 structures by 0.03 A. Peak 11462 from cnoeabs.peaks (7.60, 3.97, 63.90 ppm; 6.29 A): 2 out of 3 assignments used, quality = 0.88: 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 57 62 100 93 4.4-6.5 7535/4.0=77...(6) H VAL 105 - HB3 SER 107 poor 13 53 95 25 4.3-7.3 4.7/7481=13, 3.6/1492=11 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 81 90 95 94 4.4-6.5 7535/4.0=81...(6) H VAL 105 + HB2 SER 106 OK 60 73 90 92 4.5-6.5 7535/4.0=81...(4) H VAL 105 - HB3 SER 107 poor 5 37 65 20 4.3-7.3 7499/7481=11, 3.6/1493=9 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 4 assignments used, quality = 0.81: QB ALA 108 + HA SER 106 OK 81 93 90 97 3.2-6.6 11883=67, 10101/7546=43...(11) QB ALA 109 - HA SER 106 far 13 87 15 - 3.3-8.8 QB ALA 110 - HA SER 106 far 5 96 5 - 4.1-11.0 QB ALA 12 - HA SER 106 far 0 97 0 - 9.9-46.4 Violated in 8 structures by 0.28 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 3.1-4.3 11530=93, 7539/2.9=65...(17) QG2 VAL 118 - HA SER 106 far 0 99 0 - 5.3-8.4 Violated in 4 structures by 0.05 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 - 6.5-9.1 QG1 VAL 118 - HA SER 106 far 0 100 0 - 6.5-9.4 QG2 VAL 112 - HA SER 106 far 0 68 0 - 6.7-10.9 QD1 LEU 62 - HA SER 106 far 0 90 0 - 9.2-12.5 Violated in 20 structures by 1.98 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 5 99 5 - 5.5-8.8 Violated in 19 structures by 2.07 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 - 4.8-13.5 QG2 THR 115 - HB2 SER 106 far 4 76 5 - 5.6-13.0 QG2 THR 115 - HB3 SER 106 far 0 46 0 - 6.1-12.2 HB3 LEU 62 - HB3 SER 107 far 0 98 0 - 6.5-13.1 HB3 LEU 62 - HB3 SER 106 far 0 43 0 - 9.2-13.7 HB3 LEU 62 - HB2 SER 106 far 0 72 0 - 9.5-14.3 Violated in 19 structures by 1.42 A. Peak 11473 from cnoeabs.peaks (2.06, 3.96, 63.62 ppm; 5.28 A): 0 out of 18 assignments used, quality = 0.00: HB2 GLU 102 - HB2 SER 106 poor 18 45 60 69 3.9-7.6 1.8/2130=17, ~2130=14...(11) HB VAL 118 - HB3 SER 106 poor 18 46 40 - 5.2-9.4 HB2 GLU 102 - HB3 SER 106 poor 12 25 80 62 3.6-8.8 1.8/2130=17, 4.6/7463=17...(9) HB VAL 118 - HB3 SER 107 far 10 100 10 - 4.4-12.5 HB VAL 118 - HB2 SER 106 far 8 76 10 - 3.9-10.2 HB2 LEU 62 - HB3 SER 107 far 5 100 5 - 5.5-11.9 QE MET 11 - HB3 SER 107 far 5 92 5 - 5.8-43.1 HG2 PRO 117 - HB2 SER 106 far 4 76 5 - 5.8-11.0 HB2 GLU 102 - HB3 SER 107 far 0 68 0 - 6.4-12.4 HG2 PRO 117 - HB3 SER 106 far 0 46 0 - 6.8-11.6 HG3 PRO 117 - HB2 SER 106 far 0 75 0 - 7.0-12.4 HG3 PRO 117 - HB3 SER 106 far 0 45 0 - 7.3-12.6 HG2 PRO 58 - HB3 SER 107 far 0 60 0 - 7.5-13.8 HG2 PRO 117 - HB3 SER 107 far 0 100 0 - 7.6-16.0 HG3 PRO 58 - HB3 SER 107 far 0 90 0 - 8.2-14.4 HB2 LEU 62 - HB3 SER 106 far 0 46 0 - 8.4-12.7 HB2 LEU 62 - HB2 SER 106 far 0 76 0 - 8.8-13.9 HG3 PRO 117 - HB3 SER 107 far 0 100 0 - 8.8-17.4 Violated in 3 structures by 0.06 A. Peak 11475 from cnoeabs.peaks (6.59, 4.39, 58.42 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.93: HD21 ASN 59 + HA SER 107 OK 93 99 95 99 2.3-6.7 11786=79, 11482/7555=69...(10) Violated in 6 structures by 0.17 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 - 6.3-10.8 Violated in 20 structures by 3.96 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 5.3-6.7 11492/2.1=94...(7) Violated in 4 structures by 0.02 A. Peak 11488 from cnoeabs.peaks (0.79, 1.38, 19.17 ppm; 3.10 A): 1 out of 37 assignments used, quality = 0.82: QD1 ILE 32 + QB ALA 29 OK 82 84 100 97 1.8-3.2 3.2/10790=42...(23) QD1 ILE 32 - QB ALA 28 far 4 86 5 - 3.8-6.0 QD1 LEU 103 - QB ALA 109 far 0 81 0 - 4.3-7.8 QD2 LEU 119 - QB ALA 109 far 0 86 0 - 4.3-8.3 QD1 LEU 103 - QB ALA 110 far 0 95 0 - 4.4-10.6 QD1 LEU 103 - QB ALA 108 far 0 96 0 - 4.4-8.2 QD2 LEU 119 - QB ALA 108 far 0 99 0 - 5.0-10.1 QD2 LEU 119 - QB ALA 110 far 0 99 0 - 5.1-11.7 QG1 VAL 63 - QB ALA 108 far 0 97 0 - 5.4-9.8 QD2 LEU 122 - QB ALA 108 far 0 99 0 - 5.6-13.2 QD1 ILE 32 - QB ALA 15 far 0 88 0 - 5.8-20.7 QD1 ILE 37 - QB ALA 29 far 0 88 0 - 5.9-9.7 QG1 VAL 63 - QB ALA 110 far 0 96 0 - 5.9-12.0 QD2 LEU 122 - QB ALA 109 far 0 86 0 - 6.4-12.2 QG1 VAL 63 - QB ALA 15 far 0 96 0 - 6.8-29.2 QG1 VAL 63 - QB ALA 29 far 0 93 0 - 6.9-19.9 QD2 LEU 49 - QB ALA 29 far 0 98 0 - 7.7-20.1 QG1 VAL 63 - QB ALA 109 far 0 82 0 - 7.7-10.1 QD1 LEU 122 - QB ALA 108 far 0 95 0 - 7.7-12.1 QG1 VAL 63 - QB ALA 28 far 0 94 0 - 7.8-21.3 QD1 LEU 122 - QB ALA 109 far 0 79 0 - 7.9-11.4 QD1 LEU 70 - QB ALA 15 far 0 70 0 - 8.0-28.5 QD2 LEU 122 - QB ALA 110 far 0 99 0 - 8.1-14.2 QD1 LEU 70 - QB ALA 29 far 0 67 0 - 8.3-18.7 QD1 ILE 37 - QB ALA 15 far 0 91 0 - 8.4-23.3 QD1 LEU 122 - QB ALA 110 far 0 94 0 - 8.4-14.1 QD1 LEU 96 - QB ALA 108 far 0 78 0 - 8.6-14.0 QD1 LEU 53 - QB ALA 109 far 0 88 0 - 8.7-15.3 QD2 LEU 49 - QB ALA 110 far 0 100 0 - 8.8-15.9 QD1 LEU 70 - QB ALA 108 far 0 71 0 - 9.5-15.8 QD1 ILE 37 - QB ALA 28 far 0 89 0 - 9.6-12.1 QD1 LEU 53 - QB ALA 108 far 0 100 0 - 9.7-15.3 QD1 LEU 96 - QB ALA 29 far 0 74 0 - 9.7-20.2 QD2 LEU 49 - QB ALA 108 far 0 100 0 - 9.8-14.6 QD2 LEU 49 - QB ALA 28 far 0 99 0 - 9.8-21.9 QD1 LEU 96 - QB ALA 109 far 0 63 0 - 9.9-13.9 QD1 LEU 122 - QB ALA 29 far 0 91 0 - 10.0-21.7 Violated in 7 structures by 0.02 A. Peak 11489 from cnoeabs.peaks (8.18, 8.17, 67.59 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 11490 from cnoeabs.peaks (8.03, 8.34, 62.67 ppm; 4.24 A): 0 out of 0 assignments used, quality = 0.00: Peak 11491 from cnoeabs.peaks (8.56, 0.92, 20.16 ppm; 4.22 A): 0 out of 1 assignment used, quality = 0.00: H GLY 114 - QG2 VAL 112 far 0 99 0 - 6.3-7.2 Violated in 20 structures by 2.61 A. Peak 11492 from cnoeabs.peaks (8.56, 0.97, 20.69 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.75: H GLY 114 + QG1 VAL 112 OK 75 100 75 100 4.4-6.2 11518=89, 7591/11507=76...(12) Violated in 11 structures by 0.41 A. Peak 11493 from cnoeabs.peaks (4.29, 0.92, 20.16 ppm; 4.27 A): 3 out of 5 assignments used, quality = 0.97: HA ALA 109 + QG2 VAL 112 OK 89 93 95 100 2.2-6.5 11771=100, 2.1/11548=64...(12) HB THR 115 + QG2 VAL 112 OK 62 89 70 100 3.8-5.8 2.1/11553=93...(17) HA ALA 110 + QG2 VAL 112 OK 41 99 50 84 3.4-5.6 2.1/11540=40...(9) HA ALA 108 - QG2 VAL 112 far 0 93 0 - 5.4-7.5 HA GLN 61 - QG2 VAL 112 far 0 97 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 11494 from cnoeabs.peaks (1.93, 4.42, 59.99 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 113 + HA VAL 112 OK 100 100 100 100 4.3-4.5 2.3/3569=95, 2.3/3567=94...(40) HB2 PRO 113 + HA VAL 112 OK 89 89 100 100 4.8-4.8 3.0/3569=86, 3.0/3567=84...(42) HB2 PRO 58 - HA VAL 112 far 0 78 0 - 6.6-11.3 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 = 0.92: HG2 PRO 113 + QG1 VAL 112 OK 81 81 100 100 3.9-4.1 2.3/10125=84...(38) HB2 PRO 113 + QG1 VAL 112 OK 60 100 60 100 4.6-5.1 3.0/10125=73...(42) HB2 MET 11 - QG1 VAL 105 far 3 62 5 - 3.6-45.1 Violated in 0 structures by 0.00 A. Peak 11496 from cnoeabs.peaks (1.39, 0.92, 20.16 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 109 + QG2 VAL 112 OK 94 100 95 99 1.7-5.6 10732=68, 2.1/11771=61...(16) QB ALA 110 + QG2 VAL 112 OK 45 100 55 82 1.8-5.0 10732=31, 4.8/10661=22...(10) QB ALA 108 - QG2 VAL 112 far 0 100 0 - 4.9-6.1 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 1 assignment used, quality = 1.00: QG2 THR 115 + HB VAL 112 OK 100 100 100 100 1.8-2.4 10185=87, 11499/2.1=85...(18) 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 3.9-4.7 11553/3557=84...(19) 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 1.8-3.0 10194=77, 11553/2.1=60...(19) QG2 THR 115 - QG1 VAL 105 far 0 69 0 - 9.3-13.9 HB3 LEU 62 - QG1 VAL 105 far 0 64 0 - 10.0-11.5 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 2.6-3.4 11499/2.1=69...(15) HB3 LEU 62 - QG2 VAL 112 far 0 97 0 - 9.2-11.8 Violated in 4 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 2.7-3.2 11557/1.8=91, 10124=89...(34) QG2 VAL 118 + HD3 PRO 117 OK 37 39 100 94 3.3-3.7 4.0/7638=39...(12) QG1 VAL 112 - HD3 PRO 117 far 0 64 0 - 5.6-9.3 QD2 LEU 53 - HD3 PRO 117 far 0 63 0 - 7.9-11.9 QD2 LEU 53 - HD3 PRO 113 far 0 92 0 - 8.0-12.3 QG2 VAL 105 - HD3 PRO 117 far 0 51 0 - 8.1-11.7 QG2 VAL 118 - HD3 PRO 113 far 0 63 0 - 8.3-13.0 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 3 assignments used, quality = 0.93: QG1 VAL 112 + HD2 PRO 113 OK 93 93 100 100 1.7-1.9 10125=90, 10124/1.8=79...(35) QD2 LEU 53 - HD2 PRO 113 far 0 92 0 - 9.0-12.7 QG2 VAL 118 - HD2 PRO 113 far 0 63 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 11506 from cnoeabs.peaks (0.93, 4.37, 63.85 ppm; 4.72 A): 2 out of 5 assignments used, quality = 0.96: QD1 LEU 119 + HA PRO 113 OK 94 97 100 96 2.5-5.5 10160/7591=86...(7) QG2 VAL 112 + HA PRO 113 OK 30 99 30 100 5.5-5.8 10137/3.6=74...(13) QG1 VAL 57 - HA PRO 113 far 9 89 10 - 5.2-10.5 QD1 LEU 62 - HA PRO 113 lone 1 87 25 4 4.9-7.9 10165/10150=2, 10163/11516=1 QG2 VAL 63 - HA PRO 113 far 0 81 0 - 8.7-12.2 Violated in 6 structures by 0.04 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 4.0-5.0 10125/3.6=78...(13) QG1 VAL 57 - HA PRO 113 far 7 65 10 - 5.2-10.5 QD2 LEU 53 - HA PRO 113 far 0 98 0 - 5.9-10.3 Violated in 8 structures by 0.08 A. Peak 11508 from cnoeabs.peaks (4.43, 2.27, 31.81 ppm; 5.86 A): 2 out of 6 assignments used, quality = 0.99: HA VAL 112 + HB3 PRO 113 OK 99 99 100 100 5.5-5.6 3566/3.0=99, 3568/3.0=99...(43) HA THR 115 + HB3 PRO 113 OK 31 63 50 99 5.4-7.6 ~10189=62, ~10189=55...(13) HA MET 11 - HB VAL 105 far 4 83 5 - 6.4-53.3 HA PRO 58 - HB3 PRO 113 far 3 68 5 - 6.0-12.9 HA THR 54 - HB3 PRO 113 far 0 100 0 - 7.0-11.7 HA ASN 120 - HB3 PRO 113 far 0 100 0 - 9.6-13.0 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 4.3-4.5 3569/2.3=100...(40) HA THR 115 - HG2 PRO 113 far 0 81 0 - 6.4-9.2 HA THR 54 - HG2 PRO 113 far 0 100 0 - 7.8-14.1 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 11 assignments used, quality = 1.00: HA VAL 112 + HG3 PRO 113 OK 100 100 100 100 4.3-4.5 3566/2.3=100...(37) HA THR 115 + HG3 PRO 113 OK 48 87 55 100 4.7-7.9 3.0/10189=81, 11939=70...(12) HA THR 115 - HG3 PRO 117 poor 13 67 20 - 5.2-8.7 HA THR 115 - HG2 PRO 117 far 7 73 10 - 6.3-8.9 HA HIS 5 - HG2 PRO 117 far 0 87 0 - 7.0-72.1 HA VAL 112 - HG3 PRO 58 far 0 59 0 - 7.5-12.5 HA ASN 120 - HB2 GLN 127 far 0 66 0 - 7.8-9.9 HA HIS 5 - HG3 PRO 117 far 0 81 0 - 8.0-73.9 HA ASN 120 - HG2 PRO 117 far 0 88 0 - 8.8-9.2 HA THR 54 - HG3 PRO 113 far 0 100 0 - 8.9-13.6 HA ASN 120 - HG3 PRO 117 far 0 82 0 - 9.5-10.1 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 2.7-4.0 10130=100, 2.1/10125=86...(39) HB2 PRO 56 - HD2 PRO 113 far 4 83 5 - 4.3-9.4 HB VAL 57 - HD2 PRO 113 far 0 68 0 - 9.1-12.9 Violated in 3 structures by 0.00 A. Peak 11512 from cnoeabs.peaks (2.13, 3.94, 50.95 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.95: HB VAL 112 + HD3 PRO 113 OK 95 95 100 100 4.0-4.9 2.1/10124=92, 10129=91...(38) HB2 PRO 56 - HD3 PRO 113 lone 0 100 35 1 3.1-9.0 HB VAL 112 - HD3 PRO 117 far 0 66 0 - 5.2-9.8 HB3 GLN 61 - HD3 PRO 113 far 0 57 0 - 9.4-13.5 Violated in 15 structures by 0.33 A. Peak 11515 from cnoeabs.peaks (4.37, 4.12, 45.18 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 113 + HA3 GLY 114 OK 100 100 100 100 4.3-4.7 7591/2.9=88, 10150=80...(10) HA THR 115 + HA3 GLY 114 OK 68 68 100 100 4.4-5.0 3.0/7604=74, 5.0=58...(13) HA PRO 117 - HA3 GLY 114 far 10 99 10 - 4.8-8.5 HA SER 107 - HA3 GLY 114 far 0 95 0 - 8.8-15.8 Violated in 1 structures by 0.00 A. Peak 11516 from cnoeabs.peaks (4.37, 3.88, 45.18 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.95: HA PRO 113 + HA2 GLY 114 OK 89 100 90 99 4.3-4.8 7591/2.9=80...(10) HA THR 115 + HA2 GLY 114 OK 60 60 100 100 4.3-4.7 3.0/7603=65...(14) HA PRO 117 - HA2 GLY 114 far 0 100 0 - 5.8-9.4 HA SER 107 - HA2 GLY 114 far 0 90 0 - 7.1-15.8 Violated in 20 structures by 0.09 A. Peak 11520 from cnoeabs.peaks (8.37, 4.40, 61.68 ppm; 4.67 A): 0 out of 0 assignments used, quality = 0.00: Peak 11521 from cnoeabs.peaks (8.36, 4.27, 69.69 ppm; 5.41 A): 0 out of 0 assignments used, quality = 0.00: Peak 11522 from cnoeabs.peaks (4.12, 4.40, 61.68 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: HA3 GLY 114 + HA THR 115 OK 100 100 100 100 4.4-5.0 5.0=97, 1.8/10175=95...(13) Violated in 1 structures by 0.00 A. Peak 11523 from cnoeabs.peaks (0.96, 4.40, 61.68 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.77: QD1 LEU 119 + HA THR 115 OK 55 73 75 100 4.0-6.9 11623=62, 10230/3638=46...(13) QG1 VAL 112 + HA THR 115 OK 50 100 50 100 3.9-6.0 11499/3645=88...(24) QD2 LEU 53 - HA THR 115 far 0 100 0 - 7.0-13.0 Violated in 5 structures by 0.14 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 3.6-4.6 10295/3.0=82...(32) QG1 VAL 112 - HA ASN 116 far 8 83 10 - 4.5-7.5 QG2 VAL 112 - HA ASN 116 far 7 73 10 - 3.5-8.1 QD2 LEU 53 - HA ASN 116 far 0 85 0 - 7.3-11.4 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 2 assignments used, quality = 0.90: HB3 LEU 119 + HB2 ASN 116 OK 90 100 90 100 4.1-9.0 2.9/10225=95...(26) HB3 LEU 123 - HB2 ASN 116 far 0 99 0 - 9.0-12.6 Violated in 7 structures by 0.40 A. Peak 11527 from cnoeabs.peaks (2.04, 2.85, 38.95 ppm; 6.32 A): 3 out of 6 assignments used, quality = 1.00: HG3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 5.5-7.1 2.3/10207=98, ~10239=85...(27) HG2 PRO 117 + HB2 ASN 116 OK 99 99 100 100 5.0-6.7 2.3/10207=98, ~10239=85...(29) HB VAL 118 + HB2 ASN 116 OK 97 97 100 100 3.5-5.6 10199/7615=84, ~10276=70...(17) HB2 LEU 62 - HB2 ASN 116 poor 19 97 20 - 6.4-10.3 HG3 PRO 113 - HB2 ASN 116 poor 13 92 25 56 6.2-10.9 11939/10174=42...(3) HB VAL 63 - HB2 ASN 116 far 0 73 0 - 10.0-13.5 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 = 1.00: QG2 VAL 118 + HB3 PRO 117 OK 100 100 100 100 3.8-4.6 10272/2.3=75...(20) QG2 VAL 105 - HB VAL 63 far 0 42 0 - 7.5-9.2 QG2 VAL 118 - HB VAL 63 far 0 43 0 - 8.4-10.0 QG2 VAL 105 - HB3 PRO 117 far 0 100 0 - 9.8-12.4 Violated in 3 structures by 0.02 A. Peak 11529 from cnoeabs.peaks (1.13, 2.05, 27.30 ppm; 5.39 A): 4 out of 11 assignments used, quality = 0.99: QG2 THR 115 + HG3 PRO 113 OK 84 84 100 100 2.6-6.1 2.1/10189=83...(10) QG1 VAL 132 + HG3 ARG 135 OK 65 65 100 100 2.1-4.6 11659/2.9=86...(42) QG2 VAL 132 + HG3 ARG 135 OK 64 64 100 100 3.6-5.5 3.2/10526=71, ~10527=63...(44) HG2 LYS 39 + HG3 PRO 81 OK 27 100 60 46 3.1-10.2 11778/10574=23...(9) QG2 THR 115 - HG3 PRO 117 poor 20 100 20 - 5.7-7.5 QG1 VAL 132 - HG3 PRO 81 far 15 100 15 - 5.5-8.1 HG3 LYS 39 - HG3 PRO 81 poor 13 73 40 43 4.2-11.8 11680/10574=21...(8) QG2 THR 115 - HG2 PRO 117 far 10 100 10 - 6.2-7.2 HG2 LYS 39 - HG3 ARG 135 far 0 65 0 - 7.6-11.6 QG2 VAL 132 - HG3 PRO 81 far 0 99 0 - 7.9-10.6 HG3 LYS 39 - HG3 ARG 135 far 0 41 0 - 8.2-12.5 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 12 assignments used, quality = 0.99: QG2 VAL 118 + HG3 PRO 117 OK 87 89 100 98 4.3-4.9 11590/2.3=67...(16) QG2 VAL 118 + HG2 PRO 117 OK 86 88 100 98 2.7-3.5 11590/2.3=67...(18) QG1 VAL 112 + HG3 PRO 113 OK 53 53 100 100 3.0-3.5 11557/2.3=76...(40) QG1 VAL 112 - HG3 PRO 117 far 0 71 0 - 6.9-11.1 QG1 VAL 112 - HG2 PRO 117 far 0 70 0 - 7.4-11.1 QD2 LEU 53 - HG3 PRO 113 far 0 51 0 - 8.1-13.1 QG2 VAL 105 - HG2 PRO 117 far 0 96 0 - 8.1-11.4 QD2 LEU 53 - HG2 PRO 117 far 0 67 0 - 8.3-11.9 QD2 LEU 53 - HG3 PRO 117 far 0 68 0 - 9.0-12.4 QG2 VAL 105 - HG3 PRO 117 far 0 97 0 - 9.2-12.8 QG2 VAL 118 - HG3 PRO 113 far 0 69 0 - 9.7-13.2 QD1 LEU 69 - HG3 ARG 135 far 0 53 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 11531 from cnoeabs.peaks (7.00, 2.06, 31.53 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.92: HD21 ASN 116 + HB VAL 118 OK 92 92 100 100 1.9-5.3 ~10278=93, 11532/2.1=92...(15) 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 1.8-5.4 1.7/10278=100...(11) 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 1 assignment used, quality = 0.95: HD21 ASN 121 + QG2 VAL 118 OK 95 95 100 100 3.2-4.9 1.7/10332=99...(33) Violated in 0 structures by 0.00 A. Peak 11534 from cnoeabs.peaks (8.28, 1.01, 22.19 ppm; 5.30 A): 1 out of 6 assignments used, quality = 0.98: H SER 99 + QG2 VAL 118 OK 98 99 100 100 4.6-6.1 2.9/10271=89...(10) H ALA 110 - QG2 VAL 118 far 4 89 5 - 6.0-11.7 H GLY 111 - QG2 VAL 118 far 4 85 5 - 5.5-11.5 H LEU 123 - QG2 VAL 118 far 0 73 0 - 6.5-7.5 H LEU 96 - QG2 VAL 118 far 0 98 0 - 8.1-10.2 H VAL 126 - QG2 VAL 118 far 0 99 0 - 8.7-10.2 Violated in 14 structures by 0.33 A. Peak 11535 from cnoeabs.peaks (7.91, 0.90, 21.66 ppm; 4.26 A): 2 out of 5 assignments used, quality = 0.93: H GLN 104 + QG1 VAL 118 OK 75 95 85 93 4.0-5.5 3.6/11836=43...(9) HD22 ASN 116 + QG1 VAL 118 OK 72 99 75 97 3.3-5.9 10278/2.1=63...(14) H SER 106 - QG1 VAL 118 far 5 97 5 - 5.0-7.5 H THR 115 - QG1 VAL 118 far 0 100 0 - 7.1-9.8 H VAL 112 - QG1 VAL 118 far 0 71 0 - 7.7-10.8 Violated in 5 structures by 0.08 A. Peak 11537 from cnoeabs.peaks (4.04, 0.90, 21.66 ppm; 3.74 A): 3 out of 10 assignments used, quality = 0.98: HA LEU 119 + QG1 VAL 118 OK 87 95 100 92 3.1-3.6 ~7648=32, ~3753=31...(16) HA LEU 103 + QG1 VAL 118 OK 78 78 100 99 2.5-4.5 11836=46, 3.0/11705=39...(16) HA LEU 122 + QG1 VAL 118 OK 27 97 30 92 4.0-5.5 2.9/11748=44...(13) HA GLU 102 - QG1 VAL 118 far 5 96 5 - 4.5-6.5 HA LEU 96 - QG1 VAL 118 far 0 100 0 - 4.8-6.6 HA LYS 95 - QG1 VAL 118 far 0 85 0 - 7.4-9.0 HB THR 65 - QG1 VAL 118 far 0 65 0 - 7.6-9.3 HA SER 60 - QG1 VAL 118 far 0 60 0 - 7.6-9.1 HB3 SER 124 - QG1 VAL 118 far 0 98 0 - 7.6-9.2 HA ALA 92 - QG1 VAL 118 far 0 98 0 - 10.0-11.8 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 2.9-3.6 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 3.8-4.6 1.8/11601=89...(33) HB2 ASN 120 - QG1 VAL 118 far 5 90 5 - 5.7-7.3 HB3 ASN 120 - QG1 VAL 118 far 0 90 0 - 6.1-7.3 HB3 ASP 64 - QG1 VAL 118 far 0 89 0 - 9.8-10.9 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=90...(29) HB3 ASN 116 + QG2 VAL 118 OK 53 60 90 98 2.2-5.6 3.5/10278=65...(14) Violated in 0 structures by 0.00 A. Peak 11541 from cnoeabs.peaks (2.80, 1.01, 22.19 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.90: HB2 ASN 121 + QG2 VAL 118 OK 90 100 90 100 3.8-6.0 11602/2.1=73...(30) HB2 ASN 120 - QG2 VAL 118 far 0 100 0 - 5.7-7.9 HB3 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.1-8.0 Violated in 19 structures by 0.56 A. Peak 11542 from cnoeabs.peaks (4.38, 2.06, 31.53 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.33: HA PRO 117 + HB VAL 118 OK 33 93 35 100 5.4-5.7 10272/2.1=82...(10) HA SER 107 - HB VAL 118 far 0 99 0 - 5.7-10.6 HA PRO 113 - HB VAL 118 far 0 98 0 - 6.4-11.8 HA THR 115 - HB VAL 118 far 0 83 0 - 8.5-9.2 Violated in 20 structures by 0.95 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 4.6-5.6 11601/2.1=98...(30) Violated in 0 structures by 0.00 A. Peak 11544 from cnoeabs.peaks (2.82, 2.06, 31.53 ppm; 5.48 A): 1 out of 3 assignments used, quality = 0.32: HB2 ASN 121 + HB VAL 118 OK 32 90 35 100 5.0-7.3 11602/2.1=92...(30) HB2 ASN 120 - HB VAL 118 far 5 93 5 - 6.3-8.8 HB3 ASN 120 - HB VAL 118 far 0 93 0 - 6.4-8.5 Violated in 19 structures by 1.03 A. Peak 11545 from cnoeabs.peaks (2.22, 1.01, 22.19 ppm; 3.78 A): 1 out of 6 assignments used, quality = 0.91: HB3 GLU 102 + QG2 VAL 118 OK 91 96 95 100 2.1-4.8 11606/2.1=65...(20) HB3 GLN 104 - QG2 VAL 118 far 0 100 0 - 6.6-8.8 HB2 GLN 101 - QG2 VAL 118 far 0 97 0 - 6.9-8.8 HB2 GLN 104 - QG2 VAL 118 far 0 63 0 - 7.8-9.4 HB3 LEU 96 - QG2 VAL 118 far 0 85 0 - 8.4-10.5 HB3 GLU 97 - QG2 VAL 118 far 0 100 0 - 8.9-10.5 Violated in 12 structures by 0.25 A. Peak 11546 from cnoeabs.peaks (2.22, 0.90, 21.66 ppm; 4.17 A): 1 out of 6 assignments used, quality = 0.65: HB3 GLU 102 + QG1 VAL 118 OK 65 100 65 100 2.7-5.8 11545/2.1=79...(23) HB3 GLN 104 - QG1 VAL 118 far 0 100 0 - 5.3-7.9 HB2 GLN 101 - QG1 VAL 118 far 0 87 0 - 6.6-8.0 HB3 LEU 96 - QG1 VAL 118 far 0 96 0 - 6.9-8.6 HB3 GLU 97 - QG1 VAL 118 far 0 99 0 - 7.8-8.9 HB3 GLN 127 - QG1 VAL 118 far 0 100 0 - 9.7-12.6 Violated in 15 structures by 0.72 A. Peak 11547 from cnoeabs.peaks (0.78, 3.81, 65.23 ppm; 5.33 A): 4 out of 8 assignments used, quality = 0.99: QD1 LEU 103 + HA VAL 118 OK 80 100 80 100 3.9-7.1 10265/3749=98...(31) QD2 LEU 122 + HA VAL 118 OK 75 100 75 100 3.4-6.9 5.1/7718=47...(33) QD1 LEU 122 + HA VAL 118 OK 74 78 95 100 3.8-6.3 4.3/7718=54...(33) QD2 LEU 119 + HA VAL 118 OK 54 90 60 100 3.8-6.8 3789/3.5=65, 3790/4.9=64...(21) QD1 LEU 53 - HA VAL 118 far 0 98 0 - 6.5-10.0 QD1 LEU 96 - HA VAL 118 far 0 95 0 - 7.1-8.6 QD2 LEU 49 - HA VAL 118 far 0 96 0 - 7.7-10.4 QG1 VAL 63 - HA VAL 118 far 0 100 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 11548 from cnoeabs.peaks (0.78, 2.06, 31.53 ppm; 3.56 A): 3 out of 8 assignments used, quality = 0.96: QD1 LEU 103 + HB VAL 118 OK 90 100 90 100 1.8-5.6 10265/2.1=77, 10069=50...(30) QD2 LEU 119 + HB VAL 118 OK 44 81 60 92 2.5-5.8 2.1/10258=33...(16) QD2 LEU 122 + HB VAL 118 OK 35 99 40 89 3.3-7.4 11612/2.1=23...(28) QD1 LEU 122 - HB VAL 118 poor 16 65 25 - 3.5-6.4 QD1 LEU 53 - HB VAL 118 far 0 93 0 - 7.0-10.7 QD2 LEU 49 - HB VAL 118 far 0 89 0 - 7.7-10.5 QG1 VAL 63 - HB VAL 118 far 0 100 0 - 7.7-9.2 QD1 LEU 96 - HB VAL 118 far 0 99 0 - 7.8-9.0 Violated in 1 structures by 0.01 A. Peak 11549 from cnoeabs.peaks (0.79, 0.90, 21.66 ppm; 3.02 A): 4 out of 9 assignments used, quality = 1.00: QD1 LEU 103 + QG1 VAL 118 OK 97 99 100 99 1.7-3.8 10265/2.1=59...(29) QD2 LEU 122 + QG1 VAL 118 OK 57 100 65 88 1.7-5.1 5.1/11748=16...(29) QD1 LEU 122 + QG1 VAL 118 OK 51 89 70 83 1.8-4.4 4.3/11748=20...(27) QD2 LEU 119 + QG1 VAL 118 OK 36 97 45 83 2.8-5.2 3789/4.1=20...(16) QD1 LEU 53 - QG1 VAL 118 far 0 100 0 - 4.7-8.7 QD1 LEU 96 - QG1 VAL 118 far 0 87 0 - 4.8-5.9 QD2 LEU 49 - QG1 VAL 118 far 0 99 0 - 5.1-7.6 QG1 VAL 63 - QG1 VAL 118 far 0 99 0 - 5.6-6.5 QD1 LEU 70 - QG1 VAL 118 far 0 60 0 - 6.7-9.0 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 - 7.2-10.8 H SER 124 - HB3 LEU 119 far 0 100 0 - 7.3-8.6 Violated in 20 structures by 1.77 A. Peak 11552 from cnoeabs.peaks (8.26, 1.87, 40.68 ppm; 4.79 A): 0 out of 3 assignments used, quality = 0.00: H LEU 123 - HB3 LEU 119 far 15 100 15 - 5.1-6.7 H SER 107 - HB3 LEU 119 far 0 57 0 - 8.4-14.0 H VAL 126 - HB3 LEU 119 far 0 68 0 - 9.5-11.1 Violated in 20 structures by 1.02 A. Peak 11553 from cnoeabs.peaks (7.93, 0.94, 25.07 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.89: HD22 ASN 116 + QD1 LEU 119 OK 68 97 70 100 1.9-5.5 10222=92, 1.7/10218=66...(13) H THR 115 + QD1 LEU 119 OK 66 78 85 99 1.8-5.7 3.0/11623=58, 10166=55...(13) H VAL 112 - QD1 LEU 119 far 15 99 15 - 3.6-6.6 H SER 106 - QD1 LEU 119 far 0 63 0 - 7.8-11.6 H SER 124 - QD1 LEU 119 far 0 85 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 11554 from cnoeabs.peaks (2.96, 1.87, 40.68 ppm; 5.80 A): 2 out of 2 assignments used, quality = 0.73: HB3 ASN 116 + HB3 LEU 119 OK 59 65 90 100 3.9-8.0 1.8/10224=92, ~10294=77...(23) HB3 ASN 121 + HB3 LEU 119 OK 34 93 45 80 6.3-7.5 10299/7665=54...(6) Violated in 3 structures by 0.10 A. Peak 11556 from cnoeabs.peaks (4.40, 0.94, 25.07 ppm; 4.41 A): 2 out of 6 assignments used, quality = 0.86: HA THR 115 + QD1 LEU 119 OK 75 100 75 100 4.0-6.9 3.0/10296=69...(13) HA PRO 113 + QD1 LEU 119 OK 46 63 85 87 2.5-5.5 3.6/10160=62, 11506=29...(7) HA ASN 120 - QD1 LEU 119 poor 18 71 25 - 5.2-6.0 HA VAL 112 - QD1 LEU 119 far 12 78 15 - 4.5-7.6 HA SER 107 - QD1 LEU 119 far 5 96 5 - 4.6-10.4 HA THR 54 - QD1 LEU 119 far 0 73 0 - 5.8-9.0 Violated in 3 structures by 0.04 A. Peak 11557 from cnoeabs.peaks (2.06, 0.94, 25.07 ppm; 4.14 A): 2 out of 9 assignments used, quality = 0.82: HB VAL 118 + QD1 LEU 119 OK 68 99 70 99 2.7-5.3 7648/3797=50...(19) HB2 LEU 62 + QD1 LEU 119 OK 44 99 45 99 4.3-6.4 10951/3.0=47, ~10992=41...(31) HB VAL 57 - QD1 LEU 119 far 0 71 0 - 5.2-8.2 HG3 PRO 113 - QD1 LEU 119 far 0 100 0 - 5.8-7.9 HG2 PRO 117 - QD1 LEU 119 far 0 97 0 - 5.8-7.2 HG3 PRO 117 - QD1 LEU 119 far 0 93 0 - 6.4-7.8 HB3 GLU 55 - QD1 LEU 119 far 0 76 0 - 6.7-11.1 HB2 GLU 102 - QD1 LEU 119 far 0 89 0 - 7.3-11.4 HG3 PRO 58 - QD1 LEU 119 far 0 99 0 - 8.0-10.5 Violated in 11 structures by 0.11 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 2.6-6.2 10222/2.1=99...(18) H THR 115 + QD2 LEU 119 OK 72 97 75 100 3.3-7.4 10166/2.1=76, ~11623=65...(11) H VAL 112 + QD2 LEU 119 OK 20 85 65 37 4.4-8.7 11501/10195=29...(4) H GLN 104 - QD2 LEU 119 far 8 85 10 - 6.2-10.1 H SER 106 - QD2 LEU 119 far 0 89 0 - 7.1-11.6 Violated in 0 structures by 0.00 A. Peak 11559 from cnoeabs.peaks (8.45, 0.94, 25.07 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: H ASN 116 + QD1 LEU 119 OK 100 100 100 100 1.9-3.9 7616/10295=80...(20) 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 3.2-4.0 7738=100, 7704/3.6=58...(17) H VAL 126 - HA ASN 120 far 0 57 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 11561 from cnoeabs.peaks (2.80, 4.37, 64.81 ppm; 3.55 A): 2 out of 3 assignments used, quality = 0.86: HB3 ASN 120 + HA PRO 117 OK 78 100 80 98 3.1-5.6 11625=56, 10301/2.3=47...(12) HB2 ASN 120 + HA PRO 117 OK 34 100 35 98 3.3-5.9 1.8/11625=42...(14) HB2 ASN 121 - HA PRO 117 far 0 100 0 - 4.8-8.3 Violated in 3 structures by 0.08 A. Peak 11563 from cnoeabs.peaks (4.36, 2.80, 37.77 ppm; 3.97 A): 2 out of 8 assignments used, quality = 0.97: HA PRO 117 + HB3 ASN 120 OK 89 100 90 100 3.1-5.6 11968=74, 2.3/10301=60...(13) HA PRO 117 + HB2 ASN 120 OK 70 100 70 100 3.3-5.9 11968/1.8=70...(14) HA PRO 117 - HB2 ASN 121 far 5 99 5 - 4.8-8.3 HA CYS 125 - HB2 ASN 121 far 0 98 0 - 6.3-8.0 HA PRO 113 - HB2 ASN 120 far 0 98 0 - 7.4-14.0 HA PRO 113 - HB3 ASN 120 far 0 98 0 - 7.5-13.3 HA CYS 125 - HB3 ASN 120 far 0 99 0 - 9.0-11.2 HA CYS 125 - HB2 ASN 120 far 0 99 0 - 9.1-10.7 Violated in 1 structures by 0.06 A. Peak 11564 from cnoeabs.peaks (1.86, 4.42, 56.05 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 123 + HA ASN 120 OK 100 100 100 100 2.3-4.6 3927=100, 1.8/3813=88...(20) HB3 LEU 119 + HA ASN 120 OK 95 96 100 99 4.0-4.8 7665/2.9=72, ~7664=48...(19) 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 6 assignments used, quality = 0.71: QD2 LEU 123 + HA ASN 120 OK 71 95 75 100 2.2-5.3 2.1/11631=69, 11632=59...(21) QD1 LEU 62 - HA ASN 120 far 0 90 0 - 5.2-7.3 QD1 LEU 49 - HA ASN 120 far 0 92 0 - 6.0-10.2 QG1 VAL 118 - HA ASN 120 far 0 100 0 - 6.1-6.6 QG2 VAL 63 - HA ASN 120 far 0 95 0 - 9.4-11.4 QD2 LEU 69 - HA ASN 120 far 0 63 0 - 9.8-11.7 Violated in 12 structures by 0.48 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 1.9-3.6 3918=100, 1.8/3927=83...(20) HG LEU 119 - HA ASN 120 far 4 71 5 - 5.3-6.5 HG LEU 62 - HA ASN 120 far 0 100 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 11567 from cnoeabs.peaks (4.42, 1.57, 26.72 ppm; 5.35 A): 2 out of 7 assignments used, quality = 1.00: HA ASN 120 + HG LEU 123 OK 100 100 100 100 3.3-4.4 11565/2.1=98...(18) HA THR 54 + HG LEU 123 OK 45 100 45 100 4.5-8.9 9277/2.1=67, ~11510=66...(10) HA VAL 112 - HG LEU 103 far 0 87 0 - 7.9-13.4 HA ASN 120 - HG LEU 49 far 0 77 0 - 8.2-11.2 HA ASN 120 - HG LEU 103 far 0 87 0 - 8.7-12.2 HA THR 54 - HG LEU 49 far 0 77 0 - 9.1-12.9 HA ASP 71 - HG2 ARG 23 far 0 74 0 - 9.3-31.8 Violated in 0 structures by 0.00 A. Peak 11568 from cnoeabs.peaks (4.42, 0.93, 23.65 ppm; 4.92 A): 2 out of 6 assignments used, quality = 1.00: HA ASN 120 + QD1 LEU 123 OK 100 100 100 100 3.4-5.4 11565/2.1=94...(22) HA THR 54 + QD1 LEU 123 OK 45 100 45 99 5.2-8.2 ~11510=57, 9277=56...(8) HA ASN 120 - QD1 LEU 49 far 0 53 0 - 6.0-10.2 HA THR 54 - QD1 LEU 49 far 0 53 0 - 7.5-11.7 HA ASP 71 - QD1 LEU 49 far 0 52 0 - 9.0-12.4 HA THR 54 - QD2 LEU 48 far 0 43 0 - 9.2-9.7 Violated in 2 structures by 0.01 A. Peak 11569 from cnoeabs.peaks (4.41, 0.88, 25.36 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.98: HA ASN 120 + QD2 LEU 123 OK 95 95 100 100 2.2-5.3 11565=84, 11631/2.1=75...(21) HA THR 54 + QD2 LEU 123 OK 56 96 60 98 3.5-8.8 1698/11510=79, 9277=42...(10) HA THR 115 - QD2 LEU 123 far 0 97 0 - 9.0-14.4 Violated in 6 structures by 0.12 A. Peak 11571 from cnoeabs.peaks (0.78, 1.65, 41.23 ppm; 3.83 A): 2 out of 7 assignments used, quality = 0.91: QD1 LEU 53 + HB2 LEU 123 OK 88 97 95 95 3.2-4.9 11422/3.2=58, ~9254=32...(17) QD1 LEU 122 + HB2 LEU 123 OK 26 76 55 63 3.5-7.0 3899/3.9=27...(11) QD2 LEU 122 - HB2 LEU 123 far 5 100 5 - 4.3-7.0 QD2 LEU 119 - HB2 LEU 123 far 0 89 0 - 4.8-8.0 QD2 LEU 49 - HB2 LEU 123 far 0 95 0 - 5.4-8.2 QD1 LEU 96 - HB2 LEU 123 far 0 96 0 - 6.1-8.1 QD1 LEU 103 - HB2 LEU 123 far 0 100 0 - 6.8-10.9 Violated in 2 structures by 0.01 A. Peak 11573 from cnoeabs.peaks (4.22, 1.65, 41.23 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.88: HA SER 124 + HB2 LEU 123 OK 88 89 100 100 3.8-4.8 2.9/7763=78, ~7764=56...(17) HA SER 51 - HB2 LEU 123 far 0 99 0 - 8.0-10.4 HA GLU 128 - HB2 LEU 123 far 0 65 0 - 9.3-10.9 HA SER 99 - HB2 LEU 123 far 0 99 0 - 9.3-12.1 Violated in 7 structures by 0.05 A. Peak 11574 from cnoeabs.peaks (8.07, 0.88, 25.36 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.54: H ASN 120 + QD2 LEU 123 OK 34 99 35 100 4.6-7.1 2.9/11565=70, ~11631=47...(21) H CYS 125 + QD2 LEU 123 OK 30 68 45 99 4.7-6.3 3.4/7766=59, ~7765=39...(17) H LEU 48 - QD2 LEU 123 far 0 73 0 - 5.9-10.2 Violated in 18 structures by 0.36 A. Peak 11575 from cnoeabs.peaks (6.80, 0.88, 25.36 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.72: HE21 GLN 127 + QD2 LEU 123 OK 72 76 95 100 3.8-5.8 ~10434=75, 10431/2.1=63...(9) HD22 ASN 120 - QD2 LEU 123 poor 19 68 30 94 3.9-8.1 4.4/11565=57...(11) Violated in 12 structures by 0.17 A. Peak 11576 from cnoeabs.peaks (7.46, 0.93, 23.65 ppm; 4.70 A): 1 out of 6 assignments used, quality = 0.95: HE22 GLN 127 + QD1 LEU 123 OK 95 95 100 100 2.1-4.3 10434=87, 1.7/10431=84...(13) HE22 GLN 127 - QD1 LEU 49 poor 9 46 20 - 2.7-8.2 H LEU 62 - QD1 LEU 49 far 3 25 10 - 5.2-8.9 HE22 GLN 127 - QD2 LEU 48 far 0 37 0 - 7.9-11.1 H LEU 42 - QD1 LEU 49 far 0 35 0 - 8.4-12.0 H LEU 62 - QD1 LEU 123 far 0 60 0 - 9.9-11.4 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 7 assignments used, quality = 0.85: HE21 GLN 127 + QD1 LEU 123 OK 76 76 100 100 2.6-5.3 1.7/11576=99...(12) HD22 ASN 120 + QD1 LEU 123 OK 37 68 55 98 5.8-8.5 4.4/11631=82, ~10306=35...(11) QE TYR 72 - QD1 LEU 49 poor 15 49 30 - 5.7-9.4 HE21 GLN 127 - QD1 LEU 49 poor 8 34 25 - 3.9-9.6 HE21 GLN 127 - QD2 LEU 48 far 0 27 0 - 7.7-11.3 QE TYR 72 - QD2 LEU 48 far 0 39 0 - 7.9-9.0 HD22 ASN 120 - QD1 LEU 49 far 0 29 0 - 8.4-13.0 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 9 assignments used, quality = 1.00: HG3 GLN 127 + QD1 LEU 123 OK 100 100 100 100 1.8-3.4 10437=99, 1.8/11579=79...(19) HG3 GLN 127 - QD1 LEU 49 poor 13 52 25 - 2.8-8.0 HG2 GLU 55 - QD2 LEU 48 far 0 34 0 - 6.1-8.3 HG2 GLU 55 - QD1 LEU 49 far 0 43 0 - 6.5-12.6 HG2 GLU 55 - QD1 LEU 123 far 0 90 0 - 7.4-11.2 HG3 GLU 44 - QD2 LEU 48 far 0 21 0 - 7.8-9.0 HG3 GLN 127 - QD2 LEU 48 far 0 42 0 - 8.3-10.3 HG3 GLU 44 - QD1 LEU 49 far 0 27 0 - 8.4-11.5 HG3 GLN 104 - QD1 LEU 49 far 0 50 0 - 10.0-12.9 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 10 assignments used, quality = 1.00: HG2 GLN 127 + QD1 LEU 123 OK 100 100 100 100 1.9-3.7 10727=86, 1.8/10437=77...(19) HG2 GLN 127 - QD1 LEU 49 poor 10 52 20 - 3.1-7.3 HG2 GLU 128 - QD1 LEU 123 far 0 92 0 - 6.9-9.6 HG2 GLU 44 - QD2 LEU 48 far 0 28 0 - 7.5-9.8 HG2 GLU 128 - QD1 LEU 49 far 0 44 0 - 7.6-12.5 HG2 GLU 44 - QD1 LEU 49 far 0 35 0 - 8.5-10.8 HG2 GLN 127 - QD2 LEU 48 far 0 42 0 - 8.6-10.1 HG2 GLN 104 - QD1 LEU 49 far 0 35 0 - 9.4-12.9 HB2 PRO 117 - QD1 LEU 123 far 0 100 0 - 9.8-12.0 HG2 GLU 102 - QD1 LEU 49 far 0 53 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 11580 from cnoeabs.peaks (2.78, 0.88, 25.36 ppm; 4.91 A): 2 out of 5 assignments used, quality = 0.45: HB2 ASN 120 + QD2 LEU 123 OK 27 68 40 100 4.1-7.3 3.0/11565=76, ~11631=54...(31) HB3 ASN 120 + QD2 LEU 123 OK 24 68 35 100 4.2-7.7 3.0/11565=76, ~11631=54...(30) HB2 ASN 121 - QD2 LEU 123 far 0 73 0 - 7.6-8.5 HB2 ASP 131 - QD2 LEU 123 far 0 100 0 - 8.4-12.5 HB2 ASP 64 - QD2 LEU 123 far 0 73 0 - 10.0-14.1 Violated in 13 structures by 0.74 A. Peak 11581 from cnoeabs.peaks (2.48, 0.88, 25.36 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.93: HG3 GLN 127 + QD2 LEU 123 OK 93 97 95 100 1.9-5.9 11637/2.1=97...(21) HG2 GLU 55 - QD2 LEU 123 far 0 97 0 - 6.3-10.8 Violated in 1 structures by 0.05 A. Peak 11582 from cnoeabs.peaks (2.34, 0.88, 25.36 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.90: HG2 GLN 127 + QD2 LEU 123 OK 90 90 100 100 2.0-5.9 11638/2.1=88...(19) HG3 GLN 68 - QD2 LEU 123 far 0 92 0 - 8.7-13.4 HB2 PRO 117 - QD2 LEU 123 far 0 76 0 - 8.7-12.0 Violated in 7 structures by 0.21 A. Peak 11583 from cnoeabs.peaks (1.25, 0.88, 25.36 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.75: QG2 THR 54 + QD2 LEU 123 OK 75 99 85 89 1.8-6.3 9275=44, 11640/2.1=37...(11) QG2 THR 65 - QD2 LEU 123 far 0 87 0 - 4.6-8.4 Violated in 8 structures by 0.41 A. Peak 11584 from cnoeabs.peaks (1.25, 0.93, 23.65 ppm; 3.20 A): 3 out of 6 assignments used, quality = 0.85: QG2 THR 54 + QD1 LEU 123 OK 66 99 80 84 3.0-6.0 11510/2.1=60, 9275=31...(8) QG2 THR 65 + QD1 LEU 49 OK 37 39 100 96 1.8-4.0 9431/2.1=46...(22) QG2 THR 65 + QD2 LEU 48 OK 27 31 95 92 1.8-4.2 9441/2.1=36...(19) QG2 THR 54 - QD1 LEU 49 far 0 51 0 - 5.1-8.8 QG2 THR 65 - QD1 LEU 123 far 0 85 0 - 6.6-8.7 QG2 THR 54 - QD2 LEU 48 far 0 41 0 - 6.7-7.5 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 10 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 100 100 100 100 3.8-5.7 7766/2.9=90...(23) QD2 LEU 98 + HA SER 94 OK 86 87 100 98 4.2-5.7 11438/3.0=79...(5) QD1 LEU 98 + HA SER 94 OK 46 58 90 87 3.8-7.2 ~11438=58, 11469/4.9=39...(6) QD1 LEU 49 - HA SER 124 poor 15 76 20 - 5.1-9.5 QD2 LEU 69 - HA SER 124 far 0 83 0 - 8.2-10.0 QG1 VAL 118 - HA SER 124 far 0 97 0 - 8.7-10.0 QD2 LEU 69 - HA SER 94 far 0 75 0 - 9.0-10.8 QD1 LEU 62 - HA SER 124 far 0 73 0 - 9.0-11.8 QG1 VAL 118 - HA SER 94 far 0 91 0 - 9.7-11.0 QD2 LEU 98 - HA SER 124 far 0 95 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 11588 from cnoeabs.peaks (0.76, 4.24, 61.64 ppm; 5.70 A): 3 out of 10 assignments used, quality = 0.99: QG1 VAL 93 + HA SER 94 OK 89 89 100 100 2.8-3.2 2.1/9956=96, 7283/2.9=94...(23) QD2 LEU 96 + HA SER 94 OK 87 87 100 100 5.0-5.9 3098/7334=66...(11) QD1 LEU 96 + HA SER 94 OK 51 91 60 94 6.0-7.1 4.6/7313=50, ~9226=48...(8) QD2 LEU 122 - HA SER 124 poor 18 71 25 - 6.0-8.5 HG12 ILE 129 - HA SER 124 far 0 96 0 - 7.0-9.9 QD1 LEU 96 - HA SER 124 far 0 97 0 - 7.1-8.2 QD2 LEU 122 - HA SER 94 far 0 63 0 - 7.5-9.9 QD2 LEU 96 - HA SER 124 far 0 95 0 - 7.9-8.5 HG12 ILE 129 - HA SER 94 far 0 89 0 - 8.4-9.7 QD1 LEU 103 - HA SER 124 far 0 83 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11589 from cnoeabs.peaks (4.00, 4.35, 62.64 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.93: HB2 SER 124 + HA CYS 125 OK 93 98 100 95 4.0-4.3 11813=75, 7780/2.9=57...(5) HB3 SER 124 - HA CYS 125 far 0 71 0 - 5.3-5.6 HA LYS 95 - HA CYS 125 far 0 92 0 - 6.7-8.1 HB3 SER 99 - HA CYS 125 far 0 100 0 - 7.1-9.5 HA GLU 91 - HA CYS 125 far 0 73 0 - 8.5-10.0 HA SER 50 - HA CYS 125 far 0 99 0 - 9.7-10.8 Violated in 11 structures by 0.06 A. Peak 11590 from cnoeabs.peaks (4.20, 4.35, 62.64 ppm; 4.38 A): 0 out of 4 assignments used, quality = 0.00: HA GLU 128 - HA CYS 125 far 5 99 5 - 5.3-6.3 HA ALA 88 - HA CYS 125 far 0 100 0 - 8.9-10.7 HA SER 94 - HA CYS 125 far 0 60 0 - 9.1-10.2 HA SER 99 - HA CYS 125 far 0 93 0 - 9.7-11.2 Violated in 20 structures by 1.25 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 - 5.7-9.3 HD3 LYS 95 - HA CYS 125 far 14 95 15 - 5.4-9.3 HB2 LEU 123 - HA CYS 125 far 0 100 0 - 7.1-7.7 QB ALA 88 - HA CYS 125 far 0 92 0 - 7.3-9.5 HB2 LEU 98 - HA CYS 125 far 0 99 0 - 8.4-12.1 HB2 LEU 69 - HA CYS 125 far 0 76 0 - 9.2-11.7 Violated in 16 structures by 0.31 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 86 87 100 99 4.5-5.8 ~11448=52, 11658/3.0=42...(14) HB2 LYS 95 + HA CYS 125 OK 81 81 100 100 4.1-5.9 9948/10376=87, ~11448=52...(14) HG LEU 53 - HA CYS 125 far 0 78 0 - 9.0-12.8 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 3.6-5.6 11698=100, 1.8/11647=99...(15) HG3 GLU 97 - HA CYS 125 far 0 100 0 - 8.6-11.4 Violated in 1 structures by 0.01 A. Peak 11594 from cnoeabs.peaks (2.36, 4.35, 62.64 ppm; 6.17 A): 1 out of 2 assignments used, quality = 0.97: HG2 GLU 128 + HA CYS 125 OK 97 97 100 100 2.0-6.0 1.8/11648=100...(16) HG2 GLN 127 - HA CYS 125 far 15 98 15 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 11595 from cnoeabs.peaks (1.63, 2.74, 27.12 ppm; 5.10 A): 1 out of 6 assignments used, quality = 0.52: HB2 LEU 122 + HB2 CYS 125 OK 52 87 60 100 3.9-7.1 11656/1.8=90...(21) HG LEU 122 - HB2 CYS 125 poor 20 78 25 - 4.8-7.6 HD2 LYS 95 - HB2 CYS 125 poor 13 65 20 - 5.5-8.0 HB2 LEU 123 - HB2 CYS 125 far 0 76 0 - 6.2-8.2 HB2 LEU 98 - HB2 CYS 125 far 0 71 0 - 6.5-10.0 HG LEU 70 - HB2 CYS 125 far 0 92 0 - 8.8-10.5 Violated in 15 structures by 0.68 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 88 89 100 99 3.2-5.5 11597/1.8=49, ~11448=49...(14) HB3 LYS 95 + HB2 CYS 125 OK 82 83 100 99 3.7-5.2 ~11448=49, 11597/1.8=46...(14) HB3 LEU 123 - HB2 CYS 125 far 0 47 0 - 6.7-8.9 HB3 LEU 49 - HB2 CYS 125 far 0 100 0 - 8.0-10.9 HG LEU 53 - HB2 CYS 125 far 0 90 0 - 8.8-13.7 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 6 assignments used, quality = 0.92: HB2 LYS 95 + HB3 CYS 125 OK 73 93 80 98 4.3-6.3 3.0/11448=42...(16) HB3 LYS 95 + HB3 CYS 125 OK 69 89 80 98 4.3-5.7 3.0/11448=42...(15) HB3 LEU 123 - HB3 CYS 125 far 0 42 0 - 6.5-8.4 HB3 LEU 49 - HB3 CYS 125 far 0 99 0 - 7.0-11.5 HG LEU 53 - HB3 CYS 125 far 0 95 0 - 7.2-12.3 HB3 ARG 90 - HB3 CYS 125 far 0 63 0 - 9.4-12.8 Violated in 5 structures by 0.09 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 3.8-4.1 7855/4006=84...(21) H GLN 68 - HA VAL 126 far 0 71 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 11599 from cnoeabs.peaks (8.44, 0.96, 22.68 ppm; 5.57 A): 2 out of 3 assignments used, quality = 0.93: H ASP 47 + QG1 VAL 126 OK 89 89 100 100 4.1-4.9 3.7/10409=96...(12) H LEU 70 + QG1 VAL 126 OK 34 71 95 50 5.4-6.5 11250/11676=33, 3.6/10395=24 H VAL 93 - QG1 VAL 126 far 0 99 0 - 7.3-8.0 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 2 assignments used, quality = 0.97: H ALA 46 + QG1 VAL 126 OK 97 97 100 100 4.0-4.7 3.1/10409=91, ~11616=49...(19) H GLU 97 - QG1 VAL 126 far 0 73 0 - 7.3-8.2 Violated in 2 structures by 0.00 A. Peak 11601 from cnoeabs.peaks (8.66, 0.96, 22.68 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: H SER 50 + QG1 VAL 126 OK 100 100 100 100 3.8-4.9 11785=100, ~11668=34...(11) H HIS 67 - QG1 VAL 126 far 0 100 0 - 6.5-8.1 Violated in 12 structures by 0.22 A. Peak 11602 from cnoeabs.peaks (8.02, 0.96, 22.68 ppm; 4.18 A): 2 out of 6 assignments used, quality = 0.99: H SER 130 + QG1 VAL 126 OK 94 95 100 99 3.5-4.3 10497=61, 7883/11618=49...(15) H ILE 129 + QG1 VAL 126 OK 81 83 100 98 4.0-4.8 3.8/11618=56...(12) H LEU 48 - QG1 VAL 126 poor 19 76 25 - 4.7-6.0 H CYS 125 - QG1 VAL 126 far 0 81 0 - 5.5-6.1 H ALA 52 - QG1 VAL 126 far 0 99 0 - 6.8-8.1 H TYR 76 - QG1 VAL 126 far 0 81 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 11603 from cnoeabs.peaks (8.03, 0.96, 23.84 ppm; 4.14 A): 1 out of 5 assignments used, quality = 0.97: H CYS 125 + QG2 VAL 126 OK 97 97 100 100 4.2-4.8 7792/4021=67, 10365=60...(21) H SER 130 - QG2 VAL 126 far 0 100 0 - 5.5-6.1 H LEU 48 - QG2 VAL 126 far 0 96 0 - 6.5-8.0 H ALA 52 - QG2 VAL 126 far 0 100 0 - 7.4-9.2 H TYR 76 - QG2 VAL 126 far 0 97 0 - 9.8-11.7 Violated in 20 structures by 0.34 A. Peak 11604 from cnoeabs.peaks (4.05, 0.96, 22.68 ppm; 4.96 A): 1 out of 9 assignments used, quality = 0.39: HA LEU 122 + QG1 VAL 126 OK 39 100 40 98 5.5-6.6 4.9/10393=65...(13) HB THR 65 - QG1 VAL 126 far 9 93 10 - 5.4-6.9 HA LEU 96 - QG1 VAL 126 far 0 97 0 - 6.2-7.1 HA GLU 44 - QG1 VAL 126 far 0 100 0 - 7.0-7.8 HB3 SER 124 - QG1 VAL 126 far 0 78 0 - 7.7-8.2 HA LEU 119 - QG1 VAL 126 far 0 68 0 - 7.8-9.1 HA ALA 92 - QG1 VAL 126 far 0 100 0 - 7.9-8.9 HB2 SER 74 - QG1 VAL 126 far 0 90 0 - 9.9-12.0 HB3 SER 74 - QG1 VAL 126 far 0 89 0 - 10.0-12.1 Violated in 20 structures by 1.09 A. Peak 11605 from cnoeabs.peaks (4.21, 3.97, 58.71 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.96: HA GLU 128 + HA GLN 127 OK 88 89 100 99 4.7-4.8 4.9=76, ~4048=33...(14) HA ALA 88 + HA GLU 91 OK 71 71 100 100 4.7-5.3 2868/3.0=71, 2860/3.0=67...(10) HA SER 124 - HA GLN 127 poor 16 65 25 - 5.1-5.9 HA SER 94 - HA GLU 91 far 0 58 0 - 6.2-6.5 HA SER 51 - HA GLN 127 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 11606 from cnoeabs.peaks (4.24, 2.35, 33.92 ppm; 3.54 A): 4 out of 17 assignments used, quality = 0.99: HA GLN 27 + HG2 GLN 27 OK 85 85 100 99 2.3-3.9 3.7=87, 697/1.8=37...(14) HA GLN 27 + HG3 GLN 27 OK 84 84 100 99 2.7-4.2 3.7=87, 696/1.8=37...(14) HA ALA 28 + HG2 GLN 27 OK 28 84 35 95 3.8-6.5 ~10762=24, ~10723=23...(21) HA ALA 28 + HG3 GLN 27 OK 24 83 30 95 3.9-6.6 ~10762=24, ~10723=23...(21) HA ALA 29 - HG2 GLN 27 poor 19 75 25 - 3.1-8.7 HA ALA 29 - HG3 GLN 27 poor 18 74 25 - 3.0-9.7 HA SER 124 - HG2 GLN 127 far 15 100 15 - 3.6-6.0 HA LYS 26 - HG2 GLN 27 far 8 52 15 - 4.1-7.1 HA GLU 30 - HG3 GLN 27 far 3 69 5 - 4.4-11.3 HA LYS 26 - HG3 GLN 27 far 0 51 0 - 4.6-6.8 HA GLU 30 - HG2 GLN 27 far 0 70 0 - 5.0-11.1 HA LYS 19 - HG2 GLN 27 far 0 56 0 - 6.5-20.9 HA SER 51 - HG2 GLN 127 far 0 68 0 - 7.4-9.1 HA LYS 19 - HG3 GLN 27 far 0 55 0 - 7.8-19.8 HA LEU 22 - HG2 GLN 27 far 0 54 0 - 8.2-16.7 HA LEU 22 - HG3 GLN 27 far 0 53 0 - 8.8-17.9 HA ALA 34 - HG2 GLN 27 far 0 68 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 11607 from cnoeabs.peaks (4.24, 2.49, 33.92 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.99: HA SER 124 + HG3 GLN 127 OK 99 100 100 99 3.3-5.0 3966/3.0=77, 4049/3.0=73...(8) HA SER 51 - HG3 GLN 127 far 0 68 0 - 7.3-9.2 Violated in 3 structures by 0.04 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 99 100 100 100 3.5-5.5 4.0/10437=81...(9) HB2 SER 50 + HG3 GLN 127 OK 97 99 100 98 2.6-4.3 11698/10437=51...(11) HB2 SER 130 - HG3 GLN 127 far 4 78 5 - 6.2-9.1 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 95 99 100 97 2.8-4.7 11698/11579=48...(12) HA LEU 123 + HG2 GLN 127 OK 95 100 100 95 3.8-5.8 4.0/11579=73...(7) HB2 SER 130 - HG2 GLN 127 far 11 73 15 - 4.7-8.4 HB3 SER 33 - HG2 GLN 27 far 0 84 0 - 8.5-16.6 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 2.1-4.7 10436/1.8=97...(13) QD2 LEU 123 + HB3 GLN 127 OK 61 68 90 100 2.9-7.3 ~10436=76, ~10437=67...(21) QD1 LEU 49 - HB3 GLN 127 lone 2 100 35 6 4.0-9.0 10435/4062=2, 10437/3.0=2 QD1 LEU 62 - HB3 GLN 127 far 0 100 0 - 9.3-13.4 QD1 LEU 48 - HB3 GLN 127 far 0 95 0 - 9.5-12.8 QG1 VAL 118 - HB3 GLN 127 far 0 97 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 11611 from cnoeabs.peaks (0.94, 3.97, 58.71 ppm; 4.52 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 123 + HA GLN 127 OK 92 97 95 100 4.1-5.6 11579/4060=70...(15) QG1 VAL 126 + HA GLN 127 OK 85 85 100 100 2.8-3.6 10394=66, 4020/2.9=56...(20) QG2 VAL 126 + HA GLN 127 OK 44 68 65 100 5.3-5.4 2.1/10394=78, ~4020=46...(17) QD1 LEU 49 - HA GLN 127 lone 2 71 55 6 3.1-7.7 11698/4037=2...(3) QD2 LEU 53 - HA GLN 127 far 0 60 0 - 7.6-9.7 QD1 LEU 48 - HA GLN 127 far 0 93 0 - 7.9-11.1 QD2 LEU 48 - HA GLN 127 far 0 60 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 11613 from cnoeabs.peaks (0.81, 0.96, 22.68 ppm; 2.98 A): 1 out of 11 assignments used, quality = 0.77: QD2 LEU 49 + QG1 VAL 126 OK 77 97 95 84 1.8-4.0 2.1/11682=41...(12) QD2 LEU 122 - QG1 VAL 126 poor 16 81 20 - 3.3-6.7 QD1 LEU 122 - QG1 VAL 126 far 15 100 15 - 3.7-6.3 QD1 LEU 53 - QG1 VAL 126 poor 8 93 30 30 3.3-7.1 6621/11785=13...(7) QG2 ILE 129 - QG1 VAL 126 far 0 93 0 - 3.9-4.6 QG1 VAL 133 - QG1 VAL 126 far 0 60 0 - 5.2-8.4 QD1 LEU 70 - QG1 VAL 126 far 0 97 0 - 6.5-7.9 QD1 LEU 103 - QG1 VAL 126 far 0 68 0 - 7.9-9.8 QD2 LEU 119 - QG1 VAL 126 far 0 99 0 - 8.3-9.6 QG1 VAL 63 - QG1 VAL 126 far 0 71 0 - 8.3-9.6 QD1 ILE 37 - QG1 VAL 126 far 0 60 0 - 9.6-10.9 Violated in 6 structures by 0.14 A. Peak 11614 from cnoeabs.peaks (0.80, 0.96, 23.84 ppm; 2.79 A): 4 out of 12 assignments used, quality = 0.97: QD2 LEU 49 + QG2 VAL 126 OK 82 100 95 87 1.7-4.1 11676/2.1=49...(13) QD1 LEU 96 + QG2 VAL 126 OK 51 68 100 74 1.7-1.9 4.0/11689=22...(17) QD1 LEU 122 + QG2 VAL 126 OK 45 98 65 71 1.9-4.5 3.8/10397=22...(13) QD2 LEU 122 + QG2 VAL 126 OK 45 97 60 78 1.8-4.9 1676=25, 3.9/10397=21...(16) QD1 LEU 53 - QG2 VAL 126 poor 7 100 25 27 2.9-7.8 1674/11679=9...(8) QG2 ILE 129 - QG2 VAL 126 far 0 73 0 - 4.2-5.7 QD1 LEU 70 - QG2 VAL 126 far 0 81 0 - 5.1-6.6 QD1 LEU 103 - QG2 VAL 126 far 0 90 0 - 6.4-8.3 QG1 VAL 63 - QG2 VAL 126 far 0 92 0 - 7.1-8.2 QD2 LEU 119 - QG2 VAL 126 far 0 100 0 - 7.1-8.5 QD1 ILE 37 - QG2 VAL 126 far 0 85 0 - 9.6-11.4 QD1 ILE 32 - QG2 VAL 126 far 0 81 0 - 9.7-18.6 Violated in 0 structures by 0.00 A. Peak 11615 from cnoeabs.peaks (1.57, 0.96, 22.68 ppm; 3.89 A): 1 out of 6 assignments used, quality = 0.98: HG LEU 49 + QG1 VAL 126 OK 98 100 100 98 2.5-4.6 2.1/11676=82, ~11679=33...(15) HG LEU 123 - QG1 VAL 126 far 0 100 0 - 5.8-7.8 HB3 LEU 42 - QG1 VAL 126 far 0 76 0 - 7.5-8.5 HB2 LEU 119 - QG1 VAL 126 far 0 78 0 - 8.8-10.5 HB2 LEU 103 - QG1 VAL 126 far 0 97 0 - 9.3-11.7 HG LEU 103 - QG1 VAL 126 far 0 97 0 - 10.0-12.8 Violated in 12 structures by 0.21 A. Peak 11616 from cnoeabs.peaks (1.34, 0.96, 23.84 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 46 + QG2 VAL 126 OK 99 100 100 100 3.8-4.4 9175/2.1=91, 9185/2.1=45...(13) Violated in 19 structures by 0.21 A. Peak 11617 from cnoeabs.peaks (1.36, 2.10, 31.38 ppm; 6.03 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 46 + HB VAL 126 OK 89 89 100 100 4.1-5.1 10409/2.1=95...(13) HB2 LEU 96 + HB VAL 126 OK 78 78 100 100 4.1-6.5 ~11689=77, ~10397=71...(16) HB3 LEU 100 - HB VAL 126 far 0 81 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. Peak 11618 from cnoeabs.peaks (1.99, 0.96, 22.68 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.95: HB ILE 129 + QG1 VAL 126 OK 95 96 100 100 2.9-4.0 3.2/10410=55...(31) HB3 LEU 53 - QG1 VAL 126 far 0 100 0 - 5.6-9.4 Violated in 1 structures by 0.01 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 3.1-4.0 10410/2.1=71, 10489=67...(33) QD2 LEU 100 - QG2 VAL 126 lone 5 68 35 19 4.1-5.9 2.1/11678=9...(5) QD2 LEU 62 - QG2 VAL 126 far 0 76 0 - 5.4-6.5 QD1 LEU 42 - QG2 VAL 126 far 0 85 0 - 5.6-7.3 Violated in 9 structures by 0.02 A. Peak 11620 from cnoeabs.peaks (2.21, 0.96, 22.68 ppm; 4.38 A): 1 out of 8 assignments used, quality = 0.80: HB3 GLN 127 + QG1 VAL 126 OK 80 96 85 98 4.5-5.7 3.0/10394=79...(12) HG2 GLN 68 - QG1 VAL 126 far 13 89 15 - 5.0-9.0 HB3 LEU 96 - QG1 VAL 126 far 12 78 15 - 4.8-5.8 HB3 GLU 128 - QG1 VAL 126 far 0 97 0 - 6.3-7.4 HB2 GLN 68 - QG1 VAL 126 far 0 100 0 - 6.9-8.8 HB VAL 133 - QG1 VAL 126 far 0 73 0 - 7.8-10.1 HB3 GLU 97 - QG1 VAL 126 far 0 100 0 - 8.0-10.0 HG2 GLU 91 - QG1 VAL 126 far 0 95 0 - 9.8-10.8 Violated in 20 structures by 0.51 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 3.6-5.5 3.8/10394=91...(8) HG3 GLU 44 - QG1 VAL 126 far 0 73 0 - 8.7-9.9 HG2 GLU 55 - QG1 VAL 126 far 0 83 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 11622 from cnoeabs.peaks (0.97, 2.08, 28.41 ppm; 4.96 A): 2 out of 10 assignments used, quality = 0.57: QG1 VAL 57 + HB2 GLN 61 OK 39 39 100 100 3.2-4.3 10937/3.0=79...(37) QG1 VAL 105 + HB2 GLU 102 OK 30 87 35 100 5.5-7.1 2.1/11456=79, ~10086=63...(20) QD2 LEU 53 - HB2 GLN 61 far 3 61 5 - 5.7-12.5 QG1 VAL 126 - HB2 GLU 128 far 0 90 0 - 5.9-6.7 QG2 VAL 126 - HB2 GLU 128 far 0 98 0 - 6.1-6.8 QG1 VAL 126 - HB3 GLU 44 far 0 86 0 - 8.0-9.0 QD2 LEU 53 - HB2 GLU 102 far 0 93 0 - 8.6-15.6 QG2 VAL 126 - HB2 GLU 102 far 0 91 0 - 9.3-11.5 QD2 LEU 53 - HB2 GLU 128 far 0 99 0 - 9.7-11.4 QG2 VAL 126 - HB3 GLU 44 far 0 95 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11623 from cnoeabs.peaks (0.83, 2.08, 28.41 ppm; 4.85 A): 4 out of 18 assignments used, quality = 0.76: QG2 VAL 57 + HB2 GLN 61 OK 34 34 100 100 3.4-5.5 ~9377=54, ~10937=53...(33) QG2 ILE 80 + HB3 GLN 82 OK 34 35 100 95 3.1-4.2 11262/2.9=58...(12) HG13 ILE 80 + HB3 GLN 82 OK 30 47 70 90 4.8-8.6 ~11262=38, ~9715=25...(13) QG2 ILE 129 + HB2 GLU 128 OK 23 93 25 100 5.3-6.4 9946/10444=70...(17) QD1 LEU 98 - HB2 GLU 102 poor 14 58 25 - 3.5-8.5 QD1 LEU 122 - HB2 GLU 102 far 8 53 15 - 4.7-9.5 QG1 VAL 133 - HB3 GLN 82 far 3 53 5 - 5.7-10.7 QG1 VAL 133 - HB2 GLU 128 far 0 100 0 - 6.6-10.7 QD2 LEU 70 - HB2 GLU 102 far 0 72 0 - 7.7-10.2 QD1 LEU 122 - HB2 GLU 128 far 0 60 0 - 8.0-10.7 QG1 VAL 133 - HB3 GLU 44 far 0 98 0 - 8.1-10.2 QD1 LEU 70 - HB2 GLU 102 far 0 80 0 - 8.1-11.2 QD1 LEU 122 - HB2 GLN 61 far 0 31 0 - 8.2-10.7 QD2 LEU 70 - HB2 GLU 128 far 0 81 0 - 8.5-10.2 QG2 ILE 129 - HB3 GLU 44 far 0 90 0 - 8.7-10.5 QG2 ILE 32 - HB3 GLU 44 far 0 81 0 - 9.1-16.0 QG2 ILE 129 - HB3 GLN 82 far 0 45 0 - 9.8-12.4 QD1 LEU 70 - HB2 GLU 128 far 0 89 0 - 9.9-12.2 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 10 assignments used, quality = 0.99: QG2 VAL 105 + HB3 GLU 102 OK 88 88 100 100 3.4-4.5 11508/3.0=99...(19) QG2 VAL 118 + HB3 GLU 102 OK 80 80 100 100 2.1-4.8 2.1/11546=100...(22) QD1 LEU 69 + HB2 GLN 68 OK 76 80 95 100 2.9-6.9 2.1/11021=87, ~11048=76...(20) QD1 LEU 69 - HB3 GLU 128 far 5 92 5 - 6.7-10.8 QG2 VAL 105 - HB3 GLU 97 far 3 70 5 - 6.2-10.2 QD1 LEU 69 - HB3 GLU 97 far 0 64 0 - 7.7-10.8 QD2 LEU 53 - HB2 GLN 68 far 0 55 0 - 8.4-16.0 QD2 LEU 53 - HB3 GLU 102 far 0 56 0 - 8.6-16.1 QG2 VAL 118 - HB3 GLU 97 far 0 62 0 - 8.9-10.5 QD2 LEU 53 - HB3 GLU 128 far 0 65 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 11625 from cnoeabs.peaks (0.87, 2.22, 28.41 ppm; 4.47 A): 4 out of 15 assignments used, quality = 0.96: QD2 LEU 69 + HB2 GLN 68 OK 75 91 85 97 4.0-6.9 4.9/2139=37, 2218/1.8=33...(19) QD2 LEU 70 + HB3 GLU 97 OK 62 62 100 100 1.9-4.0 11109/1.8=78...(35) QG1 VAL 118 + HB3 GLU 102 OK 42 56 75 100 2.7-5.8 2.1/11545=86, 11546=52...(21) QD1 LEU 98 + HB3 GLU 97 OK 30 70 60 71 2.7-6.9 3184/7359=48...(10) QD1 LEU 98 - HB3 GLU 102 far 13 88 15 - 4.6-9.0 QG2 ILE 32 - HB2 GLN 68 far 11 75 15 - 4.4-14.6 QD2 LEU 98 - HB3 GLU 97 far 11 74 15 - 4.3-6.9 QD2 LEU 70 - HB2 GLN 68 far 0 78 0 - 6.1-8.0 QD2 LEU 98 - HB3 GLU 102 far 0 93 0 - 6.8-9.2 QD2 LEU 69 - HB3 GLU 97 far 0 75 0 - 7.0-9.7 QD2 LEU 123 - HB3 GLU 128 far 0 96 0 - 7.4-11.0 QG1 VAL 118 - HB3 GLU 97 far 0 42 0 - 7.8-8.9 QD2 LEU 69 - HB3 GLU 128 far 0 100 0 - 8.4-10.7 QD2 LEU 70 - HB3 GLU 102 far 0 80 0 - 8.9-11.0 QD2 LEU 70 - HB3 GLU 128 far 0 90 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 11626 from cnoeabs.peaks (0.78, 2.22, 28.41 ppm; 4.81 A): 2 out of 28 assignments used, quality = 0.85: QD1 LEU 96 + HB3 GLU 97 OK 65 69 95 100 4.1-5.7 ~11461=58, ~11809=50...(34) QD1 LEU 103 + HB3 GLU 102 OK 55 93 60 99 3.9-6.7 10265/11545=79...(13) QD1 ILE 32 - HB2 GLN 68 far 14 90 15 - 3.5-17.3 QD2 LEU 49 - HB2 GLN 68 far 12 82 15 - 4.8-7.5 QD2 LEU 122 - HB3 GLU 102 far 5 93 5 - 4.5-10.3 QD2 LEU 122 - HB3 GLU 97 far 4 74 5 - 5.5-7.8 QD1 ILE 37 - HB2 GLN 68 far 0 91 0 - 5.8-9.6 QD1 LEU 122 - HB3 GLU 102 far 0 64 0 - 5.9-10.0 QD1 LEU 122 - HB3 GLU 97 far 0 48 0 - 6.3-8.9 QG1 VAL 63 - HB2 GLN 68 far 0 92 0 - 6.5-8.9 QD1 LEU 96 - HB2 GLN 68 far 0 86 0 - 6.6-8.6 QG1 VAL 63 - HB3 GLU 97 far 0 75 0 - 6.7-9.8 QD2 LEU 119 - HB3 GLU 102 far 0 77 0 - 6.9-11.3 QD1 LEU 122 - HB2 GLN 68 far 0 62 0 - 7.1-11.6 QD1 LEU 96 - HB3 GLU 128 far 0 97 0 - 7.2-9.5 QD2 LEU 122 - HB2 GLN 68 far 0 91 0 - 7.7-10.9 QD1 LEU 96 - HB3 GLU 102 far 0 87 0 - 7.8-10.6 QG1 VAL 63 - HB3 GLU 102 far 0 93 0 - 7.9-9.1 QD2 LEU 49 - HB3 GLU 97 far 0 65 0 - 8.0-10.6 QD2 LEU 43 - HB3 GLU 128 far 0 63 0 - 8.1-8.9 QD1 LEU 103 - HB3 GLU 97 far 0 75 0 - 8.2-10.6 QD1 LEU 53 - HB3 GLU 128 far 0 97 0 - 8.2-11.4 QD1 LEU 53 - HB2 GLN 68 far 0 86 0 - 8.4-14.4 QD2 LEU 49 - HB3 GLU 128 far 0 93 0 - 8.4-11.4 QD2 LEU 122 - HB3 GLU 128 far 0 100 0 - 8.5-11.6 QD1 LEU 122 - HB3 GLU 128 far 0 73 0 - 8.9-12.1 QD1 LEU 103 - HB2 GLN 68 far 0 92 0 - 8.9-13.4 QD2 LEU 43 - HB2 GLN 68 far 0 52 0 - 9.2-12.1 Violated in 4 structures by 0.03 A. Peak 11627 from cnoeabs.peaks (1.13, 2.42, 34.22 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.90: QG2 VAL 132 + HG3 GLU 128 OK 90 97 95 98 2.3-5.4 9947/10447=46...(14) QG1 VAL 132 - HG3 GLU 128 far 0 100 0 - 4.7-7.8 Violated in 3 structures by 0.11 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 - 6.6-7.9 Violated in 20 structures by 2.38 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 2.0-6.0 11647=85, 11698/1.8=82...(16) HA ASN 59 - HG2 GLN 104 far 0 100 0 - 8.4-9.9 Violated in 8 structures by 0.17 A. Peak 11630 from cnoeabs.peaks (8.47, 2.42, 34.22 ppm; 6.13 A): 1 out of 1 assignment used, quality = 1.00: H VAL 132 + HG3 GLU 128 OK 100 100 100 100 4.1-6.6 4.0/11697=94...(10) Violated in 1 structures by 0.02 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 3.9-4.8 10402/4163=63...(29) HA ILE 129 + QG2 ILE 129 OK 60 60 100 100 2.0-2.5 3.2=100 HA VAL 77 + QG2 ILE 80 OK 58 58 100 100 4.1-4.7 9725/3.1=68...(40) HA VAL 77 - QG2 ILE 129 far 0 92 0 - 5.6-6.6 HA LYS 39 - QG2 ILE 129 far 0 60 0 - 6.2-7.7 HA LYS 39 - QG2 ILE 80 far 0 35 0 - 6.8-9.0 HA ILE 129 - QG2 ILE 80 far 0 35 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 11632 from cnoeabs.peaks (8.14, 0.82, 16.92 ppm; 4.72 A): 2 out of 7 assignments used, quality = 0.99: H VAL 133 + QG2 ILE 129 OK 99 99 100 99 3.1-5.0 11894/10486=59...(17) H PHE 87 + QG2 ILE 80 OK 44 45 100 97 4.4-5.4 4.3/9753=57, 4.6/9821=44...(16) H VAL 133 - QG2 ILE 80 far 3 68 5 - 5.3-7.4 H GLU 91 - QG2 ILE 129 far 0 93 0 - 6.3-7.1 H ASP 71 - QG2 ILE 129 far 0 100 0 - 6.7-8.8 H GLU 91 - QG2 ILE 80 far 0 60 0 - 8.0-8.8 H PHE 87 - QG2 ILE 129 far 0 76 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 11633 from cnoeabs.peaks (7.09, 0.64, 14.39 ppm; 6.69 A): 1 out of 1 assignment used, quality = 0.63: QD PHE 89 + QD1 ILE 129 OK 63 63 100 100 3.6-5.3 2.2/10456=100, ~10457=87...(19) Violated in 0 structures by 0.00 A. Peak 11634 from cnoeabs.peaks (7.08, 0.82, 16.92 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.99: QD PHE 89 + QG2 ILE 129 OK 98 98 100 100 2.5-3.3 2.2/10457=89...(33) QD PHE 89 + QG2 ILE 80 OK 65 65 100 100 4.3-5.4 9747/3.1=62...(29) HE ARG 135 - QG2 ILE 80 far 0 45 0 - 7.1-10.2 HE ARG 135 - QG2 ILE 129 far 0 76 0 - 8.5-10.9 HZ PHE 87 - QG2 ILE 80 far 0 47 0 - 9.1-11.7 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: QB ALA 88 - QD1 ILE 129 poor 16 68 30 79 4.8-6.5 11318/10491=41...(8) HD2 LYS 95 - QD1 ILE 129 far 8 85 10 - 5.4-7.7 HD3 LYS 95 - QD1 ILE 129 far 4 73 5 - 5.4-8.1 HB2 LEU 122 - QD1 ILE 129 far 0 68 0 - 6.0-9.0 HG LEU 122 - QD1 ILE 129 far 0 57 0 - 6.3-9.0 HG LEU 70 - QD1 ILE 129 far 0 76 0 - 6.7-9.2 HB2 LEU 98 - QD1 ILE 129 far 0 89 0 - 7.8-10.4 HG LEU 43 - QD1 ILE 129 far 0 99 0 - 8.1-9.6 HB2 LEU 123 - QD1 ILE 129 far 0 92 0 - 8.1-9.4 Violated in 15 structures by 0.14 A. Peak 11636 from cnoeabs.peaks (1.34, 0.64, 14.39 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.80: QB ALA 46 + QD1 ILE 129 OK 80 100 80 100 4.1-5.4 11245/4163=79...(9) Violated in 18 structures by 0.58 A. Peak 11637 from cnoeabs.peaks (1.52, 0.64, 14.39 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.48: HG LEU 69 + QD1 ILE 129 OK 48 99 50 97 4.0-6.4 2.1/11038=80, ~11070=32...(12) HB2 LEU 49 - QD1 ILE 129 far 0 73 0 - 6.9-9.8 HB3 LEU 42 - QD1 ILE 129 far 0 76 0 - 7.9-9.0 Violated in 17 structures by 0.91 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 4.6-5.6 2.1/10489=98...(29) HB2 GLU 128 + QD1 ILE 129 OK 60 60 100 100 2.7-4.5 1.8/10013=62...(14) HG3 GLU 91 + QD1 ILE 129 OK 58 100 75 78 5.2-6.3 9910/11635=37...(4) HB2 GLU 97 - QD1 ILE 129 far 3 63 5 - 5.7-8.0 HG3 GLN 134 - QD1 ILE 129 far 0 63 0 - 8.4-10.9 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 2.0-3.2 10402=78, 3.2/10489=57...(24) HA VAL 77 - QD1 ILE 129 far 0 63 0 - 7.4-8.7 HA LYS 39 - QD1 ILE 129 far 0 90 0 - 9.6-10.6 HB3 HIS 67 - QD1 ILE 129 far 0 93 0 - 9.8-12.3 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 6 assignments used, quality = 0.95: H ASP 131 + HB3 SER 130 OK 95 95 100 100 2.8-4.0 4.6=100 H LEU 43 - HB3 SER 130 far 10 100 10 - 5.7-7.4 H VAL 126 - HB3 SER 130 far 0 99 0 - 7.2-8.5 H LEU 49 - HB3 SER 130 far 0 85 0 - 7.4-9.9 H LEU 69 - HB3 SER 130 far 0 92 0 - 9.4-12.4 H GLU 40 - HB3 SER 130 far 0 100 0 - 9.9-11.5 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 1.9-4.1 10508/1.8=97...(12) QB ALA 46 + HB2 SER 50 OK 39 73 75 72 4.5-6.7 9213/3.9=50...(3) 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 1.9-3.6 10509/1.8=84...(23) HG12 ILE 129 - HB2 SER 130 far 0 99 0 - 5.9-7.5 QD2 LEU 96 - HB2 SER 130 far 0 99 0 - 7.0-8.6 QD1 LEU 96 - HB2 SER 130 far 0 92 0 - 7.3-10.2 QD1 LEU 96 - HB2 SER 50 far 0 61 0 - 7.5-10.4 QD2 LEU 96 - HB2 SER 50 far 0 69 0 - 7.7-10.6 QD2 LEU 43 - HB2 SER 50 far 0 72 0 - 7.7-9.6 HG12 ILE 129 - HB2 SER 50 far 0 70 0 - 7.8-13.4 QG1 VAL 93 - HB2 SER 130 far 0 99 0 - 9.3-10.9 QD2 LEU 103 - HB2 SER 50 far 0 60 0 - 9.9-14.1 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 3 assignments used, quality = 0.99: QG1 VAL 126 + HB3 SER 130 OK 97 97 100 100 3.7-5.1 9175/10508=98...(8) QG2 VAL 126 + HB3 SER 130 OK 83 100 85 97 6.1-7.6 11680/10508=92...(6) QD2 LEU 53 - HB3 SER 130 far 0 100 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 11644 from cnoeabs.peaks (8.15, 2.77, 40.87 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.99: H VAL 133 + HB2 ASP 131 OK 99 99 100 100 5.3-6.2 3.3/7914=90...(14) H VAL 133 - HB2 TYR 76 far 0 74 0 - 7.1-10.3 H ASP 71 - HB2 TYR 76 far 0 64 0 - 8.0-9.1 Violated in 19 structures by 0.33 A. Peak 11645 from cnoeabs.peaks (8.15, 2.87, 40.87 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.97: H VAL 133 + HB3 ASP 131 OK 97 97 100 100 4.6-5.6 3.3/7915=95...(15) H GLU 91 - HB3 ASP 131 far 0 57 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 11646 from cnoeabs.peaks (8.04, 2.87, 40.87 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: H SER 130 + HB3 ASP 131 OK 100 100 100 100 4.7-5.5 7891/7904=87...(12) H CYS 125 - HB3 ASP 131 far 0 100 0 - 9.5-11.0 Violated in 12 structures by 0.14 A. Peak 11648 from cnoeabs.peaks (8.28, 2.28, 31.51 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.99: H ASP 131 + HB VAL 132 OK 99 99 100 100 4.7-5.4 3.3/7917=92...(14) H GLY 111 - HB3 PRO 113 far 0 43 0 - 8.7-10.4 H LEU 43 - HB VAL 132 far 0 97 0 - 9.4-10.1 Violated in 3 structures by 0.01 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=61...(28) HE ARG 135 - HB VAL 132 far 0 98 0 - 6.2-8.3 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 3.6-4.3 7903/11161=75...(24) H ASP 131 - QG1 VAL 132 far 5 99 5 - 5.7-6.0 H VAL 126 - QG2 VAL 132 far 0 45 0 - 7.7-8.5 H LEU 96 - QG2 VAL 132 far 0 53 0 - 8.1-8.8 H LEU 43 - QG2 VAL 132 far 0 48 0 - 8.9-9.9 H LEU 43 - QG1 VAL 132 far 0 97 0 - 9.5-10.3 H LEU 96 - QG1 VAL 132 far 0 100 0 - 9.7-10.5 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 47 100 100 4.4-5.1 4167/10490=67...(14) H ILE 129 + QG2 VAL 132 OK 37 37 100 100 3.7-4.6 3.6/10442=71...(18) H ILE 129 - QG1 VAL 132 far 0 81 0 - 6.1-7.0 H SER 130 - QG1 VAL 132 far 0 96 0 - 6.5-7.0 H CYS 79 - QG1 VAL 132 far 0 83 0 - 8.0-9.6 H CYS 125 - QG2 VAL 132 far 0 38 0 - 8.3-9.4 H TYR 76 - QG1 VAL 132 far 0 83 0 - 8.6-10.6 H TYR 76 - QG2 VAL 132 far 0 38 0 - 9.5-10.8 H CYS 79 - QG2 VAL 132 far 0 38 0 - 9.8-10.7 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 6 60 10 - 5.4-9.6 H ILE 80 - QG1 VAL 132 far 0 97 0 - 6.6-8.2 HE21 GLN 82 - QG2 VAL 132 far 0 26 0 - 7.8-12.1 H ILE 80 - QG2 VAL 132 far 0 49 0 - 8.7-9.5 Violated in 20 structures by 1.49 A. Peak 11655 from cnoeabs.peaks (6.48, 1.13, 22.77 ppm; 5.60 A): 2 out of 4 assignments used, quality = 0.99: QE TYR 76 + QG1 VAL 132 OK 99 100 100 99 4.4-6.4 9746/11656=84...(11) QD TYR 76 + QG1 VAL 132 OK 32 71 70 64 5.4-7.2 9746/11656=45...(7) QE TYR 76 - QG2 VAL 132 far 3 52 5 - 6.3-7.3 QD TYR 76 - QG2 VAL 132 far 0 31 0 - 6.7-7.5 Violated in 4 structures by 0.03 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 2.6-4.2 9722/2.1=46...(34) QD1 ILE 80 - QG2 VAL 132 far 3 53 5 - 4.4-5.2 QG2 VAL 93 - QG2 VAL 132 far 0 42 0 - 4.5-5.4 QG2 VAL 93 - QG1 VAL 132 far 0 89 0 - 5.1-6.2 Violated in 6 structures by 0.09 A. Peak 11657 from cnoeabs.peaks (2.40, 1.14, 23.15 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.89: HG2 GLU 128 + QG2 VAL 132 OK 73 78 95 98 2.3-5.6 1.8/11697=74...(13) HG3 GLU 128 + QG2 VAL 132 OK 60 65 95 96 2.3-5.4 11697=52, 9949/9947=40...(11) HG2 GLU 128 - QG1 VAL 132 far 0 35 0 - 4.7-8.0 HG3 GLU 128 - QG1 VAL 132 far 0 28 0 - 4.7-7.8 HG3 GLU 97 - QG2 VAL 132 far 0 68 0 - 9.6-12.4 Violated in 1 structures by 0.06 A. Peak 11658 from cnoeabs.peaks (1.44, 1.13, 22.77 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.71: QB ALA 92 + QG2 VAL 132 OK 52 52 100 100 3.0-3.7 9947=98, 10447/11627=54...(23) QB ALA 92 + QG1 VAL 132 OK 39 99 40 98 4.5-5.3 9947/2.1=76...(18) HG2 LYS 86 - QG1 VAL 132 far 0 92 0 - 5.5-6.2 HG2 LYS 86 - QG2 VAL 132 far 0 44 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 11659 from cnoeabs.peaks (1.79, 1.13, 22.77 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.65: HB3 ARG 135 + QG1 VAL 132 OK 65 65 100 100 4.0-5.1 11884/3.2=44...(32) HB2 ARG 84 - QG1 VAL 132 far 4 87 5 - 5.2-7.6 HB3 ARG 135 - QG2 VAL 132 far 3 28 10 - 5.0-6.5 HB2 LYS 86 - QG1 VAL 132 far 0 100 0 - 5.6-6.3 HB2 ARG 84 - QG2 VAL 132 far 0 41 0 - 7.4-9.5 HB2 LYS 86 - QG2 VAL 132 far 0 53 0 - 7.7-8.1 Violated in 17 structures by 0.35 A. Peak 11660 from cnoeabs.peaks (2.83, 1.13, 22.77 ppm; 4.69 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 85 + QG1 VAL 132 OK 100 100 100 100 1.8-3.4 1.8/10535=94...(23) HB3 ASN 85 + QG2 VAL 132 OK 37 53 70 100 4.4-5.9 ~10535=66, ~10535=59...(23) Violated in 0 structures by 0.00 A. Peak 11661 from cnoeabs.peaks (1.68, 2.28, 31.51 ppm; 5.33 A): 1 out of 4 assignments used, quality = 0.83: QB ALA 88 + HB VAL 132 OK 83 83 100 100 3.8-4.7 9857/3.0=55, ~9860=49...(16) HD2 LYS 39 - HB VAL 132 far 0 100 0 - 9.4-11.3 HD2 LYS 86 - HB VAL 132 far 0 78 0 - 9.5-10.6 HD3 LYS 86 - HB VAL 132 far 0 78 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 11662 from cnoeabs.peaks (0.84, 2.28, 31.51 ppm; 4.73 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 133 + HB VAL 132 OK 100 100 100 100 2.7-5.2 11670=97, 2.1/11764=84...(22) QG2 ILE 129 + HB VAL 132 OK 92 92 100 100 3.3-4.3 3.2/4126=66, ~10490=49...(19) HG13 ILE 80 + HB VAL 132 OK 69 95 75 98 4.8-7.1 ~11738=67, ~11656=66...(14) QG2 ILE 80 - HB VAL 132 far 11 76 15 - 5.2-6.8 QG2 VAL 57 - HB3 PRO 113 far 0 43 0 - 5.6-10.4 QD2 LEU 70 - HB VAL 132 far 0 83 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 11663 from cnoeabs.peaks (8.57, 1.14, 23.15 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.82: H ARG 90 + QG2 VAL 132 OK 63 100 65 96 4.9-5.7 7209/10551=39...(15) H ARG 90 + QG1 VAL 132 OK 52 53 100 98 4.4-5.3 11183/11738=43...(16) Violated in 7 structures by 0.04 A. Peak 11665 from cnoeabs.peaks (8.28, 0.84, 22.13 ppm; 4.83 A): 3 out of 7 assignments used, quality = 0.99: H LEU 43 + QG1 VAL 133 OK 97 97 100 100 4.1-5.4 6510/11777=77...(21) H ASP 131 + QG1 VAL 133 OK 49 99 50 100 3.8-6.6 7925/4245=61...(21) H GLU 40 + QG1 VAL 133 OK 48 100 50 97 5.1-7.7 3.6/10578=68...(13) H VAL 126 - QG1 VAL 133 far 0 95 0 - 8.5-12.1 H LEU 69 - QG1 VAL 133 far 0 81 0 - 8.9-11.7 H LEU 96 - QG1 VAL 133 far 0 100 0 - 9.8-12.8 H LEU 49 - QG1 VAL 133 far 0 71 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 11666 from cnoeabs.peaks (7.39, 0.84, 22.13 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 89 + QG1 VAL 133 OK 98 98 100 100 1.8-4.0 10552/2.1=98...(23) Violated in 0 structures by 0.00 A. Peak 11667 from cnoeabs.peaks (4.35, 1.04, 23.73 ppm; 5.43 A): 1 out of 6 assignments used, quality = 0.99: HA GLN 134 + QG2 VAL 133 OK 99 99 100 100 2.8-5.5 3.0/4256=93...(21) HA PRO 81 - QG2 VAL 133 far 0 97 0 - 7.1-11.3 HA LEU 69 - QG2 VAL 133 far 0 90 0 - 7.3-9.2 HA ASP 47 - QG2 VAL 133 far 0 100 0 - 8.3-9.4 HA CYS 125 - QG2 VAL 133 far 0 99 0 - 9.1-11.6 HA2 GLY 75 - QG2 VAL 133 far 0 60 0 - 9.5-11.4 Violated in 2 structures by 0.00 A. Peak 11668 from cnoeabs.peaks (4.33, 0.84, 22.13 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.89: HA GLN 134 + QG1 VAL 133 OK 83 83 100 100 3.9-5.4 3.0/4250=85...(20) HA ASP 131 + QG1 VAL 133 OK 35 71 50 98 4.5-6.6 3.6/11755=47...(12) HA PRO 81 - QG1 VAL 133 poor 20 100 20 - 5.1-11.2 HA TYR 76 - QG1 VAL 133 far 0 81 0 - 6.3-7.4 HA LEU 69 - QG1 VAL 133 far 0 100 0 - 6.8-9.4 HA ASP 47 - QG1 VAL 133 far 0 97 0 - 8.1-10.6 HA CYS 125 - QG1 VAL 133 far 0 78 0 - 8.7-12.4 HA2 GLY 75 - QG1 VAL 133 far 0 92 0 - 9.1-10.1 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 = 0.76: HB VAL 132 + QG2 VAL 133 OK 76 96 80 100 2.7-5.3 11670/2.1=70...(24) HG2 GLU 40 - QG2 VAL 133 far 0 78 0 - 5.8-9.8 Violated in 10 structures by 0.36 A. Peak 11670 from cnoeabs.peaks (2.29, 0.84, 22.13 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.98: HB VAL 132 + QG1 VAL 133 OK 98 98 100 100 2.7-5.2 11764/2.1=81...(22) HG2 GLU 40 - QG1 VAL 133 far 0 71 0 - 5.9-9.8 Violated in 10 structures by 0.29 A. Peak 11671 from cnoeabs.peaks (1.76, 1.04, 23.73 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.50: HB2 LYS 39 + QG2 VAL 133 OK 50 100 50 100 3.8-6.7 2.9/10567=63, ~10578=44...(20) HG13 ILE 129 - QG2 VAL 133 far 4 89 5 - 5.3-7.9 HB ILE 80 - QG2 VAL 133 far 0 73 0 - 5.7-8.5 HG3 ARG 90 - QG2 VAL 133 far 0 60 0 - 6.9-10.9 Violated in 11 structures by 0.81 A. Peak 11672 from cnoeabs.peaks (1.74, 0.84, 22.13 ppm; 4.08 A): 2 out of 7 assignments used, quality = 0.59: HB2 LYS 39 + QG1 VAL 133 OK 42 85 50 99 3.7-6.7 11767/2.1=70...(17) HD3 LYS 39 + QG1 VAL 133 OK 30 60 50 99 2.3-6.6 2.9/10577=40...(22) HG13 ILE 129 - QG1 VAL 133 far 10 100 10 - 4.4-8.7 HB2 LEU 43 - QG1 VAL 133 far 9 92 10 - 4.9-6.5 HB ILE 80 - QG1 VAL 133 far 0 100 0 - 5.0-7.8 HG3 ARG 90 - QG1 VAL 133 far 0 97 0 - 7.4-10.4 HB3 LEU 70 - QG1 VAL 133 far 0 63 0 - 9.5-12.8 Violated in 10 structures by 0.76 A. Peak 11673 from cnoeabs.peaks (1.51, 0.84, 22.13 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.62: HG LEU 42 + QG1 VAL 133 OK 62 65 95 100 4.0-5.6 2.1/10585=93, ~10587=68...(25) HG LEU 69 - QG1 VAL 133 far 0 100 0 - 6.1-10.3 HB2 LEU 49 - QG1 VAL 133 far 0 90 0 - 9.5-13.4 Violated in 10 structures by 0.26 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 1.9-4.7 9128=98, 11777/2.1=91...(23) HG12 ILE 129 - HB VAL 133 far 0 96 0 - 7.4-10.2 QD2 LEU 96 - HB VAL 133 far 0 95 0 - 8.2-10.3 QG1 VAL 93 - HB VAL 133 far 0 96 0 - 8.5-10.9 QD1 ILE 37 - HB VAL 133 far 0 89 0 - 9.6-12.2 Violated in 3 structures by 0.03 A. Peak 11676 from cnoeabs.peaks (0.64, 1.04, 23.73 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.54: QD1 LEU 42 + QG2 VAL 133 OK 54 98 55 100 3.4-5.3 2.1/10587=74...(30) QD1 ILE 129 - QG2 VAL 133 far 0 100 0 - 4.8-7.2 Violated in 19 structures by 0.89 A. Peak 11677 from cnoeabs.peaks (0.70, 0.84, 22.13 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 43 + QG1 VAL 133 OK 95 100 95 100 3.0-4.3 2.1/10572=57...(29) Violated in 15 structures by 0.27 A. Peak 11678 from cnoeabs.peaks (0.77, 1.04, 23.73 ppm; 3.27 A): 1 out of 9 assignments used, quality = 0.92: QD2 LEU 43 + QG2 VAL 133 OK 92 92 100 100 1.7-2.6 11090=80, 11679/2.1=72...(31) HG12 ILE 129 - QG2 VAL 133 far 0 83 0 - 5.2-8.1 QD2 LEU 96 - QG2 VAL 133 far 0 81 0 - 6.3-8.6 QG1 VAL 93 - QG2 VAL 133 far 0 83 0 - 6.5-9.2 QD2 LEU 49 - QG2 VAL 133 far 0 65 0 - 7.7-10.5 QD1 LEU 96 - QG2 VAL 133 far 0 100 0 - 8.1-10.2 QD1 ILE 37 - QG2 VAL 133 far 0 98 0 - 8.2-9.7 QD2 LEU 122 - QG2 VAL 133 far 0 89 0 - 9.1-13.6 QD1 LEU 53 - QG2 VAL 133 far 0 73 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 11679 from cnoeabs.peaks (0.78, 0.84, 22.13 ppm; 2.77 A): 1 out of 7 assignments used, quality = 0.69: QD2 LEU 43 + QG1 VAL 133 OK 69 71 100 97 2.0-2.9 11678/2.1=44...(24) QD2 LEU 49 - QG1 VAL 133 far 0 89 0 - 7.6-11.6 QD1 LEU 96 - QG1 VAL 133 far 0 99 0 - 7.7-10.5 QD1 ILE 37 - QG1 VAL 133 far 0 100 0 - 8.4-9.3 QD2 LEU 122 - QG1 VAL 133 far 0 99 0 - 9.0-14.2 QD1 LEU 122 - QG1 VAL 133 far 0 65 0 - 9.2-13.8 QD1 LEU 53 - QG1 VAL 133 far 0 93 0 - 9.6-14.7 Violated in 7 structures by 0.03 A. Peak 11680 from cnoeabs.peaks (1.14, 0.84, 22.13 ppm; 3.33 A): 4 out of 4 assignments used, quality = 0.94: HG2 LYS 39 + QG1 VAL 133 OK 54 100 55 98 1.9-5.3 4.0/10578=29, ~10567=29...(26) HG3 LYS 39 + QG1 VAL 133 OK 52 87 60 99 1.9-5.3 10873/10585=35...(27) QG2 VAL 132 + QG1 VAL 133 OK 49 100 50 98 3.8-5.8 2.1/11670=41...(30) QG1 VAL 132 + QG1 VAL 133 OK 44 99 45 99 3.0-5.6 2.1/11670=41...(27) Violated in 2 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 3.2-3.8 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 3.5-5.6 2.1/11899=77...(21) QD2 LEU 43 - HA ASP 47 far 5 91 5 - 5.4-7.2 QD1 ILE 32 - HA LYS 24 far 1 28 5 - 5.2-15.9 QD1 LEU 96 - HA ASP 47 far 0 70 0 - 8.2-9.9 HG12 ILE 129 - HA ASP 47 far 0 91 0 - 8.3-12.1 QD2 LEU 96 - HA ASP 47 far 0 91 0 - 8.5-9.7 QD1 ILE 37 - HA LYS 24 far 0 25 0 - 8.8-20.8 Violated in 9 structures by 0.14 A. Peak 11683 from cnoeabs.peaks (1.72, 4.35, 56.69 ppm; 4.47 A): 2 out of 14 assignments used, quality = 0.70: HD3 LYS 39 + HA GLN 134 OK 58 97 70 85 3.8-6.1 ~10606=30...(9) 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 - 5.0-7.0 HB2 LYS 26 - HA LYS 24 far 1 25 5 - 4.6-9.6 HB2 LEU 43 - HA GLN 134 far 0 100 0 - 5.9-8.6 HB2 LEU 43 - HA ASP 47 far 0 90 0 - 6.4-8.1 HG LEU 48 - HA ASP 47 far 0 86 0 - 6.8-7.8 HB2 LYS 31 - HA LYS 24 far 0 34 0 - 6.9-18.1 HB2 LEU 70 - HA LYS 24 far 0 43 0 - 8.3-34.5 HG LEU 48 - HA LYS 24 far 0 45 0 - 8.7-35.7 HG13 ILE 129 - HA ASP 47 far 0 68 0 - 9.0-11.9 HB2 LYS 19 - HA LYS 24 far 0 25 0 - 9.3-15.1 HB3 LEU 70 - HA LYS 24 far 0 45 0 - 9.6-35.9 HB ILE 80 - HA GLN 134 far 0 93 0 - 10.0-11.5 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 1.9-5.0 9121=97, 2.1/9124=79...(24) Violated in 2 structures by 0.03 A. Peak 11685 from cnoeabs.peaks (0.74, 2.08, 35.91 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.83: QD2 LEU 43 + HG3 GLN 134 OK 83 87 95 100 1.9-5.2 10596/1.8=67...(32) HG12 ILE 129 - HG3 GLN 134 far 0 95 0 - 9.2-12.3 Violated in 3 structures by 0.12 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 1.8-4.2 5.1=100 QD PHE 89 + HB VAL 93 OK 48 48 100 100 3.4-5.2 ~11424=92, ~11326=86...(19) QD PHE 89 - HB3 ARG 135 far 4 85 5 - 7.0-9.2 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 1.8-3.9 10526=100, 10527/1.8=91...(26) HA VAL 132 - HG3 PRO 81 far 0 61 0 - 7.2-10.9 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 4.2-4.4 2478/2.3=92...(21) HA3 GLY 114 - HG3 PRO 117 far 0 65 0 - 6.7-11.4 HA CYS 79 - HG3 PRO 81 far 0 48 0 - 7.9-8.7 HA ILE 80 - HG3 ARG 135 far 0 100 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 11689 from cnoeabs.peaks (1.14, 1.71, 27.30 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HG2 ARG 135 OK 99 99 100 100 2.2-5.2 11659/2.9=73...(37) QG2 VAL 132 + HG2 ARG 135 OK 95 100 95 100 3.7-6.6 3.2/10019=73, ~11783=53...(37) HG2 LYS 39 - HG2 ARG 135 far 0 100 0 - 7.5-10.7 HG3 LYS 39 - HG2 ARG 135 far 0 85 0 - 8.0-11.1 Violated in 1 structures by 0.01 A. Peak 11690 from cnoeabs.peaks (1.11, 2.94, 44.19 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.94: QG1 VAL 132 + HD2 ARG 135 OK 86 90 95 100 2.0-5.3 3.2/10529=61...(30) QG2 VAL 132 + HD2 ARG 135 OK 59 73 80 100 3.4-6.3 3.2/10529=61, ~10635=41...(30) HG2 LYS 39 - HD2 ARG 135 far 0 83 0 - 7.7-12.8 Violated in 3 structures by 0.07 A. Peak 11691 from cnoeabs.peaks (3.25, 0.75, 26.15 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 93 + QD2 LEU 96 OK 100 100 100 100 1.9-2.8 2906=50, ~9974=49...(39) 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 = 0.90: HA LEU 70 + QD2 LEU 96 OK 90 100 100 90 3.2-3.8 11105/11693=38...(12) HA ALA 46 - QD2 LEU 96 far 14 97 15 - 4.9-6.3 HB2 SER 94 - QD2 LEU 96 far 0 87 0 - 6.3-7.3 HB3 SER 50 - QD2 LEU 96 far 0 100 0 - 8.5-11.5 HA LYS 86 - QD2 LEU 96 far 0 100 0 - 9.4-10.5 HA3 GLY 75 - QD2 LEU 96 far 0 85 0 - 9.5-11.5 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 97 3.0-5.6 11105/11810=62...(14) HB2 CYS 45 - QD2 LEU 96 far 0 90 0 - 6.1-8.0 Violated in 1 structures by 0.02 A. Peak 11694 from cnoeabs.peaks (1.66, 0.75, 26.15 ppm; 3.74 A): 1 out of 7 assignments used, quality = 0.82: HB2 LEU 69 + QD2 LEU 96 OK 82 99 85 97 2.0-5.7 3.2/11037=33...(22) HD3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.5-8.5 HD2 LYS 95 - QD2 LEU 96 far 0 99 0 - 6.6-8.5 HB2 LEU 98 - QD2 LEU 96 far 0 97 0 - 6.9-8.9 QB ALA 88 - QD2 LEU 96 far 0 100 0 - 7.5-9.2 HB2 LEU 123 - QD2 LEU 96 far 0 96 0 - 8.1-9.6 HG LEU 43 - QD2 LEU 96 far 0 85 0 - 9.1-10.4 Violated in 6 structures by 0.26 A. Peak 11695 from cnoeabs.peaks (2.13, 0.75, 26.15 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.79: HB2 GLU 97 + QD2 LEU 96 OK 55 100 55 100 3.7-5.7 3.0/11809=66...(31) HB VAL 126 + QD2 LEU 96 OK 54 60 95 95 4.2-5.3 3.0/11807=56, ~11452=37...(13) HG3 GLU 91 - QD2 LEU 96 far 0 71 0 - 7.7-8.8 Violated in 3 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 4.5-7.0 1653/3.0=97, ~9218=76...(14) HB ILE 129 + HB2 SER 130 OK 67 67 100 100 4.0-5.5 7883/3.9=96...(11) HB2 GLN 134 - HB2 SER 130 poor 19 38 50 - 5.6-8.6 HB ILE 129 - HB2 SER 50 far 5 97 5 - 7.5-11.1 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 = 0.98: QD1 LEU 123 + HB2 SER 50 OK 97 97 100 99 2.1-4.4 11772/3.0=67, 3953=38...(26) QG1 VAL 126 + HB2 SER 130 OK 27 55 65 76 3.7-5.8 11745/3.0=37...(9) QD1 LEU 49 - HB2 SER 50 poor 17 71 30 81 3.0-7.1 ~11338=27, 11339/1.8=14...(20) QG1 VAL 126 - HB2 SER 50 poor 17 85 20 - 3.1-6.0 QG2 VAL 126 - HB2 SER 50 far 0 68 0 - 5.4-8.1 QD2 LEU 53 - HB2 SER 50 far 0 60 0 - 5.6-7.8 QD1 LEU 49 - HB2 SER 130 far 0 44 0 - 5.7-9.0 QG2 VAL 126 - HB2 SER 130 far 0 42 0 - 6.2-8.2 QD2 LEU 48 - HB2 SER 50 far 0 60 0 - 6.3-7.9 QD1 LEU 48 - HB2 SER 50 far 0 93 0 - 6.5-9.1 QD1 LEU 123 - HB2 SER 130 far 0 67 0 - 6.8-9.6 QD1 LEU 48 - HB2 SER 130 far 0 63 0 - 7.2-10.9 QD1 LEU 62 - HB2 SER 50 far 0 73 0 - 8.3-10.9 QG2 ILE 37 - HB2 SER 130 far 0 72 0 - 8.7-11.3 QD2 LEU 48 - HB2 SER 130 far 0 36 0 - 9.6-11.1 QG1 VAL 57 - HB2 SER 50 far 0 97 0 - 10.0-11.2 Violated in 3 structures by 0.04 A. Peak 11699 from cnoeabs.peaks (0.78, 3.84, 62.56 ppm; 4.46 A): 2 out of 13 assignments used, quality = 0.91: QD1 LEU 53 + HB2 SER 50 OK 85 96 90 99 3.1-5.8 9218/3.0=67...(19) QD2 LEU 43 + HB2 SER 130 OK 40 40 100 100 1.9-3.6 10509/1.8=80...(22) QD2 LEU 122 - HB2 SER 50 far 5 100 5 - 5.2-11.0 QD2 LEU 49 - HB2 SER 50 far 0 92 0 - 5.4-7.1 QD2 LEU 49 - HB2 SER 130 far 0 61 0 - 6.1-10.0 QD1 LEU 122 - HB2 SER 50 far 0 71 0 - 6.4-10.7 QD1 LEU 96 - HB2 SER 130 far 0 67 0 - 7.3-10.2 QD1 LEU 96 - HB2 SER 50 far 0 97 0 - 7.5-10.4 QD2 LEU 43 - HB2 SER 50 far 0 65 0 - 7.7-9.6 QD1 LEU 53 - HB2 SER 130 far 0 65 0 - 8.1-11.6 QD2 LEU 122 - HB2 SER 130 far 0 71 0 - 8.7-13.3 QD1 LEU 122 - HB2 SER 130 far 0 44 0 - 9.1-12.7 QD2 LEU 119 - HB2 SER 50 far 0 85 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 11700 from cnoeabs.peaks (8.48, 0.80, 26.96 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.71: H LEU 70 + QD2 LEU 49 OK 64 83 85 91 5.0-6.6 3.6/11056=32...(13) H ASP 47 + QD2 LEU 49 OK 21 63 35 95 4.6-6.9 3.6/10951=58...(14) H LEU 100 - QD2 LEU 49 far 0 100 0 - 6.2-8.0 H GLU 97 - QD2 LEU 49 far 0 92 0 - 6.9-9.7 H VAL 132 - QD2 LEU 49 far 0 95 0 - 9.9-12.9 Violated in 13 structures by 0.23 A. Peak 11702 from cnoeabs.peaks (4.01, 0.81, 25.23 ppm; 3.60 A): 2 out of 18 assignments used, quality = 0.84: HA LEU 119 + QD1 LEU 122 OK 69 90 85 90 2.2-6.0 3764/3.1=37, 3759=25...(25) HB3 SER 99 + QD1 LEU 122 OK 49 100 50 98 1.9-5.4 11476/2.1=43, 11476=32...(25) HA GLN 68 - QD1 LEU 70 far 0 50 0 - 4.9-7.3 HA LEU 103 - QD1 LEU 122 far 0 99 0 - 5.1-8.5 HA SER 50 - QD1 LEU 122 far 0 95 0 - 5.2-9.1 HB3 SER 124 - QD1 LEU 122 far 0 83 0 - 6.1-9.0 HB2 SER 124 - QD1 LEU 122 far 0 93 0 - 6.3-9.2 HA LYS 95 - QD1 LEU 70 far 0 57 0 - 6.8-8.5 HA SER 60 - QD1 LEU 122 far 0 100 0 - 6.9-9.5 HA LYS 95 - QD1 LEU 122 far 0 97 0 - 7.2-9.2 HB3 SER 99 - QD1 LEU 70 far 0 61 0 - 7.8-9.5 HA GLN 68 - QD1 LEU 122 far 0 90 0 - 7.8-11.4 HA GLU 91 - QD1 LEU 70 far 0 30 0 - 8.4-11.2 HA LEU 103 - QD1 LEU 70 far 0 59 0 - 9.0-12.1 HB3 SER 51 - QD1 LEU 122 far 0 63 0 - 9.3-12.2 HA LEU 119 - QD1 LEU 70 far 0 50 0 - 9.6-13.4 HA SER 60 - QD1 LEU 70 far 0 61 0 - 9.7-13.6 HA ILE 37 - QD1 LEU 70 far 0 56 0 - 9.8-12.6 Violated in 2 structures by 0.07 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 1.9-5.4 1.8/11834=88...(19) HB2 ASP 71 - QD1 LEU 96 far 0 53 0 - 7.2-9.4 Violated in 2 structures by 0.07 A. Peak 11707 from cnoeabs.peaks (2.88, 0.78, 24.12 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.93: HB3 ASN 59 + QD1 LEU 103 OK 93 97 95 100 2.4-6.3 1.8/11833=88...(20) HE3 LYS 95 - QD1 LEU 96 far 0 68 0 - 8.4-10.1 HE2 LYS 95 - QD1 LEU 96 far 0 68 0 - 9.1-10.0 HB3 ASN 59 - QD1 LEU 96 far 0 64 0 - 9.6-12.5 Violated in 11 structures by 0.22 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 3.0-5.9 11832/2.1=100...(31) HA VAL 63 + QD1 LEU 96 OK 46 69 100 67 5.7-6.9 11009/11388=30...(9) HB2 HIS 67 - QD1 LEU 96 poor 9 45 50 38 6.0-7.8 10034/11388=14...(9) HB2 HIS 67 - QD1 LEU 103 far 8 76 10 - 5.7-10.2 HB3 TYR 72 - QD1 LEU 96 far 4 41 10 - 6.9-8.1 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 5 assignments used, quality = 0.99: QG1 VAL 118 + HA LEU 103 OK 99 99 100 99 2.5-4.5 11705/3.0=40, 11598=36...(17) QG2 VAL 63 + HA LEU 103 OK 44 89 55 91 3.7-5.8 11811/3.6=28, ~10972=26...(21) QD1 LEU 62 - HA LEU 103 far 0 83 0 - 5.3-7.9 QD2 LEU 98 - HA LEU 103 far 0 89 0 - 9.3-11.1 QD1 LEU 49 - HA LEU 103 far 0 85 0 - 9.4-12.7 Violated in 3 structures by 0.02 A. Peak 11710 from cnoeabs.peaks (4.30, 0.78, 24.12 ppm; 5.08 A): 1 out of 7 assignments used, quality = 0.26: HA LEU 69 + QD1 LEU 96 OK 26 38 70 99 5.0-6.5 ~11805=62, ~11694=60...(13) HA ALA 108 - QD1 LEU 103 far 7 65 10 - 3.8-9.6 HA ALA 110 - QD1 LEU 103 far 4 83 5 - 5.6-11.7 HA ALA 109 - QD1 LEU 103 far 0 65 0 - 6.2-10.5 HA GLN 61 - QD1 LEU 103 far 0 76 0 - 7.0-9.0 HA SER 74 - QD1 LEU 96 far 0 61 0 - 7.4-10.5 HA GLN 61 - QD1 LEU 96 far 0 45 0 - 9.9-11.5 Violated in 19 structures by 0.65 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 1.9-5.7 11427/2.1=99...(14) HD22 ASN 121 - QD2 LEU 103 far 14 96 15 - 5.8-9.4 Violated in 0 structures by 0.00 A. Peak 11712 from cnoeabs.peaks (7.43, 0.74, 25.24 ppm; 6.19 A): 3 out of 3 assignments used, quality = 1.00: H LEU 62 + QD2 LEU 103 OK 100 100 100 100 3.7-6.3 2.9/11841=98...(10) HE22 GLN 104 + QD2 LEU 103 OK 100 100 100 100 2.7-6.9 3.5/11828=90...(9) H GLN 61 + QD2 LEU 103 OK 75 98 90 85 4.7-7.4 6749/10350=53...(6) 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 2.0-4.9 11424/2.1=100...(18) Violated in 0 structures by 0.00 A. Peak 11714 from cnoeabs.peaks (8.19, 0.78, 24.12 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.99: H VAL 63 + QD1 LEU 103 OK 95 96 100 100 3.7-5.8 2.9/11835=81, ~11832=58...(14) H LEU 122 + QD1 LEU 103 OK 54 99 75 72 4.3-7.7 11748/11612=33...(14) H LEU 122 + QD1 LEU 96 OK 52 67 80 97 4.7-6.6 2.9/3100=25, 3855/4.0=21...(29) H GLN 127 + QD1 LEU 96 OK 40 66 80 77 5.5-6.1 3.6/11452=46...(6) H VAL 63 - QD1 LEU 96 far 0 62 0 - 7.4-9.0 H GLN 127 - QD1 LEU 103 far 0 99 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 11715 from cnoeabs.peaks (8.21, 0.74, 25.24 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.98: H VAL 63 + QD2 LEU 103 OK 97 97 100 100 2.6-5.5 2.9/11832=82...(16) H SER 107 + QD2 LEU 103 OK 23 76 55 55 3.0-6.7 10103/2.1=14, ~10115=12...(10) H LEU 122 - QD2 LEU 103 poor 15 63 45 54 5.0-7.4 3.5/3386=15...(14) H GLN 127 - QD2 LEU 103 far 0 93 0 - 9.4-12.7 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 8 assignments used, quality = 1.00: HB2 LEU 62 + QD2 LEU 103 OK 99 100 100 99 1.9-4.7 1.8/11823=81...(15) HB VAL 118 + QD2 LEU 103 OK 95 100 95 100 2.5-4.8 ~10265=50, 11611/2.1=46...(31) HB2 GLU 102 - QD2 LEU 103 far 0 73 0 - 4.9-7.5 HG2 PRO 117 - QD2 LEU 103 far 0 100 0 - 6.4-9.4 QE MET 11 - QD2 LEU 103 far 0 89 0 - 6.5-35.7 HG3 PRO 117 - QD2 LEU 103 far 0 99 0 - 7.5-10.5 HG3 PRO 58 - QD2 LEU 103 far 0 93 0 - 7.7-10.3 HG3 PRO 113 - QD2 LEU 103 far 0 100 0 - 8.6-12.6 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 3.2-5.0 7494/7491=70...(26) HB3 GLU 102 - QD2 LEU 103 far 0 99 0 - 6.0-7.3 HB2 GLN 101 - QD2 LEU 103 far 0 90 0 - 6.4-8.4 HG2 GLN 68 - QD2 LEU 103 far 0 98 0 - 7.3-13.6 HB3 GLU 97 - QD2 LEU 103 far 0 99 0 - 7.6-10.8 HB3 LEU 96 - QD2 LEU 103 far 0 93 0 - 8.2-11.2 HB2 GLN 68 - QD2 LEU 103 far 0 100 0 - 8.8-11.6 Violated in 8 structures by 0.05 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 1.8-6.2 3.0/10350=91...(21) Violated in 1 structures by 0.03 A. Peak 11719 from cnoeabs.peaks (2.90, 0.74, 25.24 ppm; 6.11 A): 1 out of 1 assignment used, quality = 0.40: HB3 ASN 116 + QD2 LEU 103 OK 40 60 95 71 4.2-7.0 3.5/11416=35, ~10232=29...(6) Violated in 9 structures by 0.22 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 1.9-5.4 11835/2.1=85...(38) HB2 HIS 67 - QD2 LEU 103 far 0 78 0 - 6.1-9.3 Violated in 1 structures by 0.03 A. Peak 11721 from cnoeabs.peaks (1.13, 0.74, 25.24 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.83: HB3 LEU 62 + QD2 LEU 103 OK 83 89 95 98 2.3-5.2 1.8/11826=52...(15) QG2 THR 115 - QD2 LEU 103 far 0 99 0 - 5.3-8.3 Violated in 1 structures by 0.07 A. Peak 11722 from cnoeabs.peaks (0.91, 0.74, 25.24 ppm; 2.86 A): 3 out of 10 assignments used, quality = 1.00: QG2 VAL 63 + QD2 LEU 103 OK 96 100 100 97 1.7-3.3 2034/11832=28...(37) QG1 VAL 118 + QD2 LEU 103 OK 86 99 90 96 1.7-3.9 11612/2.1=26, ~10265=26...(27) QD1 LEU 62 + QD2 LEU 103 OK 77 99 90 86 2.2-4.4 3.2/11823=32...(19) QD1 LEU 49 - QD2 LEU 103 far 0 99 0 - 5.0-8.8 QD2 LEU 123 - QD2 LEU 103 far 0 78 0 - 6.1-9.4 QG2 VAL 112 - QD2 LEU 103 far 0 89 0 - 6.3-9.1 QD1 LEU 123 - QD2 LEU 103 far 0 81 0 - 7.7-10.3 QD1 LEU 48 - QD2 LEU 103 far 0 89 0 - 7.7-11.4 QD2 LEU 48 - QD2 LEU 103 far 0 100 0 - 7.9-10.8 QD1 LEU 22 - QD2 LEU 103 far 0 96 0 - 9.6-33.8 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 4.0-5.1 ~10535=56, ~10545=56...(22) HA ASN 85 + QG1 VAL 132 OK 48 48 100 100 2.0-3.0 3.0/9790=56, 4.5/9801=53...(23) Violated in 0 structures by 0.00 A. Peak 11724 from cnoeabs.peaks (4.01, 0.79, 26.18 ppm; 3.46 A): 5 out of 18 assignments used, quality = 0.99: HA SER 50 + QD1 LEU 53 OK 88 90 100 98 1.8-3.9 9218=54, 11636/11422=46...(19) HB3 SER 99 + QD2 LEU 122 OK 72 91 80 99 1.9-5.7 11476=54, 1.8/11479=40...(27) HA LEU 119 + QD1 LEU 53 OK 26 95 30 91 3.5-7.4 11845/2.1=62...(22) HA LEU 119 + QD2 LEU 122 OK 25 85 35 85 2.4-5.9 3764/3.1=37, 3759/2.1=19...(22) HA LEU 96 + QD2 LEU 122 OK 22 51 60 72 2.2-5.2 3.0/10337=15...(21) HA SER 50 - QD2 LEU 122 far 0 80 0 - 4.5-9.5 HA LEU 103 - QD2 LEU 122 far 0 93 0 - 4.7-8.6 HB3 SER 124 - QD1 LEU 53 far 0 89 0 - 5.3-7.9 HA LYS 95 - QD2 LEU 122 far 0 91 0 - 5.7-8.5 HB2 SER 124 - QD2 LEU 122 far 0 78 0 - 6.3-8.4 HB3 SER 99 - QD1 LEU 53 far 0 99 0 - 6.4-10.5 HB3 SER 124 - QD2 LEU 122 far 0 78 0 - 6.5-8.3 HB2 SER 124 - QD1 LEU 53 far 0 89 0 - 6.6-8.4 HA LEU 96 - QD1 LEU 53 far 0 60 0 - 6.7-10.8 HA SER 60 - QD2 LEU 122 far 0 93 0 - 7.5-10.6 HA GLN 68 - QD2 LEU 122 far 0 74 0 - 7.9-11.1 HA LEU 103 - QD1 LEU 53 far 0 100 0 - 8.4-13.8 HA SER 60 - QD1 LEU 53 far 0 100 0 - 8.7-14.1 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 = 0.88: HA LEU 119 + QD2 LEU 53 OK 75 97 85 91 1.9-7.5 2.9/1680=27, 2.8/1685=20...(22) HA SER 50 + QD2 LEU 53 OK 50 85 60 97 3.4-6.0 10373/2.1=70...(11) HB3 SER 99 - QD2 LEU 53 far 0 97 0 - 5.7-11.3 HB3 SER 124 - QD2 LEU 53 far 0 93 0 - 5.9-8.5 HA LEU 96 - QD2 LEU 53 far 0 68 0 - 6.9-11.9 HA LEU 103 - QD2 LEU 53 far 0 100 0 - 7.1-13.9 HB2 SER 124 - QD2 LEU 53 far 0 83 0 - 7.2-9.0 HA SER 60 - QD2 LEU 53 far 0 99 0 - 8.1-14.6 Violated in 3 structures by 0.04 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 98 100 100 98 2.2-4.9 2.1/10038=77...(7) QD2 LEU 123 + HA LEU 53 OK 43 68 85 75 3.8-6.2 9275/9263=34...(8) QD1 LEU 49 - HA LEU 53 far 10 100 10 - 4.2-8.6 QD1 LEU 123 - HA LEU 53 far 0 89 0 - 5.0-6.6 QG1 VAL 118 - HA LEU 53 far 0 97 0 - 6.3-9.5 QD2 LEU 48 - HA LEU 53 far 0 100 0 - 7.2-7.8 QD1 LEU 48 - HA LEU 53 far 0 95 0 - 7.3-10.2 QG2 VAL 63 - HA LEU 53 far 0 100 0 - 8.0-11.1 QG2 VAL 112 - HA LEU 53 far 0 95 0 - 9.2-12.3 Violated in 2 structures by 0.03 A. Peak 11728 from cnoeabs.peaks (8.04, 0.79, 26.18 ppm; 4.95 A): 3 out of 8 assignments used, quality = 0.99: H ALA 52 + QD1 LEU 53 OK 96 96 100 100 3.1-5.3 3.3/6667=84, 10963=72...(21) H CYS 125 + QD2 LEU 122 OK 55 93 60 99 3.8-6.4 10366=52, 3.9/11828=49...(19) H CYS 125 + QD1 LEU 53 OK 35 100 50 70 5.1-7.2 3.4/11585=38...(11) H LEU 48 - QD1 LEU 53 far 0 100 0 - 6.5-9.5 H ALA 52 - QD2 LEU 122 far 0 86 0 - 7.1-10.8 H SER 130 - QD2 LEU 122 far 0 92 0 - 7.5-11.5 H SER 130 - QD1 LEU 53 far 0 100 0 - 7.7-11.1 H LEU 48 - QD2 LEU 122 far 0 92 0 - 8.2-12.0 Violated in 0 structures by 0.00 A. Peak 11730 from cnoeabs.peaks (8.49, 1.79, 41.89 ppm; 4.99 A): 4 out of 10 assignments used, quality = 0.99: H LEU 100 + HB3 LEU 98 OK 82 91 90 100 4.5-6.0 10020/1.8=46, ~3166=43...(33) H LEU 100 + HB3 LEU 122 OK 69 100 70 99 2.6-7.1 10026/3.1=52, 7399=32...(29) H GLU 97 + HB3 LEU 98 OK 65 87 75 100 4.4-6.1 3.9/7364=75...(12) H LEU 100 + HB3 LEU 103 OK 59 100 60 98 4.4-7.9 10047/3.9=44, ~3370=40...(22) H GLU 97 - HB3 LEU 122 far 15 97 15 - 5.5-9.0 H LEU 70 - HB3 LEU 122 far 0 70 0 - 8.4-10.9 H SER 9 - HB3 LEU 98 far 0 91 0 - 8.8-59.1 H LEU 70 - HB2 LEU 48 far 0 43 0 - 8.9-12.9 H GLU 97 - HB3 LEU 103 far 0 97 0 - 8.9-12.6 H LEU 70 - HB3 LEU 103 far 0 71 0 - 9.4-14.2 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 - 5.8-8.2 H ALA 92 - HG LEU 98 far 0 98 0 - 8.8-10.7 Violated in 20 structures by 2.51 A. Peak 11738 from cnoeabs.peaks (2.95, 4.35, 56.69 ppm; 4.45 A): 4 out of 10 assignments used, quality = 0.95: HE2 LYS 39 + HA GLN 134 OK 71 92 85 91 2.0-6.8 2.9/11683=42...(10) HE3 LYS 39 + HA GLN 134 OK 67 85 90 87 2.0-7.8 2.9/11683=42...(9) HE2 LYS 24 + HA LYS 24 OK 31 45 70 99 2.2-6.3 4.0/513=54, 4.0/524=51...(20) HE3 LYS 24 + HA LYS 24 OK 28 40 70 99 2.5-6.3 4.0/513=54, 4.0/524=51...(20) HD2 ARG 135 - HA GLN 134 far 5 99 5 - 4.2-8.0 HE2 LYS 26 - HA LYS 24 far 3 33 10 - 4.7-11.4 HE2 LYS 31 - HA LYS 24 far 2 37 5 - 2.3-21.4 HE3 LYS 31 - HA LYS 24 far 2 33 5 - 2.7-21.1 HE3 LYS 26 - HA LYS 24 far 2 33 5 - 3.9-9.7 HB2 CYS 45 - HA ASP 47 far 0 90 0 - 7.5-8.0 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 2.3-4.7 2.1/11074=99...(24) HG12 ILE 129 - HB3 GLN 134 far 0 63 0 - 9.6-12.2 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 3.1-5.2 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; 4.42 A): 1 out of 3 assignments used, quality = 0.47: HG3 LYS 86 + QG1 VAL 77 OK 47 85 55 100 3.2-6.0 1.8/9650=88...(29) HG LEU 42 - QG1 VAL 77 far 0 99 0 - 8.3-9.4 HG LEU 69 - QG1 VAL 77 far 0 81 0 - 8.5-11.9 Violated in 16 structures by 0.85 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 1.8-2.4 1.8/11743=65...(31) QB ALA 92 - QG2 VAL 77 far 0 99 0 - 6.2-7.4 QB ALA 16 - QG2 VAL 77 far 0 87 0 - 7.4-28.9 QB ALA 34 - QG2 VAL 77 far 0 100 0 - 7.7-12.3 HG3 LYS 19 - QG2 VAL 77 far 0 81 0 - 8.4-30.9 HG LEU 96 - QG2 VAL 77 far 0 71 0 - 9.5-11.0 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 3 assignments used, quality = 0.78: HG3 LYS 86 + QG2 VAL 77 OK 78 78 100 100 1.9-4.0 1.8/11742=81...(28) HG LEU 42 - QG2 VAL 77 far 0 97 0 - 8.1-9.8 HG LEU 69 - QG2 VAL 77 far 0 87 0 - 9.4-11.5 Violated in 2 structures by 0.02 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 1.9-3.6 11776/11747=80...(24) Violated in 0 structures by 0.00 A. Peak 11745 from cnoeabs.peaks (0.93, 3.78, 62.15 ppm; 5.25 A): 1 out of 6 assignments used, quality = 0.63: QG1 VAL 126 + HA SER 130 OK 63 76 100 83 5.2-6.1 10409/11864=39...(7) QD1 LEU 49 - HA SER 130 far 0 81 0 - 7.1-10.6 QG2 VAL 126 - HA SER 130 far 0 57 0 - 7.2-8.1 QG2 ILE 37 - HA SER 130 far 0 100 0 - 8.5-9.9 QD1 LEU 123 - HA SER 130 far 0 99 0 - 8.8-10.4 QD1 LEU 48 - HA SER 130 far 0 97 0 - 8.9-11.8 Violated in 18 structures by 0.39 A. Peak 11746 from cnoeabs.peaks (0.82, 3.78, 62.15 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + HA SER 130 OK 100 100 100 100 3.1-4.1 4143/2.9=80, 11231=57...(28) QG1 VAL 133 + HA SER 130 OK 85 85 100 100 1.8-4.6 2.1/11861=77...(25) QD2 LEU 49 - HA SER 130 far 0 81 0 - 7.4-10.5 HG13 ILE 80 - HA SER 130 far 0 99 0 - 7.7-9.9 QG2 ILE 80 - HA SER 130 far 0 100 0 - 7.7-9.9 QD1 LEU 53 - HA SER 130 far 0 73 0 - 9.6-13.0 QD1 LEU 70 - HA SER 130 far 0 100 0 - 9.9-12.9 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 1.8-2.0 11805/3.0=64...(35) HG12 ILE 129 - HA SER 130 far 0 100 0 - 5.8-6.4 QD2 LEU 96 - HA SER 130 far 0 100 0 - 7.1-7.7 QD1 LEU 96 - HA SER 130 far 0 85 0 - 8.5-9.7 QG1 VAL 93 - HA SER 130 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 11752 from cnoeabs.peaks (3.33, 1.18, 22.07 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: HB3 PHE 89 + QG2 VAL 77 OK 100 100 100 100 2.0-4.6 2.7/9677=95, 4.5/9676=66...(25) HB2 PHE 89 + QG2 VAL 77 OK 87 87 100 100 2.0-4.6 2.7/9677=95, 4.5/9676=66...(29) HB3 CYS 73 - QG2 VAL 77 poor 19 97 20 - 4.9-7.5 HB3 TYR 72 - QG2 VAL 77 far 0 99 0 - 8.1-9.9 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 4.5-6.3 11865/2.1=99...(19) 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 2.3-4.0 2.9/11192=79...(20) 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 6 assignments used, quality = 0.93: HA HIS 10 + HB3 SER 9 OK 73 76 100 97 3.9-5.6 ~6054=56, ~100=54...(6) HA HIS 10 + HB2 SER 9 OK 73 76 100 96 3.8-5.7 ~6054=56, ~100=54...(6) HA HIS 7 - HB3 SER 9 far 4 76 5 - 4.2-9.6 HA HIS 7 - HB2 SER 9 far 4 76 5 - 5.3-9.6 HA ASN 13 - HB3 SER 9 far 0 96 0 - 7.6-14.7 HA ASN 13 - HB2 SER 9 far 0 96 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 11758 from cnoeabs.peaks (8.42, 2.47, 31.70 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: H MET 11 + HG2 MET 11 OK 100 100 100 100 1.9-3.9 6069=99, 6067/2.9=95...(7) H ALA 12 + HG2 MET 11 OK 65 65 100 99 3.4-5.0 3.6/130=78, 4.6/6069=61...(7) H ASN 13 - HG2 MET 11 far 8 85 10 - 3.6-8.7 H GLN 27 - HG2 MET 11 far 0 57 0 - 8.0-33.3 Violated in 0 structures by 0.00 A. Peak 11759 from cnoeabs.peaks (1.37, 2.81, 38.79 ppm; 5.44 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 12 + HB2 ASN 13 OK 96 97 100 100 4.8-5.2 6085/6087=90...(6) QB ALA 15 + HB2 ASN 13 OK 59 96 90 68 3.4-7.7 10659/6107=45...(4) QB ALA 21 - HB2 ASN 13 far 0 60 0 - 7.1-15.7 HG2 LYS 19 - HB2 ASN 13 far 0 99 0 - 8.1-14.9 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 14 assignments used, quality = 0.97: QG2 THR 18 + HA LYS 19 OK 94 100 95 99 2.8-5.2 6147/3.0=52, ~6146=43...(14) QG2 THR 25 + HA LYS 26 OK 45 92 50 98 3.0-5.6 6248/2.9=70, ~6247=45...(17) QB ALA 41 - HA LYS 36 poor 18 70 30 86 2.0-6.4 10904/6403=51...(7) QG2 THR 18 - HA LYS 31 far 4 89 5 - 4.4-19.8 HG12 ILE 32 - HA LYS 31 far 0 83 0 - 5.2-5.8 HG12 ILE 32 - HA LYS 26 far 0 95 0 - 5.5-12.1 QG2 THR 25 - HA LYS 19 far 0 93 0 - 6.2-14.4 HG12 ILE 32 - HA LYS 19 far 0 97 0 - 6.6-20.9 HG12 ILE 32 - HA LYS 36 far 0 64 0 - 6.8-11.2 QG2 THR 25 - HA LYS 36 far 0 61 0 - 7.2-17.8 QG2 THR 18 - HA LYS 26 far 0 100 0 - 7.4-15.1 QG2 THR 25 - HA LYS 31 far 0 79 0 - 7.5-15.1 QB ALA 41 - HA LYS 31 far 0 89 0 - 9.4-14.2 HG3 LYS 39 - HA LYS 36 far 0 56 0 - 9.8-13.1 Violated in 2 structures by 0.02 A. Peak 11764 from cnoeabs.peaks (0.90, 4.27, 56.54 ppm; 4.48 A): 1 out of 15 assignments used, quality = 0.99: QG1 VAL 20 + HA LYS 19 OK 99 99 100 100 4.1-5.1 348/6160=82...(18) QD1 LEU 22 - HA LYS 19 far 15 99 15 - 3.9-10.2 QD1 LEU 22 - HA LYS 26 far 15 98 15 - 4.5-11.5 QD1 LEU 22 - HA LYS 31 far 13 87 15 - 4.6-21.1 QG2 VAL 20 - HA LYS 19 far 10 97 10 - 4.9-6.1 QG1 VAL 20 - HA LYS 31 far 4 87 5 - 4.6-17.6 QG2 VAL 20 - HA LYS 31 far 4 84 5 - 4.8-17.6 QG1 VAL 20 - HA LYS 26 far 0 99 0 - 6.0-13.2 QG2 VAL 20 - HA LYS 36 far 0 65 0 - 6.1-23.5 QG2 VAL 20 - HA LYS 26 far 0 96 0 - 6.2-11.8 QG1 VAL 20 - HA LYS 36 far 0 69 0 - 7.2-24.0 QD1 LEU 48 - HA LYS 36 far 0 48 0 - 8.1-16.2 QD1 LEU 48 - HA LYS 26 far 0 77 0 - 8.2-28.6 QD2 LEU 48 - HA LYS 26 far 0 98 0 - 9.4-30.8 QD1 LEU 49 - HA LYS 36 far 0 64 0 - 9.9-18.0 Violated in 9 structures by 0.08 A. Peak 11770 from cnoeabs.peaks (2.97, 4.27, 56.54 ppm; 4.48 A): 6 out of 32 assignments used, quality = 1.00: HE3 LYS 19 + HA LYS 19 OK 71 100 75 94 4.2-6.1 6.4=35, 3.8/627=24...(35) HE2 LYS 31 + HA LYS 31 OK 67 89 80 94 2.0-6.1 6.5=33, 3.7/822=27...(27) HE3 LYS 26 + HA LYS 26 OK 63 100 70 90 3.2-6.0 6.6=31, 3.6/627=26...(22) HE2 LYS 26 + HA LYS 26 OK 54 100 60 90 2.8-6.5 6.6=31, 3.6/627=26...(23) HE3 LYS 31 + HA LYS 31 OK 50 89 60 94 2.6-6.0 6.5=33, 3.7/822=27...(27) HE2 LYS 19 + HA LYS 19 OK 42 99 45 95 4.1-6.6 6.4=35, 3.8/627=24...(35) HE3 LYS 36 - HA LYS 36 poor 17 69 25 - 4.7-6.5 HE3 LYS 24 - HA LYS 19 far 10 100 10 - 4.4-14.4 HE2 LYS 24 - HA LYS 19 far 10 97 10 - 3.8-14.9 HE3 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-22.2 HE2 LYS 31 - HA LYS 19 far 5 100 5 - 4.9-21.3 HE3 LYS 26 - HA LYS 31 far 4 89 5 - 4.7-17.0 HE2 LYS 36 - HA LYS 36 far 0 66 0 - 5.6-6.5 HE3 LYS 19 - HA LYS 31 far 0 89 0 - 6.1-21.9 HE2 LYS 26 - HA LYS 31 far 0 89 0 - 6.2-16.8 HB2 CYS 45 - HA LYS 36 far 0 44 0 - 6.4-13.8 HE2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-14.4 HE2 LYS 19 - HA LYS 31 far 0 86 0 - 6.8-21.9 HE3 LYS 24 - HA LYS 26 far 0 99 0 - 7.1-11.8 HE3 LYS 31 - HA LYS 26 far 0 100 0 - 7.5-13.4 HE2 LYS 36 - HA LYS 31 far 0 85 0 - 8.0-12.2 HE3 LYS 31 - HA LYS 36 far 0 70 0 - 8.1-14.2 HE2 LYS 19 - HA LYS 26 far 0 98 0 - 8.3-17.6 HE3 LYS 26 - HA LYS 36 far 0 70 0 - 8.3-21.5 HE2 LYS 24 - HA LYS 26 far 0 95 0 - 8.5-12.2 HE2 LYS 26 - HA LYS 19 far 0 100 0 - 8.6-20.6 HE3 LYS 36 - HA LYS 31 far 0 88 0 - 8.7-12.9 HE3 LYS 24 - HA LYS 31 far 0 88 0 - 8.7-23.8 HE3 LYS 19 - HA LYS 26 far 0 100 0 - 8.7-18.1 HE2 LYS 26 - HA LYS 36 far 0 70 0 - 8.7-21.8 HE2 LYS 24 - HA LYS 31 far 0 83 0 - 9.1-23.8 HE2 LYS 31 - HA LYS 36 far 0 70 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 11771 from cnoeabs.peaks (0.92, 4.29, 52.41 ppm; 3.31 A): 1 out of 23 assignments used, quality = 0.75: QG2 VAL 112 + HA ALA 109 OK 75 83 95 95 2.2-6.5 11548/2.1=47...(12) QG2 VAL 112 - HA ALA 110 far 11 73 15 - 3.4-5.6 QG1 VAL 20 - HA ALA 21 far 9 93 10 - 3.4-5.9 QG1 VAL 20 - HA ALA 16 far 6 63 10 - 3.2-9.2 QD1 LEU 22 - HA ALA 21 far 3 65 5 - 3.7-6.7 QG2 VAL 63 - HA ALA 108 far 0 46 0 - 4.2-9.5 QG1 VAL 20 - HA ALA 15 far 0 88 0 - 5.3-11.4 QG2 VAL 112 - HA ALA 108 far 0 51 0 - 5.4-7.5 QD1 LEU 119 - HA ALA 110 far 0 54 0 - 5.9-11.0 QG2 VAL 63 - HA ALA 110 far 0 67 0 - 5.9-10.9 QG1 VAL 118 - HA ALA 108 far 0 34 0 - 6.1-11.4 QD1 LEU 119 - HA ALA 108 far 0 36 0 - 6.4-11.9 QD1 LEU 62 - HA ALA 108 far 0 49 0 - 6.5-12.0 QD1 LEU 62 - HA ALA 110 far 0 70 0 - 6.6-11.7 QG1 VAL 118 - HA ALA 109 far 0 58 0 - 6.7-11.8 QG1 VAL 20 - HA ALA 12 far 0 90 0 - 6.8-17.4 QD1 LEU 119 - HA ALA 109 far 0 62 0 - 6.9-10.1 QG1 VAL 57 - HA ALA 110 far 0 41 0 - 7.4-15.4 QD1 LEU 22 - HA ALA 110 far 0 41 0 - 7.5-43.4 QG2 VAL 63 - HA ALA 109 far 0 77 0 - 7.6-10.3 QD1 LEU 62 - HA ALA 109 far 0 80 0 - 8.2-11.2 QD1 LEU 22 - HA ALA 16 far 0 40 0 - 8.4-13.5 QG1 VAL 118 - HA ALA 110 far 0 50 0 - 8.6-13.4 Violated in 13 structures by 0.34 A. Peak 11772 from cnoeabs.peaks (4.00, 0.93, 23.65 ppm; 3.24 A): 1 out of 23 assignments used, quality = 0.87: HA SER 50 + QD1 LEU 123 OK 87 100 95 92 1.9-4.2 11636/2.1=57...(18) HA SER 50 - QD1 LEU 49 poor 19 53 35 - 2.5-6.0 HB3 SER 51 - QD2 LEU 48 poor 11 35 30 - 3.3-5.6 HA GLN 127 - QD1 LEU 123 far 7 65 10 - 4.1-5.6 HA THR 65 - QD1 LEU 49 poor 6 29 20 - 3.9-7.1 HA GLN 127 - QD1 LEU 49 far 1 28 5 - 3.1-7.7 HA THR 65 - QD2 LEU 48 far 0 23 0 - 4.1-6.6 HB2 SER 124 - QD1 LEU 123 far 0 100 0 - 4.3-5.4 HA LEU 119 - QD1 LEU 49 far 0 25 0 - 5.4-8.7 HA GLN 68 - QD1 LEU 49 far 0 53 0 - 5.7-10.1 HA LEU 119 - QD1 LEU 123 far 0 60 0 - 6.1-7.4 HB3 SER 51 - QD1 LEU 123 far 0 92 0 - 6.2-8.7 HB3 SER 51 - QD1 LEU 49 far 0 44 0 - 6.2-8.2 HA SER 50 - QD2 LEU 48 far 0 43 0 - 6.3-7.1 HB2 SER 124 - QD1 LEU 49 far 0 53 0 - 7.0-10.7 HB3 SER 99 - QD1 LEU 49 far 0 50 0 - 7.5-10.0 HB3 SER 99 - QD1 LEU 123 far 0 98 0 - 8.0-9.9 HA SER 60 - QD1 LEU 49 far 0 46 0 - 8.4-12.1 HA GLN 68 - QD2 LEU 48 far 0 42 0 - 8.6-11.1 HA GLN 127 - QD2 LEU 48 far 0 22 0 - 9.4-10.5 HA LEU 103 - QD1 LEU 49 far 0 38 0 - 9.4-12.7 HA ILE 37 - QD1 LEU 49 far 0 32 0 - 9.4-14.4 HA SER 60 - QD2 LEU 48 far 0 37 0 - 9.8-11.3 Violated in 6 structures by 0.14 A. Peak 11773 from cnoeabs.peaks (0.87, 3.84, 62.56 ppm; 5.18 A): 2 out of 8 assignments used, quality = 0.98: QD2 LEU 123 + HB2 SER 50 OK 97 97 100 100 1.9-5.5 11636/3.0=88...(22) QD2 LEU 69 + HB2 SER 130 OK 22 71 50 62 4.6-8.0 11045/11718=54...(3) QD2 LEU 69 - HB2 SER 50 far 5 100 5 - 5.4-8.6 QD2 LEU 123 - HB2 SER 130 far 0 67 0 - 7.1-11.2 QG2 VAL 57 - HB2 SER 50 far 0 96 0 - 8.7-9.7 QD2 LEU 70 - HB2 SER 50 far 0 87 0 - 9.1-12.8 QD2 LEU 70 - HB2 SER 130 far 0 57 0 - 9.3-11.7 QG1 VAL 118 - HB2 SER 50 far 0 71 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 11774 from cnoeabs.peaks (0.94, 4.42, 61.58 ppm; 5.87 A): 2 out of 11 assignments used, quality = 0.93: QD1 LEU 123 + HA THR 54 OK 82 97 85 100 5.2-8.2 ~11510=77, ~11583=76...(8) QD2 LEU 53 + HA THR 54 OK 63 63 100 100 2.3-5.9 ~9278=67, ~9278=66...(8) QD1 LEU 119 - HA THR 54 lone 1 100 30 4 5.8-9.0 10282/3.6=2 QD1 LEU 62 - HA THR 54 lone 1 71 40 2 6.2-8.6 QD1 LEU 49 - HA THR 54 far 0 68 0 - 7.5-11.7 QG1 VAL 57 - HA THR 54 far 0 97 0 - 7.7-8.1 QG1 VAL 126 - HA THR 54 far 0 87 0 - 9.2-12.6 QD2 LEU 48 - HA THR 54 far 0 57 0 - 9.2-9.7 QD1 LEU 48 - HA THR 54 far 0 92 0 - 9.7-12.1 QG1 VAL 112 - HA THR 54 far 0 60 0 - 9.8-14.2 QG2 VAL 126 - HA THR 54 far 0 71 0 - 9.8-14.0 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 2 assignments used, quality = 0.98: QG2 VAL 77 + HE2 LYS 86 OK 98 98 100 100 1.9-4.3 11196=97, 9660/1.8=75...(21) HG12 ILE 80 - HE2 LYS 86 far 4 81 5 - 4.9-8.3 Violated in 1 structures by 0.01 A. Peak 11776 from cnoeabs.peaks (1.05, 3.07, 41.80 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 77 + HE2 LYS 86 OK 93 97 95 100 1.9-6.6 11201=94, 2.1/11196=88...(20) QG2 VAL 133 - HE2 LYS 86 far 0 97 0 - 7.6-12.0 Violated in 4 structures by 0.13 A. Peak 11777 from cnoeabs.peaks (0.82, 3.07, 41.80 ppm; 4.95 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + HE2 LYS 86 OK 99 99 100 100 2.1-5.3 11243=99, 3.1/11220=66...(32) HG13 ILE 80 + HE2 LYS 86 OK 30 100 30 100 4.4-7.4 2.1/11220=77...(34) QG1 VAL 133 - HE2 LYS 86 far 0 89 0 - 6.9-10.2 QG2 ILE 129 - HE2 LYS 86 far 0 100 0 - 8.2-10.1 QD1 LEU 70 - HE2 LYS 86 far 0 100 0 - 9.8-15.4 Violated in 3 structures by 0.02 A. Peak 11778 from cnoeabs.peaks (1.74, 3.89, 60.84 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: HB ILE 80 + HA LYS 86 OK 99 99 100 100 3.0-4.0 9729=99, 3.2/9727=91...(32) HG3 ARG 90 + HA LYS 86 OK 91 97 95 99 4.2-6.2 11303/11193=72...(20) HG13 ILE 129 - HA LYS 86 far 0 100 0 - 7.7-11.1 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 4.7-5.6 2.1/9818=100, ~9663=94...(26) 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 3 assignments used, quality = 0.99: HD2 LYS 86 + HA ASP 78 OK 95 100 100 95 2.5-4.7 11180/9695=72...(7) HD3 LYS 86 + HA ASP 78 OK 78 100 100 78 2.6-5.2 ~11209=37...(7) HD3 LYS 19 - HA ASP 78 far 0 96 0 - 10.0-36.3 Violated in 0 structures by 0.00 A. Peak 11790 from cnoeabs.peaks (7.55, 3.07, 41.80 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.64: H VAL 77 + HE2 LYS 86 OK 64 100 65 99 5.0-8.5 7043/11201=87...(5) H GLN 82 - HE2 LYS 86 far 15 98 15 - 5.0-9.5 Violated in 9 structures by 0.65 A. Peak 11791 from cnoeabs.peaks (7.48, 3.07, 41.80 ppm; 5.94 A): 0 out of 0 assignments used, quality = 0.00: Peak 11792 from cnoeabs.peaks (1.60, 0.60, 25.62 ppm; 4.79 A): 4 out of 6 assignments used, quality = 1.00: HG LEU 70 + QD1 LEU 100 OK 97 97 100 100 2.6-4.4 2.1/11115=96...(18) HG LEU 122 + QD1 LEU 100 OK 80 100 80 100 3.0-6.7 2.1/9487=48, 3887/2.1=38...(33) HB2 LEU 122 + QD1 LEU 100 OK 74 99 75 100 2.3-6.8 3.1/9487=43, 3870/2.1=35...(39) HB2 LEU 103 + QD1 LEU 100 OK 32 73 45 98 5.0-7.4 10972/10973=51...(22) HG LEU 49 - QD1 LEU 100 far 9 60 15 - 4.8-8.7 HG LEU 119 - QD1 LEU 100 far 0 83 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 11793 from cnoeabs.peaks (1.59, 0.68, 23.19 ppm; 3.40 A): 4 out of 12 assignments used, quality = 0.75: HB2 LEU 103 + QD2 LEU 100 OK 40 61 80 82 2.7-5.1 10972/10974=26...(18) HG LEU 122 + QD2 LEU 100 OK 31 54 60 95 2.2-5.4 3887/2.1=21, ~9487=19...(32) HB2 LEU 122 + QD2 LEU 100 OK 22 48 50 92 3.6-5.9 3870/2.1=17, ~9487=13...(34) HG LEU 49 + QD2 LEU 62 OK 22 90 40 61 3.5-6.2 10992/9432=28...(8) HG LEU 122 - QD2 LEU 62 far 5 90 5 - 4.3-7.1 HG LEU 123 - QD2 LEU 62 far 0 81 0 - 4.7-7.9 HB2 LEU 122 - QD2 LEU 62 far 0 83 0 - 4.8-7.3 HG LEU 49 - QD2 LEU 100 far 0 54 0 - 4.9-8.6 HG LEU 70 - QD2 LEU 100 far 0 43 0 - 5.1-6.4 HB2 LEU 103 - QD2 LEU 62 far 0 97 0 - 5.7-8.4 HG LEU 123 - QD2 LEU 100 far 0 47 0 - 8.6-10.7 HG LEU 70 - QD2 LEU 62 far 0 76 0 - 9.5-12.1 Violated in 1 structures by 0.01 A. Peak 11794 from cnoeabs.peaks (4.45, 1.39, 19.38 ppm; 5.22 A): 6 out of 18 assignments used, quality = 0.99: HA SER 106 + QB ALA 108 OK 79 83 95 100 3.2-6.6 11532=84, 7546/10101=75...(11) HA VAL 112 + QB ALA 109 OK 62 65 95 100 2.9-8.6 3.2/10135=78...(17) HA PRO 58 + QB ALA 109 OK 50 99 60 83 4.8-9.9 6709/9349=54, 10925=46...(5) HA PRO 58 + QB ALA 110 OK 38 83 50 91 3.9-10.4 2.3/10930=70, 10925=47...(6) HA SER 106 + QB ALA 109 OK 30 97 40 77 3.3-8.8 11465/4.6=61...(6) HA VAL 112 + QB ALA 110 OK 28 49 65 89 4.8-7.0 ~11478=34, 3.2/11540=34...(10) HA MET 11 - QB ALA 15 far 7 47 15 - 4.3-11.9 HA ASP 64 - QB ALA 29 far 6 63 10 - 5.4-21.7 HA PRO 58 - QB ALA 108 far 4 86 5 - 4.4-10.4 HA SER 106 - QB ALA 110 far 4 79 5 - 4.1-11.0 HA VAL 112 - QB ALA 108 far 0 52 0 - 6.6-9.8 HA ASP 64 - QB ALA 28 far 0 68 0 - 6.6-23.2 HA ASP 64 - QB ALA 15 far 0 74 0 - 7.1-32.7 HA MET 11 - QB ALA 16 far 0 25 0 - 7.7-13.6 HA ASP 64 - QB ALA 16 far 0 42 0 - 8.5-33.4 HA ASP 64 - QB ALA 110 far 0 79 0 - 9.2-16.4 HA ASN 120 - QB ALA 109 far 0 73 0 - 9.9-14.3 HA ASP 64 - QB ALA 108 far 0 83 0 - 9.9-15.4 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 3.3-4.9 10639=99, 1.8/10638=87...(19) HB2 ARG 84 - HA VAL 132 far 0 97 0 - 7.4-10.6 HB2 LYS 86 - HA VAL 132 far 0 73 0 - 9.4-10.4 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 2.0-4.5 10638=100, 1.8/11884=92...(21) HB3 ARG 84 - HA VAL 132 far 0 100 0 - 8.1-10.2 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 = 1.00: HG2 LYS 39 + HB VAL 133 OK 100 100 100 100 3.4-4.6 ~10567=53, ~11767=47...(23) HG3 LYS 39 + HB VAL 133 OK 76 76 100 100 3.1-5.1 10873/9087=51, ~11767=47...(21) QG1 VAL 132 + HB VAL 133 OK 50 100 50 100 4.8-6.1 10538/3.0=75...(24) QG2 VAL 132 - HB VAL 133 far 0 100 0 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 11799 from cnoeabs.peaks (1.14, 3.77, 65.08 ppm; 4.20 A): 3 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HA VAL 133 OK 99 99 100 100 3.3-4.4 10538=93, 11738/9726=54...(35) HG2 LYS 39 + HA VAL 133 OK 58 100 60 97 4.4-6.9 ~10567=33, 11886/3.0=28...(22) HG3 LYS 39 + HA VAL 133 OK 21 87 25 96 4.8-7.0 ~11767=28, ~11671=26...(21) QG2 VAL 132 - HA VAL 133 far 0 100 0 - 5.1-5.4 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 2.5-3.5 11891/2.1=81...(17) 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 1.8-3.1 2.2/9107=82...(19) 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 4.1-5.0 7935/10587=98...(12) H ASP 71 - QD2 LEU 42 far 0 97 0 - 7.5-8.4 H GLU 91 - QD2 LEU 42 far 0 78 0 - 8.9-10.0 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 3.3-5.4 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 2.3-4.4 9055=96, 9055/2.1=74...(19) HB2 SER 130 + QD1 LEU 43 OK 77 81 95 100 3.1-5.5 11805/2.1=89, ~10509=62...(21) HD2 PRO 81 - QD1 LEU 43 far 0 98 0 - 6.8-10.2 HB2 SER 50 - QD1 LEU 43 far 0 100 0 - 8.7-11.4 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 1.9-3.6 1.8/10509=63...(21) HA GLU 40 - QD2 LEU 43 far 15 99 15 - 4.2-5.8 HD2 PRO 81 - QD2 LEU 43 far 0 100 0 - 6.1-11.1 HB2 SER 50 - QD2 LEU 43 far 0 96 0 - 7.7-9.6 HA LEU 123 - QD2 LEU 43 far 0 100 0 - 9.5-11.0 Violated in 0 structures by 0.00 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 2.0-4.8 ~11073=37, 4.0/9119=36...(37) HG3 LYS 39 + QD1 LEU 43 OK 86 87 100 99 1.9-3.5 11073/2.1=53...(35) QG1 VAL 132 - QD1 LEU 43 far 0 99 0 - 6.6-7.9 QG2 VAL 132 - QD1 LEU 43 far 0 100 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 11807 from cnoeabs.peaks (1.02, 0.70, 25.73 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.73: QG2 VAL 133 + QD1 LEU 43 OK 73 73 100 100 1.9-4.2 2.1/11677=90...(29) QD1 LEU 69 - QD1 LEU 43 far 0 99 0 - 6.1-7.6 Violated in 0 structures by 0.00 A. Peak 11809 from cnoeabs.peaks (1.51, 0.91, 26.02 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.63: HB2 LEU 53 + QD1 LEU 62 OK 63 98 65 100 3.4-6.4 3.0/11727=47, ~10338=47...(17) HB2 LEU 49 - QD1 LEU 62 far 5 92 5 - 5.1-9.2 HG LEU 69 - QD1 LEU 62 far 0 100 0 - 8.7-11.7 Violated in 11 structures by 0.60 A. Peak 11810 from cnoeabs.peaks (7.91, 0.78, 21.57 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.87: H GLN 104 + QG1 VAL 63 OK 87 87 100 100 2.8-4.7 3.0/10979=68...(24) H SER 106 - QG1 VAL 63 far 9 90 10 - 5.8-7.6 HD22 ASN 116 - QG1 VAL 63 far 0 100 0 - 7.6-9.9 H VAL 112 - QG1 VAL 63 far 0 83 0 - 9.7-12.1 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 7 assignments used, quality = 0.99: H GLN 104 + QG2 VAL 63 OK 99 99 100 100 2.3-3.8 7496/11523=69...(21) H SER 106 - QG2 VAL 63 poor 20 100 30 66 4.8-7.0 3441/11521=20...(11) H GLU 128 - QD1 LEU 49 far 2 46 5 - 5.3-8.8 HD22 ASN 116 - QG2 VAL 63 far 0 93 0 - 5.6-7.9 H GLN 104 - QD1 LEU 49 far 0 57 0 - 8.6-11.9 HD22 ASN 116 - QD1 LEU 49 far 0 50 0 - 9.0-14.0 H THR 115 - QG2 VAL 63 far 0 100 0 - 9.0-12.2 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 69 + HA THR 65 OK 97 97 100 100 3.9-5.5 6893/2064=70...(15) H LEU 49 + HA THR 65 OK 89 99 90 100 5.3-7.0 11703/3.2=90, ~10996=41...(18) H TYR 72 - HA THR 65 far 0 95 0 - 8.4-9.9 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 99 3.2-4.5 9155=73, 1437/10991=41...(15) HA LEU 49 + QG2 THR 65 OK 78 78 100 100 2.0-3.4 2.9/11703=56...(19) HA LEU 48 + QG2 THR 65 OK 70 83 85 99 4.1-5.3 3.0/10991=58...(18) HA ALA 52 - QG2 THR 65 far 0 100 0 - 5.5-7.4 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 1 assignment used, quality = 0.00: HG12 ILE 32 - HA TYR 72 far 0 60 0 - 9.5-15.7 Violated in 20 structures by 8.50 A. Peak 11815 from cnoeabs.peaks (0.94, 4.55, 60.48 ppm; 4.85 A): 1 out of 6 assignments used, quality = 1.00: QG2 ILE 37 + HA TYR 72 OK 100 100 100 100 1.9-2.8 1094/10749=84...(26) QD1 LEU 49 - HA TYR 72 far 0 73 0 - 8.3-12.3 QG1 VAL 20 - HA TYR 72 far 0 60 0 - 8.7-25.0 QG2 VAL 126 - HA TYR 72 far 0 65 0 - 8.9-10.9 QG1 VAL 126 - HA TYR 72 far 0 83 0 - 9.1-10.0 QD1 LEU 48 - HA TYR 72 far 0 95 0 - 9.9-11.8 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 2.3-4.3 9538/3.0=99...(16) 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 2 assignments used, quality = 0.99: HA TYR 76 + HB2 CYS 79 OK 99 99 100 100 3.8-4.2 4.7/9706=80...(9) HA2 GLY 75 - HB2 CYS 79 far 10 96 10 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 11818 from cnoeabs.peaks (4.30, 2.61, 27.19 ppm; 6.35 A): 2 out of 4 assignments used, quality = 0.98: HA TYR 76 + HB3 CYS 79 OK 98 98 100 100 2.2-2.7 11817/1.8=81...(9) HA2 GLY 75 + HB3 CYS 79 OK 33 92 100 36 5.8-6.7 11162/7065=27, 10919/10824=11 HA SER 74 - HB3 CYS 79 far 0 96 0 - 8.4-9.2 HA LYS 36 - HB3 CYS 79 far 0 63 0 - 8.9-12.6 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 3.4-4.0 1.8/11913=83, 9915=83...(14) HB2 GLU 128 - HA ALA 88 far 0 73 0 - 6.6-9.2 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 1.9-2.9 1.8/11912=100...(16) HB3 GLU 128 - HA ALA 88 far 10 96 10 - 6.6-9.0 HB3 LEU 96 - HA ALA 88 far 0 76 0 - 9.6-11.5 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 6 assignments used, quality = 1.00: HG12 ILE 129 + QB ALA 92 OK 99 99 100 100 1.9-4.0 2.1/10491=87...(22) QD2 LEU 96 + QB ALA 92 OK 95 99 100 97 3.8-4.7 4164/10491=37...(19) QG1 VAL 93 - QB ALA 92 far 0 99 0 - 5.0-5.1 QD1 LEU 96 - QB ALA 92 far 0 92 0 - 5.4-6.3 QD2 LEU 43 - QB ALA 92 far 0 100 0 - 7.3-8.0 QD2 LEU 103 - QB ALA 92 far 0 90 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 11822 from cnoeabs.peaks (0.87, 0.29, 23.10 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.92: QD2 LEU 70 + QG2 VAL 93 OK 89 89 100 100 3.7-4.9 9485=80, 4.0/11419=59...(24) QD2 LEU 69 + QG2 VAL 93 OK 30 100 30 99 4.5-6.4 3.0/11407=67, 11043=56...(16) QD1 LEU 98 - QG2 VAL 93 far 0 97 0 - 7.3-9.2 QD2 LEU 98 - QG2 VAL 93 far 0 100 0 - 7.4-8.3 QD2 LEU 123 - QG2 VAL 93 far 0 97 0 - 8.1-11.1 QG1 VAL 118 - QG2 VAL 93 far 0 68 0 - 9.1-10.6 Violated in 1 structures by 0.01 A. Peak 11823 from cnoeabs.peaks (0.86, 2.23, 41.04 ppm; 5.32 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 70 + HB3 LEU 96 OK 100 100 100 100 4.0-5.1 11916/1.8=94...(23) QD2 LEU 69 + HB3 LEU 96 OK 23 95 25 99 5.3-7.2 ~11805=51, ~11694=49...(13) QD2 LEU 98 - HB3 LEU 96 far 4 83 5 - 6.0-7.4 QD1 LEU 98 - HB3 LEU 96 far 0 99 0 - 6.8-8.7 QD2 LEU 123 - HB3 LEU 96 far 0 63 0 - 6.9-10.2 QG1 VAL 133 - HB3 LEU 96 far 0 83 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 11824 from cnoeabs.peaks (0.85, 1.38, 41.04 ppm; 4.70 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 70 + HB2 LEU 96 OK 100 100 100 100 3.8-5.3 11083/3.8=65...(24) QD2 LEU 70 + HB3 LEU 100 OK 86 86 100 100 2.1-4.4 11107/3.2=86, 11106=32...(26) QD2 LEU 69 + HB2 LEU 96 OK 31 90 35 97 4.6-7.0 11040/3.2=39, ~11805=38...(13) QD2 LEU 69 - HB3 LEU 100 far 4 73 5 - 5.3-8.8 QD1 LEU 98 - HB3 LEU 100 far 0 82 0 - 5.8-8.8 QD2 LEU 98 - HB2 LEU 96 far 0 76 0 - 6.4-7.6 QD1 LEU 98 - HB2 LEU 96 far 0 98 0 - 6.6-8.8 QD2 LEU 98 - HB3 LEU 100 far 0 59 0 - 7.1-8.7 QG1 VAL 133 - HB2 LEU 96 far 0 89 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 11825 from cnoeabs.peaks (0.84, 1.40, 27.00 ppm; 4.34 A): 2 out of 6 assignments used, quality = 0.98: QD1 LEU 70 + HG LEU 96 OK 87 87 100 100 3.5-4.8 9488=57, 2.1/11105=55...(26) QD2 LEU 70 + HG LEU 96 OK 83 83 100 100 1.9-2.9 2.1/9488=65...(24) QD1 LEU 122 - HG LEU 96 far 9 57 15 - 3.6-6.8 QG2 ILE 129 - HG LEU 96 far 0 92 0 - 5.3-7.2 QD1 LEU 98 - HG LEU 96 far 0 68 0 - 6.1-7.8 QG1 VAL 133 - HG LEU 96 far 0 100 0 - 9.3-12.5 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 2.5-5.4 11488/3.7=51...(36) QD1 ILE 129 + HG LEU 96 OK 73 73 100 100 4.1-5.0 11454/3.0=40...(33) QD1 LEU 42 - HG LEU 96 far 0 89 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 11827 from cnoeabs.peaks (3.20, 1.40, 27.00 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: HB3 CYS 125 + HG LEU 96 OK 100 100 100 100 4.5-5.6 9987/2.1=91, 9989/2.1=82...(26) Violated in 11 structures by 0.19 A. Peak 11828 from cnoeabs.peaks (2.76, 0.79, 26.05 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.46: HB2 CYS 125 + QD2 LEU 122 OK 46 65 70 100 3.5-7.1 ~9498=54, ~9498=54...(18) HB2 CYS 125 - QD1 LEU 53 far 0 56 0 - 5.9-10.1 HB2 ASP 64 - QD1 LEU 53 far 0 86 0 - 7.8-13.0 HB2 CYS 73 - QD2 LEU 122 far 0 92 0 - 8.0-12.4 HB2 ASP 64 - QD2 LEU 122 far 0 96 0 - 8.5-10.7 HB2 ASP 131 - QD1 LEU 53 far 0 89 0 - 9.3-13.6 Violated in 10 structures by 0.61 A. Peak 11829 from cnoeabs.peaks (1.36, 0.95, 21.50 ppm; 4.50 A): 0 out of 6 assignments used, quality = 0.00: QB ALA 110 - QG1 VAL 57 far 0 68 0 - 7.1-12.9 QB ALA 108 - QG1 VAL 57 far 0 63 0 - 8.0-12.7 QB ALA 29 - QG1 VAL 57 far 0 73 0 - 9.5-25.6 HG3 LYS 26 - QG1 VAL 57 far 0 71 0 - 9.5-36.9 QB ALA 28 - QG1 VAL 57 far 0 65 0 - 9.6-26.2 HG2 LYS 24 - QG1 VAL 57 far 0 76 0 - 9.7-37.3 Violated in 20 structures by 4.07 A. Peak 11830 from cnoeabs.peaks (6.81, 2.23, 33.86 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.70: QE TYR 72 + HG2 GLN 68 OK 70 100 70 100 3.5-5.7 9550/3.0=59, 2.2/9481=59...(14) Violated in 17 structures by 0.66 A. Peak 11832 from cnoeabs.peaks (1.65, 4.29, 61.54 ppm; 4.85 A): 3 out of 13 assignments used, quality = 0.81: HD3 LYS 26 + HA THR 25 OK 50 100 50 100 4.3-7.0 2.9/11150=87, 5.7/582=54...(16) HD2 LYS 26 + HA THR 25 OK 40 100 40 99 3.0-7.4 2.9/11150=87, 5.7/582=54...(14) HD3 LYS 24 + HA THR 25 OK 39 100 40 97 3.4-7.5 ~6234=46, 3.5/11128=44...(17) HD2 LYS 24 - HA THR 25 far 5 99 5 - 5.2-8.2 HD3 LYS 19 - HA SER 74 far 5 96 5 - 5.6-34.0 HG3 ARG 23 - HA THR 25 far 3 60 5 - 5.2-8.8 HD2 LYS 31 - HA THR 25 far 0 99 0 - 6.8-18.4 HD2 LYS 19 - HA SER 74 far 0 96 0 - 7.0-33.1 HD3 LYS 31 - HA THR 25 far 0 100 0 - 7.5-18.2 HD2 LYS 86 - HA SER 74 far 0 97 0 - 8.2-11.3 HB2 LEU 69 - HA SER 74 far 0 89 0 - 8.3-11.1 HD3 LYS 86 - HA SER 74 far 0 97 0 - 9.3-11.8 HD2 LYS 36 - HA THR 25 far 0 92 0 - 9.7-20.9 Violated in 11 structures by 0.13 A. Peak 11844 from cnoeabs.peaks (0.87, 3.17, 43.40 ppm; 4.11 A): 2 out of 16 assignments used, quality = 0.43: QG2 VAL 20 + HD3 ARG 23 OK 27 63 100 43 1.9-4.7 398/3.0=8, ~10680=8...(9) QG2 VAL 20 + HD2 ARG 23 OK 21 63 80 42 2.5-5.4 398/3.0=8, ~10680=8...(9) QD1 LEU 22 - HD3 ARG 23 far 6 56 10 - 3.4-9.3 QD2 LEU 22 - HD3 ARG 23 far 3 58 5 - 4.2-9.2 QD1 LEU 22 - HD2 ARG 23 far 3 56 5 - 4.9-9.8 QD2 LEU 22 - HD2 ARG 23 far 0 58 0 - 5.6-9.0 QG2 ILE 32 - HD2 ARG 23 far 0 85 0 - 6.8-20.1 QD2 LEU 70 - HD3 ARG 90 far 0 97 0 - 7.7-10.8 QG2 ILE 32 - HD3 ARG 23 far 0 85 0 - 8.0-19.5 QD2 LEU 70 - HD2 ARG 90 far 0 96 0 - 8.6-11.3 QD2 LEU 98 - HD3 ARG 90 far 0 98 0 - 8.7-11.7 QD1 LEU 98 - HD2 ARG 90 far 0 99 0 - 9.2-14.6 QD1 LEU 98 - HD3 ARG 90 far 0 100 0 - 9.4-13.8 QD2 LEU 98 - HD2 ARG 90 far 0 98 0 - 9.6-12.9 QG2 VAL 20 - HD2 ARG 90 far 0 73 0 - 9.9-34.0 QD2 LEU 69 - HD3 ARG 90 far 0 100 0 - 9.9-14.2 Violated in 4 structures by 0.01 A. Peak 11845 from cnoeabs.peaks (1.17, 2.02, 28.15 ppm; 3.91 A): 3 out of 9 assignments used, quality = 0.99: QG2 VAL 77 + HG2 ARG 90 OK 96 96 100 100 1.8-2.1 9662=87, 2.1/9652=67...(30) QB ALA 41 + HB3 GLU 40 OK 71 79 90 100 3.6-5.4 3.0/6471=54, 10857=50...(21) QB ALA 41 + HB2 GLU 44 OK 38 96 40 100 3.9-5.7 ~1409=50, ~1409=45...(19) QG2 THR 25 - HG2 PRO 58 far 2 47 5 - 4.3-35.6 HG3 LYS 39 - HB3 GLU 40 far 0 70 0 - 5.3-7.3 HB3 LEU 62 - HG2 PRO 58 far 0 36 0 - 5.7-8.6 QG2 THR 25 - HB2 GLU 44 far 0 79 0 - 5.9-27.7 HG3 LYS 39 - HB2 GLU 44 far 0 88 0 - 8.3-10.4 QG2 THR 25 - HB3 GLU 40 far 0 62 0 - 9.9-25.0 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 2.3-4.3 9651/1.8=94, 2.1/9662=93...(28) QG2 VAL 133 - HB3 GLU 40 far 0 75 0 - 6.6-9.2 QG2 VAL 133 - HG2 ARG 90 far 0 98 0 - 7.6-10.5 QG2 VAL 133 - HB2 GLU 44 far 0 92 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 11849 from cnoeabs.peaks (0.76, 2.42, 35.12 ppm; 3.99 A): 3 out of 7 assignments used, quality = 1.00: QG1 VAL 93 + HG3 GLU 97 OK 99 99 100 99 2.0-4.4 9972=62, 11322/9486=43...(19) QD2 LEU 96 + HG3 GLU 97 OK 59 99 60 100 3.0-6.1 3098/7348=47...(27) QD1 LEU 96 + HG3 GLU 97 OK 45 90 50 99 3.4-6.1 2.1/10010=34, ~11461=31...(28) QG1 VAL 63 - HG3 GLU 97 far 0 65 0 - 7.8-11.6 HG12 ILE 129 - HG3 GLU 97 far 0 99 0 - 8.1-10.9 QD1 LEU 103 - HG3 GLU 97 far 0 68 0 - 8.4-11.6 QD2 LEU 103 - HG3 GLU 97 far 0 92 0 - 8.6-11.5 Violated in 1 structures by 0.01 A. Peak 11850 from cnoeabs.peaks (0.74, 2.27, 35.12 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 93 + HG2 GLU 97 OK 95 96 100 100 2.2-4.9 9972/1.8=80...(19) QD2 LEU 96 + HG2 GLU 97 OK 77 97 80 100 3.2-6.1 11809/3.8=56...(31) HG12 ILE 129 - HG2 GLU 97 far 0 96 0 - 7.8-10.7 QD2 LEU 103 - HG2 GLU 97 far 0 100 0 - 8.3-11.6 Violated in 3 structures by 0.01 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 3.7-5.7 2.1/11461=88...(31) QG1 VAL 93 + HB2 GLU 97 OK 96 96 100 100 2.6-5.2 9972/2.9=80...(16) QD2 LEU 103 - HB2 GLU 97 far 0 100 0 - 7.8-11.3 HG12 ILE 129 - HB2 GLU 97 far 0 96 0 - 8.9-11.0 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 = 1.00: QD2 LEU 96 + HA GLU 97 OK 97 97 100 100 4.3-4.7 11809=91, 3098/2.8=72...(33) QG1 VAL 93 + HA GLU 97 OK 90 96 95 99 4.5-5.5 9972/3.8=56...(15) QD2 LEU 103 - HA GLU 97 far 0 100 0 - 5.9-9.2 HG12 ILE 129 - HA GLU 97 far 0 96 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 11853 from cnoeabs.peaks (0.91, 3.96, 63.62 ppm; 4.32 A): 1 out of 15 assignments used, quality = 0.44: QG2 VAL 63 + HB3 SER 107 OK 44 100 70 63 2.6-8.0 11484/4.7=35...(9) QG1 VAL 118 - HB3 SER 107 far 9 95 10 - 4.5-10.0 QG1 VAL 118 - HB3 SER 106 poor 8 40 20 - 4.9-8.1 QG1 VAL 118 - HB2 SER 106 far 7 68 10 - 4.1-7.8 QG2 VAL 63 - HB2 SER 106 far 4 76 5 - 4.9-9.6 QD1 LEU 119 - HB3 SER 107 far 3 60 5 - 5.0-12.4 QG2 VAL 63 - HB3 SER 106 far 2 46 5 - 5.0-8.7 QD1 LEU 62 - HB3 SER 107 far 0 100 0 - 5.3-10.8 QD1 LEU 119 - HB2 SER 106 far 0 39 0 - 5.9-12.0 QG2 VAL 112 - HB3 SER 107 far 0 97 0 - 6.3-11.3 QG2 VAL 112 - HB2 SER 106 far 0 70 0 - 6.6-10.9 QG2 VAL 112 - HB3 SER 106 far 0 41 0 - 6.6-10.3 QD1 LEU 119 - HB3 SER 106 far 0 22 0 - 7.0-10.8 QD1 LEU 62 - HB3 SER 106 far 0 46 0 - 7.8-11.4 QD1 LEU 62 - HB2 SER 106 far 0 76 0 - 8.1-12.1 Violated in 13 structures by 0.80 A. Peak 11854 from cnoeabs.peaks (0.91, 3.98, 63.90 ppm; 4.41 A): 0 out of 12 assignments used, quality = 0.00: QG2 VAL 63 - HB3 SER 107 poor 18 46 70 56 2.6-8.0 11484/4.7=36...(7) QG1 VAL 118 - HB3 SER 106 poor 15 97 30 50 4.9-8.1 11612/10096=15...(8) QG2 VAL 63 - HB3 SER 106 far 10 100 10 - 5.0-8.7 QG1 VAL 118 - HB2 SER 106 far 8 82 10 - 4.1-7.8 QG2 VAL 63 - HB2 SER 106 far 4 87 5 - 4.9-9.6 QG1 VAL 118 - HB3 SER 107 far 4 42 10 - 4.5-10.0 QD1 LEU 62 - HB3 SER 107 far 2 45 5 - 5.3-10.8 QG2 VAL 112 - HB3 SER 107 far 0 39 0 - 6.3-11.3 QG2 VAL 112 - HB2 SER 106 far 0 76 0 - 6.6-10.9 QG2 VAL 112 - HB3 SER 106 far 0 93 0 - 6.6-10.3 QD1 LEU 62 - HB3 SER 106 far 0 100 0 - 7.8-11.4 QD1 LEU 62 - HB2 SER 106 far 0 86 0 - 8.1-12.1 Violated in 4 structures by 0.14 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 H ASN 85 - HD2 ARG 84 far 12 83 15 - 4.0-6.4 H ASN 85 - HD3 ARG 84 far 4 83 5 - 4.2-6.4 HD21 ASN 85 - HD2 ARG 84 far 0 100 0 - 5.6-9.5 HD21 ASN 85 - HD3 ARG 84 far 0 100 0 - 5.7-9.7 QE PHE 87 - HD2 ARG 84 far 0 78 0 - 5.7-10.8 QE PHE 87 - HD3 ARG 84 far 0 78 0 - 6.2-11.6 Violated in 0 structures by 0.00 A. Peak 11862 from cnoeabs.peaks (7.25, 1.64, 26.79 ppm; 5.05 A): 5 out of 9 assignments used, quality = 1.00: HE ARG 84 + HG2 ARG 84 OK 99 99 100 100 2.1-3.8 3.6=100 HE ARG 84 + HG3 ARG 84 OK 99 99 100 100 2.1-4.0 3.6=100 H ASN 85 + HG3 ARG 84 OK 68 73 100 93 2.9-5.4 3.7/7093=38, 3.6/2561=32...(17) H ASN 85 + HG2 ARG 84 OK 68 73 100 92 2.0-5.2 3.7/7093=38, 3.6/2561=32...(16) HD21 ASN 85 + HG3 ARG 84 OK 28 100 35 79 4.8-8.0 9799/3.0=24, ~9807=19...(14) HD21 ASN 85 - HG2 ARG 84 poor 20 100 20 - 4.2-8.6 QE PHE 87 - HG3 ARG 84 far 0 68 0 - 6.2-10.2 QE PHE 87 - HG2 ARG 84 far 0 68 0 - 6.4-9.8 HD21 ASN 85 - HG LEU 43 far 0 86 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 11863 from cnoeabs.peaks (7.25, 1.90, 29.31 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: HE ARG 84 + HB3 ARG 84 OK 99 99 100 100 2.5-4.6 5.1=88, 11859/3.0=62...(18) H ASN 85 + HB3 ARG 84 OK 73 73 100 100 2.7-4.2 4.7=100 HD21 ASN 85 - HB3 ARG 84 poor 20 100 20 - 5.1-7.6 QE PHE 87 - HB3 ARG 84 far 0 68 0 - 6.6-9.6 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 2 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 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 3 assignments used, quality = 0.38: HD21 ASN 85 + HD3 ARG 135 OK 38 87 45 97 1.9-7.0 1.7/9816=60...(7) H ASN 85 - HD3 ARG 135 far 10 100 10 - 5.0-10.1 HE ARG 84 - HD3 ARG 135 far 10 96 10 - 4.1-11.4 Violated in 16 structures by 1.04 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 - 4.4-9.9 HB3 PRO 113 - HG2 PRO 56 far 0 54 0 - 5.0-11.2 HB VAL 132 - HG2 PRO 81 far 0 71 0 - 6.8-11.9 HG2 GLN 61 - HG2 PRO 56 far 0 41 0 - 8.3-11.9 HG2 GLN 61 - HG3 PRO 56 far 0 41 0 - 9.9-13.4 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 16 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 - 4.0-5.4 HB3 LEU 96 - HB3 LYS 95 far 0 62 0 - 4.7-5.6 HG2 GLU 97 - HB2 LYS 95 far 0 62 0 - 5.6-9.2 HG2 GLU 91 - HB2 LYS 95 far 0 40 0 - 5.8-7.9 HG2 GLU 97 - HB3 LYS 95 far 0 68 0 - 5.9-9.3 HB3 GLU 128 - HB2 LYS 95 far 0 36 0 - 6.6-8.8 HG2 GLU 91 - HB3 LYS 95 far 0 44 0 - 7.3-8.7 HB3 GLU 128 - HB3 LYS 95 far 0 40 0 - 7.5-9.4 HB VAL 132 - HB3 LYS 86 far 0 58 0 - 7.8-8.9 HG2 GLU 91 - HB3 LYS 86 far 0 51 0 - 8.8-10.0 HB VAL 132 - HB3 PRO 81 far 0 71 0 - 9.1-13.1 HB2 PRO 81 - HB3 LYS 86 far 0 90 0 - 9.1-10.9 HB3 GLN 127 - HB2 LYS 95 far 0 38 0 - 9.3-11.9 HB3 GLN 127 - HB3 LYS 95 far 0 42 0 - 9.7-12.1 HB3 GLU 102 - HB3 LYS 95 far 0 48 0 - 9.8-13.5 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 2 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 - 9.1-10.9 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 3 assignments used, quality = 0.97: HG2 PRO 81 + HB2 PRO 81 OK 97 97 100 100 2.3-3.0 2.3=100 HB2 GLN 134 - HB2 PRO 81 far 0 96 0 - 8.6-15.4 HG3 ARG 135 - HB2 PRO 81 far 0 73 0 - 8.9-13.0 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 10 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 poor 10 51 20 - 4.7-6.9 HB2 GLU 91 - HB2 LYS 95 far 0 76 0 - 6.5-8.7 HB2 GLU 91 - HB3 LYS 86 far 0 90 0 - 7.9-9.7 HB2 GLU 91 - HB3 LYS 95 far 0 81 0 - 7.9-9.9 HG2 PRO 81 - HB3 LYS 86 far 0 89 0 - 8.1-9.9 HB2 GLN 134 - HB3 PRO 81 far 0 68 0 - 8.4-15.3 HB ILE 129 - HB2 LYS 95 far 0 72 0 - 8.6-9.8 HB ILE 129 - HB3 LYS 95 far 0 78 0 - 9.6-10.9 HG2 ARG 90 - HB2 LYS 95 far 0 40 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 11894 from cnoeabs.peaks (0.83, 1.95, 32.59 ppm; 5.41 A): 5 out of 15 assignments used, quality = 1.00: QG2 ILE 80 + HB3 PRO 81 OK 94 94 100 100 4.2-4.7 11281/1.8=85...(34) QG2 ILE 80 + HB3 LYS 86 OK 81 81 100 100 2.5-4.2 3.1/9721=86, 9821/1.8=75...(42) HG13 ILE 80 + HB3 LYS 86 OK 67 89 75 100 4.4-6.9 2.1/9721=96, ~9822=69...(39) HG13 ILE 80 + HB3 PRO 81 OK 65 100 65 100 5.8-8.1 ~11281=54, ~11248=50...(29) QG1 VAL 133 + HB3 PRO 81 OK 39 97 40 99 4.4-11.4 10574/2.3=91, ~11757=60...(10) QD1 LEU 122 - HB3 LYS 95 far 0 60 0 - 6.8-9.0 QD1 LEU 70 - HB2 LYS 95 far 0 72 0 - 7.2-9.2 QD1 LEU 122 - HB2 LYS 95 far 0 56 0 - 7.3-9.7 QG2 ILE 129 - HB2 LYS 95 far 0 74 0 - 7.3-8.8 QG1 VAL 133 - HB3 LYS 86 far 0 85 0 - 7.5-9.9 QD1 LEU 70 - HB3 LYS 95 far 0 78 0 - 7.9-9.7 QG2 ILE 129 - HB3 LYS 95 far 0 80 0 - 8.3-10.0 QG2 ILE 129 - HB3 LYS 86 far 0 89 0 - 8.8-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 40 0 - 8.9-11.2 QD2 LEU 49 - HB2 LYS 95 far 0 36 0 - 9.2-11.5 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 4.6-5.0 9742/4.1=83, ~11784=68...(30) HG13 ILE 80 + HB2 PRO 81 OK 75 100 75 100 6.0-7.6 ~11248=60, ~11178=59...(29) QG1 VAL 133 + HB2 PRO 81 OK 51 93 55 99 3.9-11.3 10574/2.3=89, ~11757=70...(8) Violated in 0 structures by 0.00 A. Peak 11896 from cnoeabs.peaks (3.84, 2.25, 32.59 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.93: HD2 PRO 81 + HB2 PRO 81 OK 93 93 100 100 3.0-3.9 3.0=100 HA GLU 40 - HB2 PRO 81 far 0 100 0 - 9.6-17.0 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 3.9-4.0 3.0=100 HA LYS 86 + HB3 LYS 86 OK 48 48 100 100 2.9-3.0 3.0=100 HD2 PRO 81 - HB3 LYS 86 far 0 87 0 - 7.1-9.1 HA LYS 86 - HB3 PRO 81 far 0 60 0 - 8.7-10.0 HA LEU 70 - HB2 LYS 95 far 0 50 0 - 9.2-10.6 HA LEU 123 - HB3 LYS 95 far 0 75 0 - 9.4-11.1 HA LEU 123 - HB2 LYS 95 far 0 69 0 - 9.6-11.5 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 3.9-4.0 3.0=100 HA LEU 96 + HB3 LYS 95 OK 75 79 100 95 4.0-4.9 2.9/7317=34, ~7316=24...(28) HA ALA 92 + HB3 LYS 95 OK 73 73 100 100 3.8-4.8 ~9948=67, 2894/4.0=50...(17) HA LEU 96 + HB2 LYS 95 OK 70 74 100 95 4.0-4.8 2.9/7317=34, ~7317=24...(26) HA ALA 92 + HB2 LYS 95 OK 68 68 100 100 2.5-3.6 2.1/9948=80, 2894/4.0=50...(18) HA LYS 95 + HB3 LYS 95 OK 68 68 100 100 2.3-2.7 3.0=100 HA LYS 95 + HB2 LYS 95 OK 62 62 100 100 3.0-3.0 3.0=100 HA LEU 122 - HB3 LYS 95 poor 18 71 25 - 5.1-7.2 HA LEU 122 - HB2 LYS 95 far 0 65 0 - 5.9-7.9 HD3 PRO 81 - HB3 LYS 86 far 0 90 0 - 6.6-9.4 HA ARG 135 - HB3 PRO 81 far 0 87 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 79 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 74 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 11899 from cnoeabs.peaks (4.04, 2.25, 32.59 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: HD3 PRO 81 + HB2 PRO 81 OK 100 100 100 100 3.0-3.9 3.0=100 HA ARG 135 - HB2 PRO 81 far 0 87 0 - 8.6-13.6 HB2 SER 38 - HB2 PRO 81 far 0 81 0 - 9.8-13.3 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 - 9.4-10.3 Violated in 20 structures by 4.33 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 - 6.0-13.2 HA TYR 76 - HB2 PRO 81 far 0 78 0 - 9.7-10.8 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 5 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 5 54 10 - 4.1-5.9 HA CYS 125 - HB3 LYS 95 far 0 58 0 - 4.5-5.8 HA GLN 134 - HB3 PRO 81 far 0 85 0 - 5.8-13.2 HA PRO 81 - HB3 LYS 86 far 0 89 0 - 7.2-9.7 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 3.4-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 11905 from cnoeabs.peaks (7.60, 2.25, 32.59 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 11906 from cnoeabs.peaks (7.56, 1.95, 32.59 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: H GLN 82 + HB3 PRO 81 OK 100 100 100 100 1.9-3.1 4.1=100 H GLN 82 - HB3 LYS 86 far 0 90 0 - 6.1-8.0 H ASP 78 - HB3 LYS 86 far 0 55 0 - 7.4-8.0 H VAL 77 - HB3 LYS 86 far 0 81 0 - 8.2-8.8 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 4 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 - 7.2-9.7 HB2 ARG 135 - HA PRO 81 far 0 63 0 - 8.2-11.5 HB3 ARG 84 - HA PRO 81 far 0 68 0 - 9.2-11.3 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): 3 out of 3 assignments used, quality = 0.97: QG2 ILE 80 + HA PRO 81 OK 96 96 100 100 3.7-4.2 11281/2.3=74...(14) HG13 ILE 80 + HA PRO 81 OK 25 100 25 100 5.8-6.9 3.2/11280=48, ~11281=44...(22) QG1 VAL 133 + HA PRO 81 OK 20 97 25 85 5.1-11.2 10574/3.8=69...(6) Violated in 0 structures by 0.00 A. Peak 11910 from cnoeabs.peaks (2.00, 4.33, 64.74 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: HG2 PRO 81 + HA PRO 81 OK 100 100 100 100 3.9-4.0 3.8=100 Violated in 6 structures by 0.03 A. Peak 11911 from cnoeabs.peaks (2.05, 4.33, 64.74 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.99: HG3 PRO 81 + HA PRO 81 OK 99 99 100 100 3.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 11912 from cnoeabs.peaks (4.05, 4.34, 64.74 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.92: HD3 PRO 81 + HA PRO 81 OK 92 92 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 11913 from cnoeabs.peaks (7.55, 4.34, 64.74 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: H GLN 82 + HA PRO 81 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 11914 from cnoeabs.peaks (7.54, 2.00, 27.30 ppm; 4.38 A): 1 out of 5 assignments used, quality = 0.95: H GLN 82 + HG2 PRO 81 OK 95 97 100 98 1.8-3.7 11886=60, 3.6/11262=46...(10) HE22 GLN 61 - HG2 PRO 56 far 0 60 0 - 8.1-11.9 H THR 54 - HG2 PRO 56 far 0 70 0 - 8.7-9.2 H THR 54 - HG3 PRO 56 far 0 70 0 - 9.2-9.6 HE22 GLN 61 - HG3 PRO 56 far 0 60 0 - 9.8-13.5 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; 4.28 A): 1 out of 4 assignments used, quality = 0.77: HB3 LEU 103 + QG2 VAL 118 OK 77 97 80 100 2.5-5.5 3.2/10265=78...(33) HB3 LEU 122 - QG2 VAL 118 poor 19 96 20 - 4.7-6.6 HB3 LEU 98 - QG2 VAL 118 far 0 100 0 - 5.8-8.2 HG LEU 100 - QG2 VAL 118 far 0 100 0 - 6.0-8.5 Violated in 14 structures by 0.52 A. Peak 11922 from cnoeabs.peaks (3.95, 0.78, 24.12 ppm; 6.80 A): 9 out of 16 assignments used, quality = 1.00: HA LEU 100 + QD1 LEU 103 OK 96 97 100 100 1.9-4.5 3228/3396=81...(22) HB2 SER 106 + QD1 LEU 103 OK 85 90 95 100 4.3-7.8 4.0/11469=74...(20) HB3 SER 107 + QD1 LEU 103 OK 82 97 85 99 2.2-8.2 4.7/11486=84...(17) HD3 PRO 117 + QD1 LEU 103 OK 82 100 85 96 4.7-9.1 11575/10195=69...(10) HA LEU 100 + QD1 LEU 96 OK 62 63 100 99 4.2-5.6 ~3090=35, 4.0/11388=34...(24) HB3 SER 106 + QD1 LEU 103 OK 62 63 100 99 3.7-6.5 4.0/11469=74...(22) HB2 SER 107 + QD1 LEU 103 OK 46 63 75 98 2.3-8.8 4.7/11486=84...(11) HA GLN 127 + QD1 LEU 96 OK 36 52 100 69 7.0-7.7 4.8/11452=58...(4) HA THR 65 + QD1 LEU 96 OK 23 50 70 66 6.8-8.1 4.9/11808=29...(7) HD3 PRO 113 - QD1 LEU 103 far 5 95 5 - 6.4-12.5 HA2 GLY 111 - QD1 LEU 103 lone 5 85 55 10 5.4-10.7 10117/11541=5, 10213/3403=1 HA3 GLY 111 - QD1 LEU 103 lone 2 100 30 6 5.0-10.9 10679/11541=2 HB3 SER 94 - QD1 LEU 96 far 0 47 0 - 7.8-8.5 HA THR 65 - QD1 LEU 103 far 0 83 0 - 8.2-10.6 HB3 SER 107 - QD1 LEU 96 far 0 64 0 - 9.6-14.2 HA GLU 91 - QD1 LEU 96 far 0 33 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 11923 from cnoeabs.peaks (3.95, 0.74, 25.24 ppm; 6.80 A): 6 out of 9 assignments used, quality = 1.00: HA LEU 100 + QD2 LEU 103 OK 92 92 100 100 1.9-4.7 7481/7491=73...(20) HB2 SER 106 + QD2 LEU 103 OK 73 83 90 98 5.0-8.5 ~10096=53, ~11536=46...(15) HB3 SER 107 + QD2 LEU 103 OK 72 93 90 86 2.6-8.2 11853/11822=33...(12) HB2 SER 107 + QD2 LEU 103 OK 38 73 65 79 1.9-9.0 ~10115=23, ~10106=22...(12) HD3 PRO 117 + QD2 LEU 103 OK 35 99 40 87 5.3-8.8 4.8/11831=77...(5) HA THR 65 + QD2 LEU 103 OK 22 73 40 74 6.8-10.5 4.9/11842=70, 4.9/11842=10 HD3 PRO 113 - QD2 LEU 103 far 5 98 5 - 6.8-12.3 HA2 GLY 111 - QD2 LEU 103 lone 2 92 45 6 4.2-11.4 10213/11416=1 HA3 GLY 111 - QD2 LEU 103 lone 1 100 30 4 5.4-10.8 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 13 assignments used, quality = 1.00: HB VAL 118 + QD1 LEU 122 OK 99 99 100 100 3.5-6.4 11594/11092=67...(30) HB2 LEU 62 + QD1 LEU 122 OK 70 99 100 70 3.8-6.5 3.0/10994=18...(12) HB2 GLN 127 - QD1 LEU 122 poor 11 99 35 31 6.9-10.6 4.0/3892=26, 10374/11585=4 HG2 PRO 117 - QD1 LEU 122 far 10 100 10 - 7.3-9.7 HB VAL 63 - QD1 LEU 70 poor 7 33 20 - 7.5-11.4 HG2 ARG 90 - QD1 LEU 70 far 3 35 10 - 7.3-11.4 QE MET 11 - QD1 LEU 70 far 3 58 5 - 6.3-35.6 HB VAL 63 - QD1 LEU 122 lone 1 65 75 3 5.8-8.5 QE MET 11 - QD1 LEU 122 far 0 99 0 - 8.7-36.5 HG3 PRO 117 - QD1 LEU 122 far 0 100 0 - 8.8-11.1 HB2 LEU 62 - QD1 LEU 70 far 0 58 0 - 9.0-12.4 HG2 PRO 58 - QD1 LEU 122 far 0 78 0 - 9.0-11.5 HB3 GLU 55 - QD1 LEU 122 far 0 99 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 11926 from cnoeabs.peaks (0.68, 1.60, 27.00 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 100 + HG LEU 122 OK 100 100 100 100 2.2-5.4 ~9487=52, ~9487=43...(36) QD2 LEU 100 + HG LEU 70 OK 97 97 100 100 5.1-6.4 ~11107=99, ~11115=98...(18) QD2 LEU 62 + HG LEU 119 OK 69 69 100 100 3.7-6.4 ~10992=98, ~10951=69...(23) QD2 LEU 62 + HG LEU 122 OK 68 100 100 68 4.3-7.1 ~11951=23, ~11925=22...(9) QD2 LEU 100 - HG LEU 119 lone 2 69 75 4 5.5-8.7 QD2 LEU 62 - HG LEU 70 far 0 97 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11927 from cnoeabs.peaks (3.46, 1.13, 22.77 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: HA ILE 129 + QG1 VAL 132 OK 100 100 100 100 4.1-4.9 4213/2.1=100...(29) HA VAL 77 + QG1 VAL 132 OK 96 97 100 100 5.3-7.1 9643/11656=93...(10) HA ILE 129 + QG2 VAL 132 OK 53 53 100 100 1.9-3.1 4213/2.1=100...(34) HA VAL 126 + QG2 VAL 132 OK 29 31 100 92 6.4-7.1 10402/10490=57...(8) HA VAL 77 + QG2 VAL 132 OK 26 48 75 72 7.0-7.9 9667/10546=35...(5) HA VAL 126 - QG1 VAL 132 far 0 71 0 - 8.5-9.2 HA LEU 42 - QG2 VAL 132 far 0 42 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 11928 from cnoeabs.peaks (3.45, 1.14, 23.15 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: HA ILE 129 + QG2 VAL 132 OK 97 97 100 100 1.9-3.1 4213/2.1=97...(31) HA VAL 126 + QG2 VAL 132 OK 84 87 100 97 6.4-7.1 10402/10490=78...(8) HA VAL 77 + QG2 VAL 132 OK 53 100 75 71 7.0-7.9 9666/11378=32...(6) HA VAL 77 + QG1 VAL 132 OK 52 53 100 99 5.3-7.1 9643/11738=93...(10) HA ILE 129 + QG1 VAL 132 OK 49 49 100 100 4.1-4.9 4213/2.1=97...(29) HA VAL 126 - QG1 VAL 132 far 0 41 0 - 8.5-9.2 HA LEU 42 - QG2 VAL 132 far 0 73 0 - 9.7-11.0 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 = 0.79: HD22 ASN 85 + HA VAL 133 OK 79 92 100 86 2.7-6.4 9809/10538=49, ~10583=19...(11) H CYS 79 - HA VAL 133 far 0 73 0 - 7.9-9.2 H TYR 76 - HA VAL 133 far 0 73 0 - 8.6-10.9 Violated in 0 structures by 0.00 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 5.5-7.7 2.9/4174=97...(15) H CYS 79 - HB VAL 133 far 10 100 10 - 7.4-10.7 H TYR 76 - HB VAL 133 far 5 100 5 - 7.2-11.5 Violated in 7 structures by 0.19 A. Peak 11931 from cnoeabs.peaks (1.15, 0.27, 13.24 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 80 OK 99 99 100 100 4.4-5.2 2.1/9722=100...(31) QG1 VAL 132 + QD1 ILE 80 OK 90 90 100 100 2.6-4.2 2.1/9722=100, 11738=100...(33) HG2 LYS 39 + QD1 ILE 80 OK 77 96 90 90 6.0-8.0 10850/9746=47...(10) HG3 LYS 39 + QD1 ILE 80 OK 73 97 85 88 5.9-8.2 10567/10588=49...(9) QB ALA 41 - QD1 ILE 80 far 0 73 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 11932 from cnoeabs.peaks (1.15, 0.81, 17.22 ppm; 6.80 A): 6 out of 10 assignments used, quality = 1.00: QG2 VAL 132 + QG2 ILE 80 OK 99 99 100 100 5.6-6.9 ~11738=91, ~11656=91...(31) QG1 VAL 132 + QG2 ILE 80 OK 90 90 100 100 3.4-4.9 11738/3.1=100, ~9722=82...(33) QG2 VAL 132 + QG2 ILE 129 OK 66 66 100 100 3.3-4.1 11737/3.0=98...(31) QG1 VAL 132 + QG2 ILE 129 OK 57 57 100 100 4.4-5.0 ~10490=87, ~11737=87...(29) HG2 LYS 39 + QG2 ILE 80 OK 53 96 75 73 5.6-9.9 10850/9739=44...(7) HG3 LYS 39 + QG2 ILE 129 OK 38 64 80 74 6.4-8.1 10873/10486=67...(3) HG3 LYS 39 - QG2 ILE 80 poor 17 97 30 58 6.6-9.6 9630/9739=20...(6) HG2 LYS 39 - QG2 ILE 129 poor 9 62 35 42 6.7-8.6 10939/10486=28...(4) QB ALA 41 - QG2 ILE 129 far 4 44 10 - 7.3-8.3 QB ALA 41 - QG2 ILE 80 far 0 73 0 - 9.4-11.3 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 4 assignments used, quality = 0.85: QG2 VAL 77 + HB ILE 80 OK 85 85 100 100 2.9-3.7 9818/9729=89...(39) QG2 VAL 132 - HB ILE 80 far 11 73 15 - 7.5-8.2 HG2 LYS 39 - HB ILE 80 far 0 63 0 - 7.9-10.9 HG3 LYS 39 - HB ILE 80 far 0 99 0 - 8.1-11.0 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 67 98 100 68 4.0-5.9 3.9/6030=48, 72=14...(7) HB2 HIS 8 + HA HIS 7 OK 49 49 100 100 4.0-6.2 4.0/6036=99...(8) HB2 HIS 8 - HA HIS 6 poor 18 58 30 - 4.6-9.6 HB2 HIS 4 - HA HIS 6 lone 7 99 70 9 4.9-8.7 1.8/38=7 HB2 HIS 7 - HA HIS 4 far 5 99 5 - 6.5-12.7 HB2 HIS 4 - HA HIS 7 far 5 91 5 - 7.5-12.5 HB2 HIS 8 - HA HIS 4 far 0 60 0 - 8.5-16.2 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 10 assignments used, quality = 1.00: HB3 HIS 4 + HA HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 8 + HA HIS 7 OK 71 72 100 99 4.4-6.4 4.0/6036=99, ~87=22...(10) HB3 HIS 4 - HA HIS 6 lone 11 99 90 12 4.1-8.5 38=8, 1.8/11935=2 HB2 HIS 5 - HA HIS 4 lone 10 100 100 10 4.0-6.1 ~52=4, ~52=4 HB3 HIS 4 - HA HIS 7 far 5 90 5 - 5.9-12.0 HB3 HIS 8 - HA HIS 4 far 4 85 5 - 7.5-16.1 HB2 HIS 5 - HA HIS 6 lone 3 99 100 3 4.4-6.0 HB2 HIS 5 - HA HIS 7 lone 2 90 70 3 5.7-8.5 HB3 HIS 8 - HA HIS 6 lone 2 83 35 5 4.9-9.6 ~87=2 HB3 HIS 10 - HA HIS 7 far 0 56 0 - 8.6-12.8 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 2.0-3.4 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 3 assignments used, quality = 1.00: HA MET 11 + QE MET 11 OK 100 100 100 100 2.8-4.7 5.1=100 HA SER 9 - QE MET 11 lone 1 65 45 3 2.8-9.9 HA ASP 71 - QE MET 11 far 0 100 0 - 7.9-40.6 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 6 assignments used, quality = 0.78: HB3 LYS 19 + QG2 VAL 20 OK 78 78 100 100 3.8-5.8 ~10714=95, 4.6/354=93...(23) HB3 LYS 24 - QG2 VAL 20 poor 18 73 25 - 2.7-10.3 HB3 LYS 31 - QG2 VAL 20 far 12 78 15 - 3.5-16.0 HB3 LYS 26 - QG2 VAL 20 far 6 60 10 - 5.3-13.2 HB2 LYS 36 - QG2 VAL 20 far 3 65 5 - 6.2-21.8 HB ILE 32 - QG2 VAL 20 far 3 63 5 - 3.3-18.5 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 2 assignments used, quality = 0.90: HA VAL 20 + HB3 ARG 23 OK 90 100 90 100 3.6-8.9 11783/6204=96...(16) HA GLN 68 - HB3 ARG 23 far 0 100 0 - 8.9-31.9 Violated in 3 structures by 0.19 A. Peak 11944 from cnoeabs.peaks (0.86, 1.67, 28.90 ppm; 6.80 A): 8 out of 18 assignments used, quality = 1.00: QG2 ILE 32 + HD2 LYS 36 OK 99 99 100 100 1.8-6.7 10810/3.5=97...(12) QG2 ILE 32 + HD3 LYS 36 OK 94 99 95 100 2.9-7.7 10810/3.5=97...(14) QG2 ILE 32 + HD2 LYS 31 OK 73 92 80 99 3.8-8.6 890/10832=28, ~10825=28...(75) QG2 ILE 32 + HD3 LYS 31 OK 71 89 80 99 4.0-8.4 3.2/10763=31, ~10825=28...(76) QD2 LEU 22 + HD2 LYS 24 OK 67 73 95 96 3.0-8.0 ~10703=41, ~10900=37...(13) QD2 LEU 22 + HD3 LYS 24 OK 65 71 95 96 2.8-8.3 ~10703=41, ~10900=37...(13) QG2 ILE 32 + HD2 LYS 26 OK 49 89 55 100 2.3-14.4 2.1/10833=96, ~10767=81...(58) QG2 ILE 32 + HD3 LYS 26 OK 46 84 55 100 2.6-13.3 ~10833=93, 907/10767=83...(59) QD2 LEU 22 - HD2 LYS 31 far 11 73 15 - 4.6-19.8 QD2 LEU 22 - HD3 LYS 31 far 11 71 15 - 4.8-20.0 QD2 LEU 22 - HD2 LYS 26 far 11 71 15 - 5.5-14.8 QG2 ILE 32 - HD3 LYS 24 far 9 89 10 - 5.1-19.7 QG2 ILE 32 - HD2 LYS 24 far 5 92 5 - 6.6-19.7 QD2 LEU 22 - HD3 LYS 26 far 3 66 5 - 4.6-14.4 QD2 LEU 69 - HD3 LYS 36 far 0 99 0 - 8.1-11.9 QD2 LEU 69 - HD2 LYS 36 far 0 99 0 - 9.4-12.6 QD2 LEU 70 - HD3 LYS 24 far 0 91 0 - 9.7-31.0 QD2 LEU 70 - HD2 LYS 24 far 0 93 0 - 9.9-31.5 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 4 80 5 - 4.3-11.9 Violated in 0 structures by 0.00 A. Peak 15 from aliabs.peaks (3.16, 4.62, 55.20 ppm; 3.94 A): 2 out of 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 6 58 35 32 4.2-6.2 3.9/57=21, 1.8/72=5...(6) HB2 HIS 8 - HA HIS 6 far 4 75 5 - 4.6-9.6 HB3 HIS 3 - HA HIS 6 far 0 80 0 - 5.5-12.7 HB2 HIS 6 - HA HIS 3 far 0 100 0 - 7.4-12.6 HB2 HIS 8 - HA HIS 3 far 0 97 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 16 from aliabs.peaks (8.51, 4.62, 55.20 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 4 + HA HIS 3 OK 100 100 100 100 2.1-3.6 3.6=100 H HIS 4 - HA HIS 6 poor 16 80 20 - 6.2-9.2 Violated in 0 structures by 0.00 A. Peak 18 from aliabs.peaks (4.62, 3.03, 28.79 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 3 + HB2 HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 4 - HB2 HIS 3 far 5 100 5 - 4.2-5.8 HA HIS 6 - HB2 HIS 3 far 5 93 5 - 4.3-11.9 HA HIS 7 - HB2 HIS 3 far 0 68 0 - 8.3-15.0 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 - 6.0-13.2 HB3 HIS 7 - HB2 HIS 3 far 0 81 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 21 from aliabs.peaks (8.51, 3.03, 28.79 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 4 + HB2 HIS 3 OK 100 100 100 100 2.1-4.5 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 9 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 6 37 15 - 4.2-6.0 HA HIS 4 - HB3 HIS 3 lone 1 100 40 2 4.0-6.0 HA HIS 4 - HB2 HIS 6 far 0 64 0 - 5.5-9.6 HA HIS 6 - HB3 HIS 3 far 0 93 0 - 5.5-12.7 HA HIS 3 - HB2 HIS 6 far 0 65 0 - 7.4-12.6 HA HIS 7 - HB2 HIS 10 far 0 55 0 - 7.5-11.5 HA HIS 7 - HB3 HIS 3 far 0 68 0 - 9.5-15.9 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 - 6.0-13.2 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 3 assignments used, quality = 1.00: * H HIS 4 + HB3 HIS 3 OK 100 100 100 100 2.1-4.6 4.7=100 H HIS 4 - HB2 HIS 6 far 3 65 5 - 5.8-10.1 H LEU 100 - HB2 HIS 6 far 0 39 0 - 9.3-65.5 Violated in 0 structures by 0.00 A. Peak 28 from aliabs.peaks (4.62, 4.62, 57.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 4 + HA HIS 4 OK 100 100 - 100 Peak 33 from aliabs.peaks (4.62, 3.11, 28.89 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * HA HIS 4 + HB2 HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 76 76 100 100 2.4-3.0 3.0=100 HA HIS 7 - HB3 HIS 6 poor 17 58 30 - 3.9-6.4 HA HIS 3 - HB2 HIS 4 lone 1 100 45 1 4.1-6.2 HA HIS 6 - HB2 HIS 4 far 0 98 0 - 4.9-8.7 HA HIS 4 - HB3 HIS 6 far 0 80 0 - 6.1-9.2 HA HIS 7 - HB2 HIS 4 far 0 81 0 - 7.5-12.5 HA HIS 3 - HB3 HIS 6 far 0 79 0 - 8.3-12.2 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 7 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 - 3.8-7.1 HB3 HIS 8 - HB3 HIS 6 far 0 59 0 - 4.1-10.0 HB3 HIS 4 - HB3 HIS 6 far 0 80 0 - 4.6-9.7 HB2 HIS 5 - HB3 HIS 6 far 0 80 0 - 4.9-7.4 HB3 HIS 8 - HB2 HIS 4 far 0 83 0 - 7.6-17.0 HB3 HIS 10 - HB3 HIS 6 far 0 71 0 - 8.7-15.4 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 6 - HB3 HIS 4 lone 9 98 90 10 4.1-8.5 11936=5, 11935/1.8=2 HA ASN 13 - HB3 HIS 10 far 5 35 15 - 6.4-11.0 HA HIS 7 - HB3 HIS 4 far 4 81 5 - 5.9-12.0 HA HIS 3 - HB3 HIS 4 lone 4 100 100 4 4.3-6.6 HA HIS 7 - HB3 HIS 10 far 0 52 0 - 8.6-12.8 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 - 4.4-13.9 HB3 HIS 6 - HB3 HIS 4 far 0 99 0 - 4.6-9.7 HB2 HIS 7 - HB3 HIS 10 far 0 73 0 - 8.6-13.0 HB3 HIS 6 - HB3 HIS 10 far 0 72 0 - 8.7-15.4 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 3 assignments used, quality = 1.00: * HB2 HIS 5 + HB3 HIS 5 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 8 - HB3 HIS 5 poor 17 83 20 - 3.5-12.6 HB3 HIS 4 - HB3 HIS 5 lone 6 100 100 6 5.0-7.6 ~11936=3 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 12 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 poor 12 83 30 50 4.0-6.2 4.0/6036=37, 1.8/11936=8...(6) HB3 HIS 7 - HA HIS 6 far 9 89 10 - 4.2-6.2 HB2 HIS 6 - HA HIS 7 far 4 85 5 - 4.2-6.0 HB2 HIS 8 - HA HIS 6 far 0 99 0 - 4.6-9.6 HB3 HIS 3 - HA HIS 6 far 0 100 0 - 5.5-12.7 HB2 HIS 6 - HA HIS 3 far 0 80 0 - 7.4-12.6 HB2 HIS 10 - HA HIS 7 far 0 75 0 - 7.5-11.5 HB3 HIS 3 - HA HIS 7 far 0 84 0 - 9.5-15.9 HB2 HIS 8 - HA HIS 3 far 0 78 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 56 from aliabs.peaks (3.11, 4.63, 55.16 ppm; 3.53 A): 3 out of 10 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 HB3 HIS 6 - HA HIS 7 poor 11 85 35 38 3.9-6.4 116/2.9=10, ~6030=10...(9) HB2 HIS 7 - HA HIS 6 poor 11 98 35 33 4.0-5.9 3.9/57=21, 72=8...(6) HB3 HIS 7 - HA HIS 6 far 10 68 15 - 4.2-6.2 HB2 HIS 4 - HA HIS 3 lone 1 78 45 2 4.1-6.2 HB2 HIS 4 - HA HIS 6 far 0 99 0 - 4.9-8.7 HB2 HIS 4 - HA HIS 7 far 0 83 0 - 7.5-12.5 HB3 HIS 6 - HA HIS 3 far 0 80 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 58 from aliabs.peaks (4.63, 3.16, 29.14 ppm; 2.70 A): 3 out of 15 assignments used, quality = 0.93: * HA HIS 6 + HB2 HIS 6 OK 79 100 100 79 2.5-3.0 3.0=71, 69/1.8=18...(4) HA HIS 7 + HB3 HIS 7 OK 43 55 100 78 2.4-3.0 3.0=73, 6036/4.6=17, ~69=3 HA HIS 3 + HB3 HIS 3 OK 40 56 100 71 2.4-3.0 3.0=71 HA HIS 4 - HB3 HIS 3 far 0 61 0 - 4.0-6.0 HA HIS 7 - HB2 HIS 8 far 0 88 0 - 4.0-6.2 HA HIS 7 - HB2 HIS 6 far 0 96 0 - 4.2-6.0 HA HIS 6 - HB3 HIS 7 far 0 61 0 - 4.2-6.2 HA HIS 6 - HB2 HIS 8 far 0 95 0 - 4.6-9.6 HA HIS 4 - HB2 HIS 6 far 0 98 0 - 5.5-9.6 HA HIS 6 - HB3 HIS 3 far 0 65 0 - 5.5-12.7 HA HIS 3 - HB2 HIS 6 far 0 93 0 - 7.4-12.6 HA HIS 4 - HB3 HIS 7 far 0 58 0 - 7.7-12.4 HA HIS 4 - HB2 HIS 8 far 0 91 0 - 8.5-16.2 HA HIS 7 - HB3 HIS 3 far 0 58 0 - 9.5-15.9 HA HIS 3 - HB2 HIS 8 far 0 85 0 - 9.5-20.0 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 13 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 6 - HB2 HIS 8 far 5 95 5 - 3.1-10.1 HB2 HIS 4 - HB2 HIS 6 far 0 99 0 - 3.6-9.8 HB2 HIS 7 - HB2 HIS 6 far 0 98 0 - 3.7-7.4 HB3 HIS 7 - HB2 HIS 8 far 0 60 0 - 4.1-7.3 HB2 HIS 7 - HB2 HIS 8 far 0 91 0 - 4.4-7.5 HB3 HIS 6 - HB3 HIS 7 far 0 61 0 - 4.6-7.0 HB2 HIS 4 - HB3 HIS 3 far 0 63 0 - 4.7-7.7 HB3 HIS 7 - HB2 HIS 6 far 0 68 0 - 4.8-7.7 HB2 HIS 4 - HB3 HIS 7 far 0 60 0 - 7.2-14.4 HB3 HIS 6 - HB3 HIS 3 far 0 65 0 - 8.4-13.6 HB2 HIS 4 - HB2 HIS 8 far 0 93 0 - 9.0-16.7 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 11 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 7 - HB3 HIS 6 far 5 96 5 - 3.9-6.4 HA HIS 6 - HB2 HIS 7 far 0 86 0 - 4.0-5.9 HA HIS 3 - HB2 HIS 4 far 0 70 0 - 4.1-6.2 HA HIS 6 - HB2 HIS 4 far 0 80 0 - 4.9-8.7 HA HIS 4 - HB3 HIS 6 far 0 98 0 - 6.1-9.2 HA HIS 4 - HB2 HIS 7 far 0 81 0 - 6.5-12.7 HA HIS 7 - HB2 HIS 4 far 0 72 0 - 7.5-12.5 HA HIS 3 - HB3 HIS 6 far 0 93 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 63 from aliabs.peaks (3.16, 3.11, 29.14 ppm; 2.50 A): 2 out of 13 assignments used, quality = 1.00: * HB2 HIS 6 + HB3 HIS 6 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 7 + HB2 HIS 7 OK 70 70 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB3 HIS 6 far 5 99 5 - 3.1-10.1 HB2 HIS 6 - HB2 HIS 4 far 0 80 0 - 3.6-9.8 HB2 HIS 6 - HB2 HIS 7 far 0 86 0 - 3.7-7.4 HB2 HIS 8 - HB2 HIS 7 far 0 84 0 - 4.4-7.5 HB3 HIS 7 - HB3 HIS 6 far 0 89 0 - 4.6-7.0 HB3 HIS 3 - HB2 HIS 4 far 0 79 0 - 4.7-7.7 HB3 HIS 7 - HB2 HIS 4 far 0 65 0 - 7.2-14.4 HB2 HIS 10 - HB2 HIS 7 far 0 75 0 - 7.8-11.9 HB3 HIS 3 - HB3 HIS 6 far 0 100 0 - 8.4-13.6 HB2 HIS 10 - HB3 HIS 6 far 0 93 0 - 8.5-16.1 HB2 HIS 8 - HB2 HIS 4 far 0 78 0 - 9.0-16.7 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 HB3 HIS 6 - HA HIS 7 poor 11 98 30 36 3.9-6.4 ~6030=10, ~57=9...(9) HB2 HIS 7 - HA HIS 6 poor 8 85 30 32 4.0-5.9 3.9/6030=20, 72=8...(6) HB2 HIS 4 - HA HIS 6 far 0 85 0 - 4.9-8.7 HB2 HIS 4 - HA HIS 7 far 0 100 0 - 7.5-12.5 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 10 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 14 97 15 - 4.0-6.2 HB3 HIS 6 - HA HIS 7 poor 14 68 20 - 3.9-6.4 HB2 HIS 6 - HA HIS 7 far 4 89 5 - 4.2-6.0 HB3 HIS 7 - HA HIS 6 far 0 85 0 - 4.2-6.2 HB2 HIS 8 - HA HIS 6 far 0 79 0 - 4.6-9.6 HB3 HIS 3 - HA HIS 6 far 0 62 0 - 5.5-12.7 HB3 HIS 3 - HA HIS 7 far 0 81 0 - 9.5-15.9 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 7 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 43 86 90 56 3.9-6.4 ~6030=23, ~57=22, ~116=8...(9) HA HIS 6 + HB2 HIS 7 OK 37 96 85 46 4.0-5.9 6030/3.9=37, 11935=8...(5) HA HIS 4 - HB3 HIS 6 far 0 63 0 - 6.1-9.2 HA HIS 4 - HB2 HIS 7 far 0 81 0 - 6.5-12.7 HA HIS 3 - HB3 HIS 6 far 0 52 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 73 from aliabs.peaks (3.10, 3.10, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 7 + HB2 HIS 7 OK 100 100 - 100 HB3 HIS 6 + HB3 HIS 6 OK 81 81 - 100 Peak 74 from aliabs.peaks (3.14, 3.10, 29.32 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * HB3 HIS 7 + HB2 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 6 + HB3 HIS 6 OK 70 70 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB3 HIS 6 far 4 79 5 - 3.1-10.1 HB3 HIS 6 - HB2 HIS 7 far 0 68 0 - 3.6-7.1 HB2 HIS 6 - HB2 HIS 7 far 0 89 0 - 3.7-7.4 HB2 HIS 8 - HB2 HIS 7 far 0 97 0 - 4.4-7.5 HB3 HIS 7 - HB3 HIS 6 far 0 86 0 - 4.6-7.0 HB3 HIS 3 - HB3 HIS 6 far 0 63 0 - 8.4-13.6 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 61 4.0-6.2 6036/4.0=53, 11936/1.8=8...(6) HA HIS 7 - HB2 HIS 6 poor 12 61 20 - 4.2-6.0 HA HIS 6 - HB3 HIS 7 poor 11 96 35 32 4.2-6.2 6030/3.9=25, 11935/1.8=5...(5) HA HIS 6 - HB2 HIS 8 far 4 81 5 - 4.6-9.6 HA HIS 4 - HB2 HIS 6 far 0 43 0 - 5.5-9.6 HA HIS 3 - HB2 HIS 6 far 0 35 0 - 7.4-12.6 HA HIS 4 - HB3 HIS 7 far 0 81 0 - 7.7-12.4 HA HIS 4 - HB2 HIS 8 far 0 66 0 - 8.5-16.2 HA HIS 3 - HB2 HIS 8 far 0 55 0 - 9.5-20.0 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 HB3 HIS 6 - HB2 HIS 8 far 4 85 5 - 3.1-10.1 HB2 HIS 4 - HB2 HIS 6 far 0 61 0 - 3.6-9.8 HB2 HIS 7 - HB2 HIS 6 far 0 61 0 - 3.7-7.4 HB2 HIS 7 - HB2 HIS 8 far 0 89 0 - 4.4-7.5 HB3 HIS 6 - HB3 HIS 7 far 0 98 0 - 4.6-7.0 HB2 HIS 4 - HB3 HIS 7 far 0 100 0 - 7.2-14.4 HB2 HIS 4 - HB2 HIS 8 far 0 88 0 - 9.0-16.7 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 9 assignments used, quality = 1.00: * HB2 HIS 8 + HA HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 HIS 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 - 4.1-5.9 HB2 HIS 8 - HA HIS 10 far 0 88 0 - 5.4-8.7 HB2 HIS 6 - HA HIS 8 far 0 99 0 - 5.8-8.6 HB2 HIS 10 - HA HIS 8 far 0 83 0 - 6.2-8.8 HB3 HIS 7 - HA HIS 10 far 0 82 0 - 7.3-12.1 HB3 HIS 3 - HA HIS 8 far 0 97 0 - 9.7-19.8 HB2 HIS 6 - HA HIS 10 far 0 86 0 - 10.0-15.2 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 4 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 - 5.5-8.6 HB2 HIS 5 - HA HIS 8 far 0 83 0 - 6.7-12.4 HB3 HIS 4 - HA HIS 8 far 0 83 0 - 8.9-15.0 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 80 89 100 90 4.1-5.9 ~6036=84, ~11936=19...(5) HA HIS 8 - HB2 HIS 6 lone 9 95 65 14 5.8-8.6 ~80=6, ~6038=3, 2.9/80=3 HA HIS 10 - HB2 HIS 8 lone 5 100 80 6 5.4-8.7 3.0/76=3 HA HIS 10 - HB3 HIS 7 far 4 89 5 - 7.3-12.1 HA HIS 10 - HB2 HIS 6 far 0 95 0 - 10.0-15.2 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 9 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 - HB2 HIS 6 far 0 74 0 - 4.4-8.5 HB2 HIS 5 - HB2 HIS 6 far 0 74 0 - 4.8-7.5 HB3 HIS 8 - HB3 HIS 7 far 0 89 0 - 5.2-7.1 HB3 HIS 8 - HB2 HIS 6 far 0 95 0 - 5.4-10.6 HB3 HIS 4 - HB3 HIS 7 far 0 68 0 - 5.8-13.3 HB2 HIS 5 - HB3 HIS 7 far 0 68 0 - 6.1-10.3 HB2 HIS 5 - HB2 HIS 8 far 0 83 0 - 6.3-13.2 HB3 HIS 4 - HB2 HIS 8 far 0 83 0 - 8.5-16.0 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 - 5.5-8.6 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 HB2 HIS 10 - HB3 HIS 8 far 0 83 0 - 4.1-8.9 HB3 HIS 7 - HB3 HIS 8 far 0 97 0 - 5.2-7.1 HB2 HIS 6 - HB3 HIS 8 far 0 99 0 - 5.4-10.6 Violated in 0 structures by 0.00 A. Peak 94 from aliabs.peaks (3.21, 3.21, 29.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 8 + HB3 HIS 8 OK 100 100 - 100 Peak 97 from aliabs.peaks (4.38, 4.38, 58.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 86 86 - 100 HA SER 33 + HA SER 33 OK 60 60 - 100 Peak 98 from aliabs.peaks (3.81, 4.38, 58.30 ppm; 3.91 A): 3 out of 5 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 9 + HA SER 9 OK 95 95 100 100 2.3-3.0 3.0=100 HB3 SER 33 + HA SER 33 OK 42 42 100 100 2.6-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 88 0 - 8.5-13.0 HA LEU 62 - HA SER 107 far 0 63 0 - 9.0-13.0 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 3 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 95 95 100 100 2.3-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 89 0 - 8.5-13.0 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 2 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB3 SER 9 OK 84 84 100 100 2.3-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB2 SER 9 OK 84 84 100 100 2.3-3.0 3.0=100 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 7 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 HIS 8 + HA HIS 8 OK 67 67 100 100 2.4-3.0 2.9=100 HB2 HIS 8 - HA HIS 10 far 0 83 0 - 5.4-8.7 HB2 HIS 6 - HA HIS 8 far 0 78 0 - 5.8-8.6 HB2 HIS 10 - HA HIS 8 far 0 88 0 - 6.2-8.8 HB3 HIS 3 - HA HIS 8 far 0 83 0 - 9.7-19.8 HB2 HIS 6 - HA HIS 10 far 0 93 0 - 10.0-15.2 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 4 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 10 - HA HIS 8 far 0 88 0 - 6.7-9.2 HB2 HIS 5 - HA HIS 8 far 0 79 0 - 6.7-12.4 HB3 HIS 4 - HA HIS 8 far 0 79 0 - 8.9-15.0 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 3 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 - 6.2-8.8 HA HIS 8 - HB3 HIS 3 far 0 90 0 - 9.7-19.8 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 3 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 - 4.7-9.6 HB3 HIS 4 - HB3 HIS 3 far 0 81 0 - 5.1-7.6 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 - 6.7-9.2 HA HIS 8 - HB3 HIS 4 far 0 74 0 - 8.9-15.0 Violated in 0 structures by 0.00 A. Peak 123 from aliabs.peaks (3.17, 3.25, 28.70 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 6 - HB3 HIS 4 far 0 64 0 - 4.4-8.5 HB3 HIS 3 - HB3 HIS 4 far 0 69 0 - 5.1-7.6 HB2 HIS 8 - HB3 HIS 10 far 0 83 0 - 5.5-8.3 HB2 HIS 8 - HB3 HIS 4 far 0 54 0 - 8.5-16.0 HB2 HIS 6 - HB3 HIS 10 far 0 93 0 - 9.1-15.9 Violated in 0 structures by 0.00 A. Peak 124 from aliabs.peaks (3.25, 3.25, 28.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 HB3 HIS 4 + HB3 HIS 4 OK 65 65 - 100 Peak 126 from aliabs.peaks (8.41, 4.41, 54.98 ppm; 6.31 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 127 from aliabs.peaks (4.41, 4.41, 54.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 HA HIS 5 + HA HIS 5 OK 97 97 - 100 Peak 128 from aliabs.peaks (1.92, 4.41, 54.98 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 95 - HA HIS 5 far 0 74 0 - 7.6-70.7 HB2 LYS 95 - HA HIS 5 far 0 80 0 - 9.2-70.9 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 5 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.3-2.8 3.0=100 QE MET 11 - HA MET 11 far 14 92 15 - 2.8-4.7 HB VAL 20 - HA MET 11 far 0 96 0 - 7.3-22.5 HB3 PRO 117 - HA HIS 5 far 0 96 0 - 7.9-72.8 HB VAL 63 - HA MET 11 far 0 98 0 - 9.8-47.8 Violated in 0 structures by 0.00 A. Peak 130 from aliabs.peaks (2.44, 4.41, 54.98 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.99: * HG2 MET 11 + HA MET 11 OK 99 100 100 99 2.4-3.8 148=81, 6069/2.9=54...(10) HG3 GLN 104 - HA MET 11 far 0 60 0 - 5.8-48.6 HG2 GLN 101 - HA HIS 5 far 0 82 0 - 7.3-63.0 HG2 GLN 101 - HA MET 11 far 0 87 0 - 8.0-51.2 Violated in 3 structures by 0.01 A. Peak 131 from aliabs.peaks (2.51, 4.41, 54.98 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.1-4.0 4.0=100 HG3 GLU 102 - HA HIS 5 far 0 98 0 - 7.3-64.8 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 1 assignment used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.2-2.6 3.6=100 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 2.4-3.0 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): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 11 + HB2 MET 11 OK 36 92 55 71 2.3-4.2 11791/2.9=28...(7) HB VAL 20 - HB2 MET 11 far 0 96 0 - 7.9-23.0 HB VAL 63 - HB2 MET 11 far 0 98 0 - 8.9-47.3 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 2.2-2.7 2.9=100 HG3 GLN 104 - HB2 MET 11 far 3 60 5 - 4.0-50.6 HG2 GLN 101 - HB2 MET 11 far 0 87 0 - 7.0-53.3 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 2.9-3.0 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 2.3-2.8 3.0=100 HA MET 11 - HB VAL 20 far 0 46 0 - 7.3-22.5 HA SER 33 - HB VAL 20 far 0 29 0 - 8.7-24.8 Violated in 0 structures by 0.00 A. Peak 142 from aliabs.peaks (1.92, 2.01, 32.92 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 30 - HB VAL 20 far 0 31 0 - 6.3-20.1 HB2 MET 11 - HB VAL 20 far 0 46 0 - 7.9-23.0 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 4 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 GLN 104 - HB3 MET 11 far 3 60 5 - 4.4-50.1 HG2 MET 11 - HB VAL 20 far 2 46 5 - 5.6-22.8 HG2 GLN 101 - HB3 MET 11 far 0 87 0 - 8.5-53.0 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 2.2-2.7 2.9=100 HG3 MET 11 - HB VAL 20 far 0 46 0 - 5.2-21.8 HB2 ASP 78 - HB VAL 20 far 0 38 0 - 7.6-37.2 Violated in 0 structures by 0.00 A. Peak 148 from aliabs.peaks (4.41, 2.44, 31.62 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.4-3.8 130=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 1 assignment used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 150 from aliabs.peaks (2.01, 2.44, 31.62 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 QE MET 11 + HG2 MET 11 OK 92 92 100 100 2.0-3.2 3.3=100 HB VAL 20 - HG2 MET 11 far 0 96 0 - 5.6-22.8 HB VAL 63 - HG2 MET 11 far 0 98 0 - 7.4-47.3 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 2 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.1-4.0 4.0=100 HA ASP 71 - HG3 MET 11 far 0 100 0 - 9.7-47.0 Violated in 0 structures by 0.00 A. Peak 156 from aliabs.peaks (1.92, 2.51, 31.62 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.9-3.0 2.9=100 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 4 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-2.7 2.9=100 QE MET 11 + HG3 MET 11 OK 92 92 100 100 2.0-3.4 3.3=100 HB VAL 20 - HG3 MET 11 far 0 96 0 - 5.2-21.8 HB VAL 63 - HG3 MET 11 far 0 98 0 - 7.5-46.4 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 3 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 104 - HG3 MET 11 far 0 60 0 - 5.6-51.9 HG2 GLN 101 - HG3 MET 11 far 0 87 0 - 9.7-54.8 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 19 - HA ALA 16 far 9 88 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 66 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 60 0 - 3.7-5.0 QB ALA 15 - HA ALA 16 far 0 68 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 55 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 56 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 74 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 45 0 - 4.1-5.0 QB ALA 21 - HA ALA 16 far 0 85 0 - 4.7-8.5 QB ALA 12 - HA ALA 15 far 0 94 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 78 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 81 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 72 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 88 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 68 0 - 6.7-18.6 HG2 LYS 19 - HA ALA 12 far 0 97 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 59 0 - 6.9-24.0 QB ALA 21 - HA ALA 15 far 0 86 0 - 7.0-11.8 QB ALA 12 - HA ALA 16 far 0 94 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 62 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 56 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 75 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 59 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 53 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 62 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 61 0 - 8.6-21.3 QB ALA 21 - HA ALA 12 far 0 95 0 - 8.8-17.6 QB ALA 12 - HA ALA 21 far 0 87 0 - 10.0-18.9 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 25 81 85 36 1.8-5.6 10686=12, 3.0/10670=9...(5) HA THR 25 - QB ALA 29 far 3 57 5 - 3.0-10.9 HA LEU 22 - QB ALA 21 far 0 61 0 - 4.3-4.4 HA LYS 19 - QB ALA 21 far 0 71 0 - 4.5-6.0 HA ALA 16 - QB ALA 21 far 0 77 0 - 4.7-8.5 HA ALA 15 - QB ALA 12 far 0 99 0 - 4.9-9.6 HA LYS 36 - QB ALA 29 far 0 58 0 - 4.9-11.6 HA LYS 26 - QB ALA 29 far 0 46 0 - 5.2-10.0 HA LYS 31 - QB ALA 29 far 0 49 0 - 5.8-7.6 HA ARG 23 - QB ALA 21 far 0 79 0 - 6.2-7.0 HA THR 18 - QB ALA 12 far 0 100 0 - 6.4-15.6 HA ARG 23 - QB ALA 29 far 0 56 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 54 0 - 6.7-18.6 HA LYS 19 - QB ALA 12 far 0 93 0 - 6.7-17.3 HA ALA 15 - QB ALA 21 far 0 80 0 - 7.0-11.8 HA GLN 61 - QB ALA 29 far 0 57 0 - 7.0-26.2 HA ALA 16 - QB ALA 12 far 0 98 0 - 7.0-12.2 HA LYS 31 - QB ALA 21 far 0 70 0 - 7.3-20.0 HA LYS 19 - QB ALA 29 far 0 50 0 - 7.3-18.3 HA ALA 16 - QB ALA 29 far 0 55 0 - 7.7-23.1 HA LEU 22 - QB ALA 29 far 0 42 0 - 8.0-17.1 HA ALA 12 - QB ALA 21 far 0 82 0 - 8.8-17.6 HA THR 18 - QB ALA 29 far 0 58 0 - 8.8-20.4 HA THR 25 - QB ALA 21 far 0 80 0 - 8.9-11.5 HA LYS 26 - QB ALA 21 far 0 66 0 - 9.0-12.4 HA LYS 31 - QB ALA 12 far 0 92 0 - 9.8-28.1 HA ALA 21 - QB ALA 12 far 0 97 0 - 10.0-18.9 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 1 assignment used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.6 3.0=100 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 2.3-3.0 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 1 assignment used, quality = 1.00: * HA ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.3-2.6 3.0=100 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 1 assignment used, quality = 1.00: * HA ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.3-3.0 3.0=100 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 1 assignment used, quality = 1.00: * HB2 ASN 13 + HB3 ASN 13 OK 100 100 100 100 1.8-1.8 1.8=100 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 QB ALA 108 - HA ALA 109 poor 20 100 20 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 10 100 10 - 3.7-5.0 HG2 LYS 19 - HA ALA 16 far 9 88 10 - 2.8-8.6 QB ALA 16 - HA ALA 15 far 0 97 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 94 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 72 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 68 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 74 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 66 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 78 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 94 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 67 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 72 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 97 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 73 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 68 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 89 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 88 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 93 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 69 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 73 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 73 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 94 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 100 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 73 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 73 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 94 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 50 0 - 10.0-18.9 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 62 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 THR 25 - QB ALA 29 far 5 95 5 - 3.0-10.9 HA ARG 23 - QB ALA 28 far 0 100 0 - 3.6-12.8 HA ALA 109 - QB ALA 108 far 0 97 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 98 0 - 3.7-5.0 HA ALA 15 - QB ALA 16 far 0 90 0 - 3.7-4.3 HA ALA 16 - QB ALA 15 far 0 100 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 96 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 98 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 100 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 96 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 95 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 97 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 98 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 96 0 - 4.5-7.6 HA THR 18 - QB ALA 16 far 0 90 0 - 4.6-7.3 HA THR 25 - QB ALA 28 far 0 96 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 99 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 99 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 99 0 - 5.1-10.2 HA ARG 23 - QB ALA 16 far 0 90 0 - 5.2-13.6 HA LYS 26 - QB ALA 29 far 0 95 0 - 5.2-10.0 HA LYS 19 - QB ALA 16 far 0 87 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 86 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 97 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 92 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 97 0 - 5.8-7.6 HA SER 74 - QB ALA 16 far 0 86 0 - 5.9-32.2 HB THR 115 - QB ALA 108 far 0 95 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 100 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 89 0 - 6.7-18.6 HA ALA 21 - QB ALA 16 far 0 77 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 88 0 - 6.7-12.6 HA GLN 61 - QB ALA 110 far 0 98 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 100 0 - 7.0-26.2 HA LEU 22 - QB ALA 16 far 0 80 0 - 7.1-12.8 HA ALA 21 - QB ALA 15 far 0 90 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 98 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 89 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 99 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 96 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 100 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 98 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 92 0 - 8.0-17.1 HA LYS 26 - QB ALA 16 far 0 84 0 - 8.1-18.7 HA GLN 61 - QB ALA 28 far 0 100 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 100 0 - 8.1-17.7 HA TYR 76 - QB ALA 16 far 0 51 0 - 8.2-32.1 HA LYS 26 - QB ALA 15 far 0 97 0 - 8.2-21.5 HA LYS 36 - QB ALA 16 far 0 89 0 - 8.3-29.6 HA GLN 61 - QB ALA 15 far 0 100 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 97 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 100 0 - 8.6-21.3 HA THR 18 - QB ALA 29 far 0 99 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 98 0 - 9.0-35.4 HA GLN 61 - QB ALA 109 far 0 97 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 99 0 - 9.6-14.8 HA THR 25 - QB ALA 16 far 0 84 0 - 9.9-18.5 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 33 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 19 - HA ALA 16 far 8 81 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 83 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 86 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 94 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 97 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 90 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 90 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 83 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 93 0 - 4.1-5.0 QB ALA 15 - HA ALA 12 far 0 89 0 - 5.1-10.2 QB ALA 34 - HA ALA 16 far 0 76 0 - 5.1-27.1 QB ALA 34 - HA ALA 15 far 0 67 0 - 5.6-27.3 HG2 LYS 19 - HA ALA 21 far 0 38 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 45 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 71 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 47 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 55 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 94 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 71 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 99 0 - 6.9-24.0 QB ALA 15 - HA ALA 21 far 0 50 0 - 7.2-12.2 QB ALA 34 - HA ALA 21 far 0 35 0 - 7.6-26.0 QB ALA 28 - HA ALA 21 far 0 52 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 95 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 92 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 53 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 50 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 99 0 - 8.6-21.3 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 65 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 5 96 5 - 3.6-12.8 HA ALA 109 - QB ALA 108 far 4 86 5 - 3.6-4.4 HA THR 25 - QB ALA 29 far 3 69 5 - 3.0-10.9 HA ALA 109 - QB ALA 110 far 0 93 0 - 3.7-5.0 HA ALA 15 - QB ALA 16 far 0 100 0 - 3.7-4.3 HA ALA 16 - QB ALA 15 far 0 90 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 97 0 - 3.8-4.9 HA GLN 27 - QB ALA 28 far 0 53 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 93 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 89 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 83 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 99 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 99 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 95 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 93 0 - 4.5-7.6 HA THR 18 - QB ALA 16 far 0 100 0 - 4.6-7.3 HA THR 25 - QB ALA 28 far 0 86 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 89 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 76 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 86 0 - 5.1-10.2 HA ARG 23 - QB ALA 16 far 0 100 0 - 5.2-13.6 HA LYS 26 - QB ALA 29 far 0 76 0 - 5.2-10.0 HA GLN 27 - QB ALA 29 far 0 41 0 - 5.3-8.0 HA LYS 19 - QB ALA 16 far 0 100 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 99 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 94 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 90 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 78 0 - 5.8-7.6 HA SER 74 - QB ALA 16 far 0 96 0 - 5.9-32.2 HB THR 115 - QB ALA 108 far 0 85 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 80 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 61 0 - 6.7-18.6 HA ALA 21 - QB ALA 16 far 0 85 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 98 0 - 6.7-12.6 HA GLN 61 - QB ALA 110 far 0 93 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 79 0 - 7.0-26.2 HA LEU 22 - QB ALA 16 far 0 97 0 - 7.1-12.8 HA ALA 21 - QB ALA 15 far 0 71 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 78 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 77 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 80 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 93 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 90 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 88 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 73 0 - 8.0-17.1 HA LYS 26 - QB ALA 16 far 0 99 0 - 8.1-18.7 HA GLN 61 - QB ALA 28 far 0 95 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 95 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 87 0 - 8.2-21.5 HA LYS 36 - QB ALA 16 far 0 99 0 - 8.3-29.6 HA GLN 61 - QB ALA 15 far 0 90 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 86 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 96 0 - 8.6-21.3 HA GLN 27 - QB ALA 15 far 0 49 0 - 8.8-20.5 HA THR 18 - QB ALA 29 far 0 78 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 83 0 - 9.0-35.4 HA GLN 27 - QB ALA 16 far 0 60 0 - 9.1-20.0 HA GLN 61 - QB ALA 109 far 0 99 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 93 0 - 9.6-14.8 HA THR 25 - QB ALA 16 far 0 93 0 - 9.9-18.5 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 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 25 OK 74 74 100 100 2.3-2.7 3.0=100 HA HIS 67 - HA SER 74 far 0 39 0 - 9.6-11.2 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 11 assignments used, quality = 1.00: * QG2 THR 18 + HA THR 18 OK 100 100 100 100 2.1-3.1 3.2=100 QG2 THR 25 + HA THR 25 OK 70 70 100 100 2.2-3.2 3.2=100 QG2 VAL 77 + HA SER 74 OK 47 48 100 98 4.2-6.3 2.1/11188=91, ~11187=33...(12) HG12 ILE 32 - HA THR 25 poor 14 71 20 - 3.0-14.7 QB ALA 41 - HA THR 25 far 0 71 0 - 8.2-22.4 QG2 THR 25 - HA SER 74 far 0 61 0 - 8.5-26.3 QG2 THR 18 - HA THR 25 far 0 77 0 - 8.8-15.4 QG2 THR 18 - HA SER 74 far 0 68 0 - 9.4-30.3 QG2 VAL 132 - HA SER 74 far 0 41 0 - 9.7-11.6 QG2 THR 25 - HA THR 18 far 0 96 0 - 9.7-14.6 HG12 ILE 32 - HA THR 18 far 0 97 0 - 9.8-22.5 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 17 assignments used, quality = 0.99: * HA THR 18 + HB THR 18 OK 95 100 100 95 2.7-3.0 3.0=71, 6139/6140=38...(12) HA THR 25 + HB THR 25 OK 84 86 100 97 2.3-2.7 3.0=71, 581/2.1=53...(12) HA ALA 15 - HB THR 18 far 5 100 5 - 3.5-11.7 HA LYS 19 - HB THR 18 far 0 97 0 - 3.7-5.4 HA ARG 23 - HB THR 25 far 0 90 0 - 4.2-7.7 HA LYS 26 - HB THR 25 far 0 81 0 - 4.3-5.9 HA ALA 16 - HB THR 18 far 0 100 0 - 4.6-8.2 HA GLN 61 - HB THR 25 far 0 90 0 - 5.0-37.6 HA ALA 21 - HB THR 18 far 0 93 0 - 5.0-9.0 HA LEU 22 - HB THR 25 far 0 77 0 - 6.2-10.5 HA LEU 22 - HB THR 18 far 0 90 0 - 7.1-11.3 HA LYS 31 - HB THR 18 far 0 97 0 - 7.5-24.9 HA ALA 12 - HB THR 18 far 0 100 0 - 7.6-19.0 HA LYS 19 - HB THR 25 far 0 85 0 - 8.1-17.5 HA LYS 36 - HB THR 25 far 0 90 0 - 8.5-20.2 HA ARG 23 - HB THR 18 far 0 100 0 - 8.5-13.4 HA ALA 21 - HB THR 25 far 0 80 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 229 from aliabs.peaks (4.18, 4.18, 69.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 18 + HB THR 18 OK 100 100 - 100 HB THR 25 + HB THR 25 OK 87 87 - 100 Peak 230 from aliabs.peaks (1.17, 4.18, 69.56 ppm; 2.51 A): 2 out of 6 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 - 5.1-13.6 QG2 THR 18 - HB THR 25 far 0 90 0 - 8.0-16.0 QB ALA 41 - HB THR 25 far 0 84 0 - 9.4-22.5 QG2 THR 25 - HB THR 18 far 0 96 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 233 from aliabs.peaks (4.28, 1.17, 21.31 ppm; 2.81 A): 3 out of 24 assignments used, quality = 1.00: * HA THR 18 + QG2 THR 18 OK 94 100 100 94 2.1-3.1 3.2=67, 6139/6141=40...(10) HA THR 25 + QG2 THR 25 OK 81 82 100 99 2.2-3.2 581=90, 3.0/6242=40...(11) HA LYS 19 + QG2 THR 18 OK 64 97 85 78 2.8-5.2 3.0/6147=24, 11763=17...(14) HA LYS 26 - QG2 THR 25 far 12 78 15 - 3.0-5.6 HA ALA 15 - QG2 THR 18 far 5 100 5 - 3.2-10.4 HA GLN 61 - QG2 THR 25 far 4 86 5 - 2.6-32.1 HA ALA 21 - QG2 THR 18 far 0 93 0 - 3.7-7.8 HA ARG 23 - QG2 THR 25 far 0 86 0 - 4.0-6.9 HA LYS 31 - QG2 THR 18 far 0 97 0 - 4.4-19.8 HA LEU 22 - QG2 THR 25 far 0 73 0 - 4.8-9.6 HA ALA 16 - QG2 THR 18 far 0 100 0 - 4.8-7.8 HA LEU 22 - QG2 THR 18 far 0 90 0 - 5.4-9.2 HA ARG 23 - QG2 THR 18 far 0 100 0 - 5.5-10.5 HA ALA 12 - QG2 THR 18 far 0 100 0 - 6.2-17.2 HA LYS 19 - QG2 THR 25 far 0 81 0 - 6.2-14.4 HA LYS 36 - QG2 THR 25 far 0 86 0 - 7.2-17.8 HA LYS 26 - QG2 THR 18 far 0 95 0 - 7.4-15.1 HA LYS 31 - QG2 THR 25 far 0 80 0 - 7.5-15.1 HA SER 74 - QG2 THR 25 far 0 84 0 - 8.5-26.3 HA ALA 21 - QG2 THR 25 far 0 76 0 - 8.6-11.8 HA THR 25 - QG2 THR 18 far 0 98 0 - 8.8-15.4 HA SER 74 - QG2 THR 18 far 0 99 0 - 9.4-30.3 HA ALA 12 - QG2 THR 25 far 0 86 0 - 9.5-27.5 HA THR 18 - QG2 THR 25 far 0 87 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 234 from aliabs.peaks (4.18, 1.17, 21.31 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HB THR 18 + QG2 THR 18 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 25 + QG2 THR 25 OK 83 83 100 100 2.1-2.1 2.1=100 HB THR 25 - QG2 THR 18 far 0 99 0 - 8.0-16.0 HA LEU 53 - QG2 THR 25 far 0 86 0 - 9.5-39.0 HA HIS 67 - QG2 THR 25 far 0 53 0 - 9.7-28.3 HB THR 18 - QG2 THR 25 far 0 87 0 - 9.8-16.2 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 22 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 2.5-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 23 + HA ARG 23 OK 59 59 100 100 2.3-2.9 3.0=100 HB2 LYS 31 - HA ARG 23 far 6 63 10 - 4.6-15.9 HB2 LYS 31 - HA LYS 26 far 5 100 5 - 4.0-13.4 HB2 LYS 26 - HA ARG 23 far 3 63 5 - 4.7-9.7 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 4.8-11.1 HB2 LYS 24 - HA ARG 23 far 0 63 0 - 4.9-6.1 HB2 LYS 24 - HA LYS 19 far 0 100 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 100 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 97 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 98 0 - 6.8-19.6 HB2 LYS 19 - HA ARG 23 far 0 63 0 - 6.9-11.3 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 100 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 8.4-17.8 HB2 LYS 31 - HA LYS 36 far 0 54 0 - 8.7-13.3 HB2 LYS 39 - HA LYS 36 far 0 40 0 - 8.8-11.5 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 2.3-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 98 98 100 100 2.3-2.6 3.0=100 HB3 ARG 23 + HA ARG 23 OK 58 58 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 50 50 100 100 2.7-3.0 3.0=100 HB3 LYS 31 - HA ARG 23 far 6 62 10 - 3.9-17.1 HB3 ARG 23 - HA LYS 26 far 5 95 5 - 4.3-10.0 HB3 LYS 24 - HA ARG 23 far 3 61 5 - 4.4-6.5 HB3 LYS 26 - HA ARG 23 far 3 60 5 - 4.5-10.3 HB3 LYS 26 - HA LYS 31 far 0 98 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 98 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 100 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 99 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 99 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 100 0 - 5.7-18.7 HB3 LYS 19 - HA ARG 23 far 0 63 0 - 5.8-10.2 HB3 ARG 23 - HA LYS 19 far 0 97 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 100 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 53 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 97 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 100 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 99 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 96 0 - 7.8-20.0 HB ILE 32 - HA ARG 23 far 0 63 0 - 8.0-20.1 HB3 LYS 19 - HA LYS 31 far 0 100 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 99 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 34 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 97 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 99 0 - 9.3-20.9 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 46 assignments used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 99 100 100 99 3.5-3.7 4.2=63, 6151/3.0=39...(39) HG3 LYS 26 + HA LYS 26 OK 95 95 100 99 2.5-3.8 4.0=68, 6253/2.9=54...(31) HG3 LYS 31 + HA LYS 31 OK 90 91 100 99 2.1-3.7 3.8=82, 1.8/822=29...(22) HG2 LYS 36 + HA LYS 36 OK 49 50 100 99 2.9-3.8 4.1=64, 6394/3.0=52...(29) HG2 LYS 24 - HA ARG 23 poor 18 62 30 - 3.7-6.5 HG3 LYS 26 - HA ARG 23 far 6 58 10 - 2.5-9.1 QB ALA 28 - HA ARG 23 far 5 54 10 - 3.6-12.8 HG2 LYS 24 - HA LYS 19 far 5 99 5 - 4.2-13.3 QB ALA 28 - HA LYS 19 far 5 93 5 - 4.2-16.4 HG3 LYS 31 - HA LYS 19 far 5 92 5 - 3.8-19.8 QB ALA 28 - HA LYS 26 far 0 92 0 - 4.5-7.6 QB ALA 21 - HA LYS 19 far 0 73 0 - 4.5-6.0 HG3 LYS 31 - HA LYS 26 far 0 91 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 97 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 51 0 - 4.9-11.6 QB ALA 16 - HA ARG 23 far 0 44 0 - 5.2-13.6 QB ALA 29 - HA LYS 26 far 0 98 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 81 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 80 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 93 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 98 0 - 5.8-7.6 HG3 LYS 31 - HA ARG 23 far 0 53 0 - 6.1-18.5 QB ALA 21 - HA ARG 23 far 0 39 0 - 6.2-7.0 HG3 LYS 26 - HA LYS 31 far 0 96 0 - 6.6-15.0 QB ALA 29 - HA ARG 23 far 0 60 0 - 6.6-14.2 QB ALA 12 - HA LYS 19 far 0 97 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 99 0 - 6.9-20.8 HG2 LYS 19 - HA ARG 23 far 0 63 0 - 7.1-10.0 HG2 LYS 24 - HA LYS 26 far 0 99 0 - 7.2-9.6 QB ALA 21 - HA LYS 31 far 0 73 0 - 7.3-20.0 QB ALA 29 - HA LYS 19 far 0 99 0 - 7.3-18.3 QB ALA 15 - HA ARG 23 far 0 58 0 - 7.8-16.4 QB ALA 15 - HA LYS 31 far 0 96 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 79 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 53 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 95 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 37 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 97 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 97 0 - 8.4-12.7 HG2 LYS 19 - HA LYS 26 far 0 100 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 49 0 - 8.8-20.2 QB ALA 21 - HA LYS 26 far 0 72 0 - 9.0-12.4 HG2 LYS 19 - HA LYS 31 far 0 100 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 46 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 45 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 96 0 - 9.8-28.1 Violated in 0 structures by 0.00 A. Peak 242 from aliabs.peaks (1.44, 4.27, 56.26 ppm; 4.15 A): 5 out of 30 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 99 100 100 99 3.8-4.2 4.2=99 HG2 LYS 26 + HA LYS 26 OK 98 98 100 100 3.4-4.2 4.0=100 HG2 LYS 31 + HA LYS 31 OK 84 84 100 100 2.2-4.2 3.8=100 HG13 ILE 32 + HA LYS 31 OK 43 98 45 98 4.5-6.4 6345/6342=84...(15) HG3 LYS 36 + HA LYS 36 OK 37 37 100 100 3.5-3.8 4.1=100 HG2 LYS 31 - HA LYS 19 far 4 85 5 - 3.6-20.1 QB ALA 34 - HA LYS 19 far 4 76 5 - 3.0-20.7 HG2 LYS 26 - HA ARG 23 far 3 61 5 - 2.4-10.5 HG3 LYS 24 - HA ARG 23 far 3 59 5 - 5.0-7.0 HG2 LYS 31 - HA ARG 23 far 2 47 5 - 4.5-18.5 QB ALA 34 - HA ARG 23 far 2 41 5 - 4.9-22.7 HG2 LYS 31 - HA LYS 26 far 0 83 0 - 5.2-13.1 HG13 ILE 32 - HA LYS 26 far 0 97 0 - 5.4-12.6 HG2 LYS 26 - HA LYS 31 far 0 99 0 - 5.5-15.2 HG3 LYS 24 - HA LYS 19 far 0 97 0 - 5.7-13.9 QB ALA 34 - HA LYS 36 far 0 34 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 74 0 - 6.5-18.5 HG3 LYS 19 - HA ARG 23 far 0 63 0 - 7.0-10.2 HG3 LYS 24 - HA LYS 26 far 0 96 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 98 0 - 7.5-22.0 HG3 LYS 36 - HA LYS 31 far 0 80 0 - 7.6-11.7 HG13 ILE 32 - HA ARG 23 far 0 59 0 - 7.8-17.9 HG3 LYS 24 - HA LYS 31 far 0 97 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 100 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 52 0 - 8.0-20.6 HG2 LYS 31 - HA LYS 36 far 0 40 0 - 8.1-14.6 HG13 ILE 32 - HA LYS 36 far 0 50 0 - 8.4-11.2 QB ALA 34 - HA LYS 31 far 0 75 0 - 8.5-9.9 HG2 LYS 26 - HA LYS 19 far 0 99 0 - 8.6-19.4 HG3 LYS 19 - HA LYS 31 far 0 100 0 - 9.3-20.3 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 48 assignments used, quality = 1.00: HD2 LYS 31 + HA LYS 31 OK 99 99 100 100 2.0-4.9 5.2=66, ~6331=34...(34) HD3 LYS 31 + HA LYS 31 OK 98 98 100 100 2.0-4.8 5.2=66, ~6331=34...(34) HD3 LYS 26 + HA LYS 26 OK 94 94 100 100 2.5-5.2 5.0=75, ~6253=40...(33) * HD2 LYS 19 + HA LYS 19 OK 90 100 90 100 3.6-5.5 5.2=67, 10696/11871=40...(43) HD3 LYS 19 + HA LYS 19 OK 90 100 90 99 3.9-5.5 5.2=67, 3.0/627=30...(41) HD2 LYS 26 + HA LYS 26 OK 82 97 85 100 3.8-5.5 5.0=75, ~6253=40...(32) HD3 LYS 36 + HA LYS 36 OK 49 49 100 100 4.1-5.2 5.3=63, 1042/3.0=39...(30) HD2 LYS 36 + HA LYS 36 OK 48 48 100 100 4.2-5.0 5.3=63, 1031/3.0=38...(30) HD3 LYS 26 - HA LYS 31 far 14 95 15 - 5.0-16.1 HD3 LYS 24 - HA ARG 23 poor 13 63 20 - 3.7-7.9 HD2 LYS 24 - HA ARG 23 far 9 58 15 - 4.8-8.7 HG LEU 22 - HA LYS 19 far 6 60 10 - 4.7-11.0 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-21.0 HD3 LYS 31 - HA LYS 19 far 5 99 5 - 2.1-21.0 HD2 LYS 26 - HA LYS 31 far 5 98 5 - 3.8-16.5 HD2 LYS 26 - HA ARG 23 far 3 59 5 - 2.1-11.5 HD3 LYS 26 - HA ARG 23 far 3 57 5 - 3.6-11.3 HG LEU 22 - HA LYS 31 far 0 60 0 - 5.7-24.5 HG LEU 22 - HA ARG 23 far 0 31 0 - 6.0-7.4 HD2 LYS 24 - HA LYS 19 far 0 97 0 - 6.1-16.0 HD3 LYS 31 - HA ARG 23 far 0 60 0 - 6.1-18.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-15.8 HD2 LYS 31 - HA ARG 23 far 0 62 0 - 6.6-18.6 HD2 LYS 19 - HA LYS 31 far 0 100 0 - 6.6-20.6 HG LEU 22 - HA LYS 26 far 0 59 0 - 6.7-12.9 HD3 LYS 31 - HA LYS 26 far 0 98 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 95 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 99 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 53 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 100 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 48 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 51 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 50 0 - 8.3-21.8 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 8.5-12.2 HD2 LYS 26 - HA LYS 19 far 0 98 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 96 0 - 8.7-21.9 HD2 LYS 19 - HA ARG 23 far 0 63 0 - 8.7-12.4 HD3 LYS 36 - HA LYS 31 far 0 96 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 95 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 96 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 96 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 26 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 97 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 52 0 - 9.8-13.7 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 51 assignments used, quality = 1.00: HD2 LYS 31 + HA LYS 31 OK 99 99 100 100 2.0-4.9 5.2=65, ~6331=34...(34) HD3 LYS 31 + HA LYS 31 OK 97 97 100 100 2.0-4.8 5.2=65, ~6331=34...(34) HD3 LYS 26 + HA LYS 26 OK 92 92 100 100 2.5-5.2 5.0=75, ~6253=39...(33) HD2 LYS 19 + HA LYS 19 OK 90 100 90 100 3.6-5.5 5.2=67, 10696/11871=40...(43) * HD3 LYS 19 + HA LYS 19 OK 90 100 90 99 3.9-5.5 5.2=67, 3.0/627=29...(41) HD2 LYS 26 + HA LYS 26 OK 81 95 85 100 3.8-5.5 5.0=75, ~6253=39...(32) HD3 LYS 36 + HA LYS 36 OK 47 47 100 100 4.1-5.2 5.3=63, ~6394=38...(30) HD2 LYS 36 + HA LYS 36 OK 46 46 100 100 4.2-5.0 5.3=63, ~6394=38...(30) HG3 ARG 23 + HA ARG 23 OK 33 33 100 100 3.1-4.2 3.8=100 HD3 LYS 26 - HA LYS 31 far 14 93 15 - 5.0-16.1 HD3 LYS 24 - HA ARG 23 poor 12 62 20 - 3.7-7.9 HD2 LYS 24 - HA ARG 23 far 8 55 15 - 4.8-8.7 HG LEU 22 - HA LYS 19 far 7 65 10 - 4.7-11.0 HD2 LYS 31 - HA LYS 19 far 5 99 5 - 3.8-21.0 HD3 LYS 31 - HA LYS 19 far 5 97 5 - 2.1-21.0 HD2 LYS 26 - HA LYS 31 far 5 96 5 - 3.8-16.5 HG3 ARG 23 - HA LYS 19 far 3 63 5 - 4.6-13.3 HD2 LYS 26 - HA ARG 23 far 3 58 5 - 2.1-11.5 HD3 LYS 26 - HA ARG 23 far 3 54 5 - 3.6-11.3 HG LEU 22 - HA LYS 31 far 0 65 0 - 5.7-24.5 HG3 ARG 23 - HA LYS 26 far 0 61 0 - 5.9-10.2 HG LEU 22 - HA ARG 23 far 0 34 0 - 6.0-7.4 HD2 LYS 24 - HA LYS 19 far 0 95 0 - 6.1-16.0 HD3 LYS 31 - HA ARG 23 far 0 59 0 - 6.1-18.9 HG3 ARG 23 - HA LYS 31 far 0 62 0 - 6.3-22.1 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-15.8 HD2 LYS 31 - HA ARG 23 far 0 61 0 - 6.6-18.6 HD2 LYS 19 - HA LYS 31 far 0 100 0 - 6.6-20.6 HG LEU 22 - HA LYS 26 far 0 64 0 - 6.7-12.9 HD3 LYS 31 - HA LYS 26 far 0 96 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 93 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 98 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 52 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 100 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 46 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 50 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 49 0 - 8.3-21.8 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 8.5-12.2 HD2 LYS 26 - HA LYS 19 far 0 97 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 94 0 - 8.7-21.9 HD2 LYS 19 - HA ARG 23 far 0 63 0 - 8.7-12.4 HD3 LYS 36 - HA LYS 31 far 0 94 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 93 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 93 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 93 0 - 9.1-19.9 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 99 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 95 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 53 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 249 from aliabs.peaks (4.27, 1.74, 32.58 ppm; 3.35 A): 4 out of 49 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 2.5-3.0 3.0=100 HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HA THR 25 + HB2 LYS 24 OK 28 85 35 96 4.0-5.6 3.0/6232=51, ~6233=30...(17) HA LEU 22 - HB2 LYS 24 poor 20 99 20 - 4.2-8.1 HA GLN 27 - HB2 LYS 26 far 7 73 10 - 3.9-5.9 HA LYS 26 - HB2 LYS 31 far 5 100 5 - 4.0-13.4 HA GLN 27 - HB2 LYS 31 far 4 73 5 - 4.2-11.7 HA THR 25 - HB2 LYS 26 far 0 84 0 - 4.5-6.1 HA ARG 23 - HB2 LYS 31 far 0 99 0 - 4.6-15.9 HA ARG 23 - HB2 LYS 26 far 0 99 0 - 4.7-9.7 HA ARG 23 - HB2 LYS 24 far 0 99 0 - 4.9-6.1 HA ALA 16 - HB2 LYS 19 far 0 100 0 - 5.1-9.5 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 5.2-14.4 HA THR 18 - HB2 LYS 19 far 0 97 0 - 5.3-6.2 HA LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-14.5 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 5.5-17.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.5-8.7 HA ALA 28 - HB2 LYS 24 far 0 65 0 - 5.6-13.0 HA GLN 27 - HB2 LYS 19 far 0 73 0 - 5.7-17.7 HA GLN 61 - HB2 LYS 24 far 0 99 0 - 5.8-38.1 HA ALA 28 - HB2 LYS 19 far 0 65 0 - 5.9-18.5 HA ALA 15 - HB2 LYS 19 far 0 99 0 - 5.9-12.4 HA ALA 28 - HB2 LYS 26 far 0 65 0 - 5.9-8.7 HA ALA 28 - HB2 LYS 31 far 0 65 0 - 6.0-11.1 HA THR 25 - HB2 LYS 31 far 0 84 0 - 6.5-14.5 HA LEU 22 - HB2 LYS 31 far 0 99 0 - 6.5-20.9 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 6.8-16.3 HA ARG 23 - HB2 LYS 19 far 0 99 0 - 6.9-11.3 HA ALA 16 - HB2 LYS 31 far 0 99 0 - 7.1-22.6 HA ALA 21 - HB2 LYS 19 far 0 73 0 - 7.4-8.7 HA ALA 12 - HB2 LYS 19 far 0 93 0 - 7.5-21.5 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 7.7-19.5 HA GLN 27 - HB2 LYS 24 far 0 73 0 - 7.9-11.1 HA LYS 31 - HB2 LYS 19 far 0 100 0 - 8.0-20.2 HA THR 18 - HB2 LYS 31 far 0 97 0 - 8.0-21.4 HA THR 18 - HB2 LYS 24 far 0 97 0 - 8.2-14.2 HA ALA 21 - HB2 LYS 24 far 0 73 0 - 8.2-10.8 HA SER 74 - HB2 LYS 19 far 0 89 0 - 8.2-31.6 HA GLN 61 - HB2 LYS 26 far 0 98 0 - 8.3-37.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 8.4-17.8 HA ALA 15 - HB2 LYS 31 far 0 98 0 - 8.5-24.7 HA LYS 36 - HB2 LYS 31 far 0 94 0 - 8.7-13.3 HA LEU 22 - HB2 LYS 26 far 0 99 0 - 8.7-14.1 HA LYS 36 - HB2 LYS 39 far 0 48 0 - 8.8-11.5 HA ALA 21 - HB2 LYS 31 far 0 73 0 - 9.1-21.0 HA LEU 22 - HB2 LYS 19 far 0 99 0 - 9.3-11.5 HA ALA 21 - HB2 LYS 26 far 0 73 0 - 9.7-15.5 HA THR 25 - HB2 LYS 19 far 0 85 0 - 9.8-17.2 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 99 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 99 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 96 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 96 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 99 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 35 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 96 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 97 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 97 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 97 0 - 9.0-24.5 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 44 assignments used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.4-2.9 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.3-2.9 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 2.4-3.0 3.0=100 QB ALA 28 - HB2 LYS 31 far 9 93 10 - 4.2-8.2 QB ALA 15 - HB2 LYS 19 far 5 97 5 - 3.6-11.3 HG3 LYS 26 - HB2 LYS 24 far 5 96 5 - 3.5-10.3 QB ALA 28 - HB2 LYS 19 far 5 93 5 - 3.2-16.4 QB ALA 28 - HB2 LYS 24 far 5 93 5 - 3.9-12.5 HG3 LYS 31 - HB2 LYS 26 far 5 91 5 - 4.2-14.0 QB ALA 16 - HB2 LYS 19 far 4 81 5 - 4.4-8.5 QB ALA 16 - HB2 LYS 31 far 4 80 5 - 3.9-19.7 HB2 LEU 42 - HB2 LYS 39 far 0 55 0 - 4.9-6.2 QB ALA 12 - HB2 LYS 19 far 0 97 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 96 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 93 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 92 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 96 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 99 0 - 6.0-10.8 QB ALA 21 - HB2 LYS 19 far 0 73 0 - 6.1-6.7 QB ALA 29 - HB2 LYS 26 far 0 98 0 - 6.3-10.0 QB ALA 29 - HB2 LYS 31 far 0 98 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 99 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 99 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 92 0 - 6.9-19.1 QB ALA 21 - HB2 LYS 24 far 0 73 0 - 7.4-9.5 QB ALA 21 - HB2 LYS 31 far 0 73 0 - 7.6-18.2 HG2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.3-18.2 HG2 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 51 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 80 0 - 9.2-17.0 QB ALA 12 - HB2 LYS 31 far 0 96 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 97 0 - 9.4-18.8 QB ALA 21 - HB2 LYS 26 far 0 73 0 - 9.4-14.3 QB ALA 12 - HB2 LYS 26 far 0 96 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 96 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 96 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 80 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 95 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 97 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 253 from aliabs.peaks (1.44, 1.74, 32.58 ppm; 3.50 A): 5 out of 27 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 27 98 35 79 3.8-6.2 6345/809=45...(11) HG2 LYS 31 - HB2 LYS 26 far 8 84 10 - 3.3-13.1 HG2 LYS 26 - HB2 LYS 31 far 5 99 5 - 4.2-12.5 HG13 ILE 32 - HB2 LYS 26 far 5 98 5 - 4.2-12.5 QB ALA 34 - HB2 LYS 19 far 4 76 5 - 2.9-20.2 QB ALA 34 - HB2 LYS 26 far 0 75 0 - 5.0-17.9 HG2 LYS 26 - HB2 LYS 24 far 0 99 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 97 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 85 0 - 5.8-19.4 QB ALA 34 - HB2 LYS 24 far 0 76 0 - 6.3-23.8 HG13 ILE 32 - HB2 LYS 19 far 0 98 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 80 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 85 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 97 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 98 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 97 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 80 0 - 8.4-20.7 QB ALA 34 - HB2 LYS 31 far 0 75 0 - 8.5-10.8 HG3 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.6-17.4 QB ALA 34 - HB2 LYS 39 far 0 35 0 - 8.7-13.1 HG3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 99 0 - 9.3-19.5 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 42 assignments used, quality = 1.00: * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 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 2.0-4.0 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 98 98 100 100 2.0-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 96 96 100 100 3.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 95 95 100 100 1.9-3.7 3.5=100 HG LEU 43 + HB2 LYS 39 OK 50 53 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 24 far 10 98 10 - 3.8-12.9 HG LEU 22 - HB2 LYS 24 far 9 60 15 - 3.9-8.8 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.5-20.9 HD2 LYS 31 - HB2 LYS 26 far 5 99 5 - 5.5-14.9 HD3 LYS 31 - HB2 LYS 19 far 5 99 5 - 4.0-20.8 HD3 LYS 31 - HB2 LYS 26 far 5 98 5 - 5.6-14.8 HD3 LYS 26 - HB2 LYS 24 far 5 95 5 - 3.3-12.3 HD2 LYS 26 - HB2 LYS 31 lone 3 98 30 9 2.4-13.9 6348/809=5, 6336/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 95 25 7 2.6-13.4 6348/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HG LEU 22 - HB2 LYS 19 far 0 60 0 - 7.1-12.7 HG LEU 22 - HB2 LYS 31 far 0 59 0 - 7.1-22.7 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 95 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 96 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 95 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.2-17.0 HG LEU 22 - HB2 LYS 26 far 0 60 0 - 8.3-14.3 HD2 LYS 36 - HB2 LYS 19 far 0 96 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 96 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 96 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 97 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 96 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.1-20.0 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 45 assignments used, quality = 1.00: * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 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 2.0-4.0 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 3.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 93 93 100 100 1.9-3.7 3.5=100 HG LEU 43 + HB2 LYS 39 OK 51 54 95 100 4.0-5.7 ~11901=55...(21) HG LEU 22 - HB2 LYS 24 far 10 65 15 - 3.9-8.8 HD2 LYS 26 - HB2 LYS 24 far 10 96 10 - 3.8-12.9 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.5-20.9 HD2 LYS 31 - HB2 LYS 26 far 5 99 5 - 5.5-14.9 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.0-20.8 HD3 LYS 31 - HB2 LYS 26 far 5 97 5 - 5.6-14.8 HD3 LYS 26 - HB2 LYS 24 far 5 93 5 - 3.3-12.3 HG3 ARG 23 - HB2 LYS 19 far 3 63 5 - 5.3-13.9 HG3 ARG 23 - HB2 LYS 31 far 3 62 5 - 3.9-19.2 HD2 LYS 26 - HB2 LYS 31 lone 3 96 30 9 2.4-13.9 6348/809=5, 6336/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 93 25 7 2.6-13.4 6348/809=4 HG3 ARG 23 - HB2 LYS 24 far 0 63 0 - 5.7-8.3 HG3 ARG 23 - HB2 LYS 26 far 0 62 0 - 5.8-11.9 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.0-11.8 HG LEU 22 - HB2 LYS 19 far 0 65 0 - 7.1-12.7 HG LEU 22 - HB2 LYS 31 far 0 65 0 - 7.1-22.7 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 97 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 93 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 94 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 93 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 94 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 95 0 - 8.2-17.0 HG LEU 22 - HB2 LYS 26 far 0 65 0 - 8.3-14.3 HD2 LYS 36 - HB2 LYS 19 far 0 93 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 94 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 93 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 95 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 94 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.1-20.0 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 39 assignments used, quality = 1.00: HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 * HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.7 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.6-5.3 4.9=100 HE2 LYS 26 - HB2 LYS 24 far 15 100 15 - 3.9-12.6 HE2 LYS 26 - HB2 LYS 31 far 15 100 15 - 4.5-15.1 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE3 LYS 26 - HB2 LYS 31 far 15 99 15 - 3.2-14.2 HE3 LYS 26 - HB2 LYS 24 far 10 99 10 - 3.2-10.9 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-22.2 HE3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-19.9 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-20.1 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 24 - HB2 LYS 19 far 5 100 5 - 5.7-16.4 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.6-19.1 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.6-21.4 HE3 LYS 24 - HB2 LYS 19 far 5 98 5 - 6.2-16.4 HE3 LYS 24 - HB2 LYS 26 far 5 98 5 - 6.0-13.1 HE3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.6-13.8 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.8-11.7 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 39 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.7 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.6-5.3 4.9=100 HE2 LYS 26 - HB2 LYS 24 far 15 100 15 - 3.9-12.6 HE2 LYS 26 - HB2 LYS 31 far 15 100 15 - 4.5-15.1 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE3 LYS 26 - HB2 LYS 31 far 15 99 15 - 3.2-14.2 HE3 LYS 26 - HB2 LYS 24 far 10 99 10 - 3.2-10.9 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-22.2 HE3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-19.9 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-20.1 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 24 - HB2 LYS 19 far 5 100 5 - 5.7-16.4 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.6-19.1 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.6-21.4 HE3 LYS 24 - HB2 LYS 19 far 5 98 5 - 6.2-16.4 HE3 LYS 24 - HB2 LYS 26 far 5 98 5 - 6.0-13.1 HE3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.6-13.8 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 260 from aliabs.peaks (4.27, 1.81, 32.58 ppm; 3.18 A): 5 out of 54 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 2.3-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.3-2.6 3.0=100 HA LYS 36 + HB2 LYS 36 OK 60 60 100 100 2.7-3.0 3.0=100 HA PHE 87 + HB2 LYS 86 OK 27 82 35 94 3.8-5.5 2.9/7156=37, 2724/1.8=32...(17) HA GLN 27 - HB3 LYS 26 far 7 66 10 - 3.9-4.8 HA ARG 23 - HB3 LYS 31 far 5 97 5 - 3.9-17.1 HA LEU 22 - HB3 LYS 24 far 5 95 5 - 3.4-7.5 HA THR 25 - HB3 LYS 24 far 0 79 0 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 0 95 0 - 4.4-6.5 HA ARG 23 - HB3 LYS 26 far 0 93 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 96 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 97 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 100 0 - 4.9-10.4 HA ALA 28 - HB3 LYS 26 far 0 58 0 - 5.2-8.2 HA ARG 84 - HB2 LYS 86 far 0 51 0 - 5.2-6.7 HA ALA 28 - HB3 LYS 19 far 0 65 0 - 5.4-17.2 HA LYS 19 - HB3 LYS 24 far 0 97 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 98 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 97 0 - 5.5-22.2 HA ALA 28 - HB3 LYS 24 far 0 60 0 - 5.6-13.9 HA THR 25 - HB3 LYS 26 far 0 77 0 - 5.6-6.3 HA GLN 27 - HB3 LYS 31 far 0 70 0 - 5.7-10.9 HA LYS 19 - HB3 LYS 31 far 0 98 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 99 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 97 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 100 0 - 5.9-14.9 HA GLN 27 - HB3 LYS 19 far 0 73 0 - 6.0-16.8 HA GLN 61 - HB3 LYS 24 far 0 94 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 6.8-22.8 HA ALA 28 - HB3 LYS 31 far 0 62 0 - 6.8-10.4 HA ALA 21 - HB3 LYS 19 far 0 73 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 94 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 93 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 68 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 68 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 99 0 - 7.5-13.6 HA GLN 27 - HB3 LYS 24 far 0 68 0 - 7.7-11.4 HA ALA 21 - HB3 LYS 31 far 0 70 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 100 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 96 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 81 0 - 8.1-15.3 HA SER 74 - HB2 LYS 86 far 0 66 0 - 8.2-11.8 HA SER 74 - HB3 LYS 19 far 0 89 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 99 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 96 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 93 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 85 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 68 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 97 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 51 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 94 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 66 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 93 0 - 9.9-37.8 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 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 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 HB2 LYS 31 - HB3 LYS 26 far 5 96 5 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 97 0 - 3.4-9.6 HB ILE 80 - HB2 LYS 86 far 0 78 0 - 3.4-5.1 HG3 ARG 90 - HB2 LYS 86 far 0 80 0 - 4.3-7.2 HB2 LYS 26 - HB3 LYS 31 far 0 98 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 95 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 98 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 92 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 96 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 98 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 93 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 97 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 98 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 100 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 68 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 97 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 68 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 68 0 - 9.0-24.5 HB3 LEU 70 - HB3 LYS 24 far 0 55 0 - 9.6-37.2 HG13 ILE 129 - HB2 LYS 86 far 0 82 0 - 9.7-13.6 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 46 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.7-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.7-3.0 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 2.9-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 24 far 9 92 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 19 far 5 93 5 - 2.9-15.3 HG3 LYS 31 - HB3 LYS 26 far 4 84 5 - 3.9-13.1 QB ALA 16 - HB3 LYS 31 far 4 77 5 - 3.9-19.7 QB ALA 28 - HB3 LYS 26 far 0 86 0 - 4.3-7.7 QB ALA 29 - HB2 LYS 36 far 0 65 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 90 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 88 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 81 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 97 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 97 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 97 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 93 0 - 5.5-10.5 QB ALA 21 - HB3 LYS 19 far 0 73 0 - 5.8-6.7 HG3 LYS 26 - HB3 LYS 31 far 0 94 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 99 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 99 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 92 0 - 6.4-17.5 QB ALA 21 - HB3 LYS 31 far 0 70 0 - 6.7-19.0 QB ALA 15 - HB3 LYS 31 far 0 94 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 96 0 - 6.7-8.0 QB ALA 21 - HB3 LYS 24 far 0 68 0 - 7.1-9.7 QB ALA 29 - HB3 LYS 24 far 0 94 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 86 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 94 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 97 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 48 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 57 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 62 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 90 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 94 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 58 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 90 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 73 0 - 9.6-20.2 QB ALA 21 - HB3 LYS 26 far 0 66 0 - 9.6-14.2 HB2 LEU 42 - HB2 LYS 36 far 0 68 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 92 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 94 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 264 from aliabs.peaks (1.44, 1.81, 32.58 ppm; 3.57 A): 6 out of 33 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.2-2.6 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.2-2.8 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 53 53 100 100 2.5-2.9 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 48 48 100 100 2.6-2.8 3.0=100 HG13 ILE 32 - HB3 LYS 26 far 9 92 10 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 8 77 10 - 3.1-12.9 QB ALA 34 - HB3 LYS 19 far 4 76 5 - 2.0-20.6 HG2 LYS 26 - HB3 LYS 24 far 0 95 0 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 95 0 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 31 far 0 97 0 - 5.2-13.4 QB ALA 34 - HB3 LYS 26 far 0 68 0 - 5.4-16.7 HG13 ILE 32 - HB3 LYS 19 far 0 98 0 - 5.4-19.7 QB ALA 34 - HB2 LYS 36 far 0 44 0 - 5.5-6.5 HG2 LYS 31 - HB3 LYS 19 far 0 85 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 64 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 94 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 51 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 91 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 66 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 79 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 97 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 70 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 99 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 98 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 93 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 77 0 - 8.7-13.8 QB ALA 34 - HB3 LYS 31 far 0 72 0 - 8.8-11.6 QB ALA 92 - HB2 LYS 86 far 0 78 0 - 8.9-9.9 HG3 LYS 36 - HB3 LYS 26 far 0 73 0 - 9.1-20.8 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 52 assignments used, quality = 1.00: * HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.2 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.1-3.8 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 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.3-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 89 89 100 100 2.2-4.2 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 81 81 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 80 80 100 100 2.6-3.7 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 62 62 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 61 61 100 100 2.0-3.6 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 9 93 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 9 90 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 99 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 5 95 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 92 5 - 3.8-14.8 HG LEU 22 - HB3 LYS 24 far 3 55 5 - 4.9-8.8 HD3 LYS 31 - HB3 LYS 26 far 0 93 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 95 0 - 5.2-13.2 HG LEU 22 - HB3 LYS 31 far 0 57 0 - 5.6-23.9 HD2 LYS 19 - HB3 LYS 31 far 0 98 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 73 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 98 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 73 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 67 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 94 0 - 6.8-20.9 HG LEU 22 - HB3 LYS 19 far 0 60 0 - 6.9-11.6 HD2 LYS 26 - HB2 LYS 36 far 0 64 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 61 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 65 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 76 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 94 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 96 0 - 7.7-22.1 HG LEU 22 - HB3 LYS 26 far 0 53 0 - 7.8-15.3 HD3 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 97 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 89 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 95 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 96 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 92 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 95 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 90 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 90 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.8-19.8 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 56 assignments used, quality = 1.00: * HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.9-3.9 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.1-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.3-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 89 89 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 86 86 100 100 2.2-4.2 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 80 80 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 78 78 100 100 2.6-3.7 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 60 60 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 58 58 100 100 2.0-3.6 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 9 92 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 9 88 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 5 94 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 4 90 5 - 3.8-14.8 HG3 ARG 23 - HB3 LYS 19 far 3 63 5 - 3.6-12.6 HG LEU 22 - HB3 LYS 24 far 3 60 5 - 4.9-8.8 HG3 ARG 23 - HB3 LYS 24 far 3 57 5 - 4.8-9.0 HD3 LYS 31 - HB3 LYS 26 far 0 91 0 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 0 93 0 - 5.2-13.2 HG3 ARG 23 - HB3 LYS 31 far 0 59 0 - 5.2-19.8 HG3 ARG 23 - HB3 LYS 26 far 0 56 0 - 5.4-12.7 HG LEU 22 - HB3 LYS 31 far 0 62 0 - 5.6-23.9 HD2 LYS 19 - HB3 LYS 31 far 0 98 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 99 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 75 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 98 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 70 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 66 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 91 0 - 6.8-20.9 HG LEU 22 - HB3 LYS 19 far 0 65 0 - 6.9-11.6 HD2 LYS 26 - HB2 LYS 36 far 0 62 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 93 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 58 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 63 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 78 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 93 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 95 0 - 7.7-22.1 HG LEU 22 - HB3 LYS 26 far 0 58 0 - 7.8-15.3 HD3 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 95 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 86 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 95 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 93 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 95 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 90 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 87 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 87 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 95 0 - 9.8-19.8 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 45 assignments used, quality = 1.00: * HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.4 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 94 94 100 100 3.5-5.4 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.6-5.3 5.1=100 HE3 LYS 86 + HB2 LYS 86 OK 82 82 100 100 1.8-4.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 67 67 100 100 3.2-4.6 4.9=100 HE3 LYS 31 - HB3 LYS 19 far 10 100 10 - 4.9-20.5 HE2 LYS 26 - HB3 LYS 24 far 10 97 10 - 2.3-11.2 HE3 LYS 26 - HB3 LYS 24 far 10 95 10 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 6.1-19.6 HE3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.4-20.0 HE2 LYS 26 - HB3 LYS 31 far 5 98 5 - 6.0-15.4 HE3 LYS 24 - HB3 LYS 19 far 5 98 5 - 5.9-15.4 HE3 LYS 26 - HB3 LYS 31 far 5 97 5 - 4.8-15.1 HE2 LYS 31 - HB3 LYS 24 far 5 97 5 - 5.0-21.5 HE3 LYS 31 - HB3 LYS 24 far 5 97 5 - 5.6-21.1 HE2 LYS 31 - HB3 LYS 26 far 5 95 5 - 5.9-13.4 HE2 LYS 26 - HB2 LYS 36 far 3 68 5 - 6.2-21.1 HE3 LYS 26 - HB2 LYS 36 far 3 66 5 - 6.2-21.3 HE2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.3-15.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.7-19.5 HE3 LYS 31 - HB2 LYS 36 far 0 68 0 - 6.7-12.2 HE3 LYS 31 - HB3 LYS 26 far 0 95 0 - 6.8-13.2 HE3 LYS 24 - HB3 LYS 26 far 0 92 0 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 0 68 0 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 0 97 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 95 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 48 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 95 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 68 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 95 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 95 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 45 assignments used, quality = 1.00: HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 * HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.4 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 94 94 100 100 3.5-5.4 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.6-5.3 5.1=100 HE3 LYS 86 + HB2 LYS 86 OK 82 82 100 100 1.8-4.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 67 67 100 100 3.2-4.6 4.9=100 HE3 LYS 31 - HB3 LYS 19 far 10 100 10 - 4.9-20.5 HE2 LYS 26 - HB3 LYS 24 far 10 97 10 - 2.3-11.2 HE3 LYS 26 - HB3 LYS 24 far 10 95 10 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 6.1-19.6 HE3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.4-20.0 HE2 LYS 26 - HB3 LYS 31 far 5 98 5 - 6.0-15.4 HE3 LYS 24 - HB3 LYS 19 far 5 98 5 - 5.9-15.4 HE3 LYS 26 - HB3 LYS 31 far 5 97 5 - 4.8-15.1 HE2 LYS 31 - HB3 LYS 24 far 5 97 5 - 5.0-21.5 HE3 LYS 31 - HB3 LYS 24 far 5 97 5 - 5.6-21.1 HE2 LYS 31 - HB3 LYS 26 far 5 95 5 - 5.9-13.4 HE2 LYS 26 - HB2 LYS 36 far 3 68 5 - 6.2-21.1 HE3 LYS 26 - HB2 LYS 36 far 3 66 5 - 6.2-21.3 HE2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.3-15.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.7-19.5 HE3 LYS 31 - HB2 LYS 36 far 0 68 0 - 6.7-12.2 HE3 LYS 31 - HB3 LYS 26 far 0 95 0 - 6.8-13.2 HE3 LYS 24 - HB3 LYS 26 far 0 92 0 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 0 68 0 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 0 97 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 95 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 48 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 95 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 68 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 95 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 95 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 10.0-19.9 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 51 assignments used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 99 100 100 99 3.5-3.7 4.2=63, 3.0/6151=38...(40) HA LYS 26 + HG3 LYS 26 OK 88 89 100 99 2.5-3.8 4.0=68, 2.9/6253=52...(31) HA LYS 31 + HG3 LYS 31 OK 75 77 100 98 2.1-3.7 3.8=82, 822/1.8=29...(22) HA LYS 36 + HG2 LYS 36 OK 43 44 100 99 2.9-3.8 4.1=64, 3.0/6394=51...(29) HA THR 25 + HG3 LYS 26 OK 40 70 60 95 3.5-5.3 11150=68, 3.6/6253=44...(14) HA LEU 22 + HG2 LYS 24 OK 35 95 65 57 2.6-6.1 409/10703=20...(12) HA ALA 16 - HG2 LYS 19 poor 20 100 20 - 2.8-8.6 HA ARG 23 - HG2 LYS 24 poor 19 95 20 - 3.7-6.5 HA ARG 23 - HG3 LYS 26 far 9 87 10 - 2.5-9.1 HA THR 18 - HG2 LYS 19 far 5 97 5 - 3.3-5.3 HA LYS 19 - HG2 LYS 24 far 5 97 5 - 4.2-13.3 HA LYS 19 - HG3 LYS 31 far 4 77 5 - 3.8-19.8 HA ALA 28 - HG3 LYS 26 far 3 53 5 - 4.2-8.9 HA GLN 27 - HG3 LYS 26 far 0 60 0 - 4.5-6.6 HA THR 25 - HG2 LYS 24 far 0 79 0 - 4.6-6.6 HA LYS 26 - HG3 LYS 31 far 0 76 0 - 4.7-12.7 HA THR 25 - HG3 LYS 31 far 0 58 0 - 5.5-16.5 HA THR 18 - HG3 LYS 31 far 0 71 0 - 5.6-23.8 HA ALA 21 - HG2 LYS 19 far 0 73 0 - 6.0-8.5 HA THR 18 - HG2 LYS 24 far 0 92 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 67 0 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 0 74 0 - 6.1-18.5 HA ALA 15 - HG2 LYS 19 far 0 99 0 - 6.3-11.0 HA LYS 31 - HG3 LYS 26 far 0 89 0 - 6.6-15.0 HA LEU 22 - HG3 LYS 31 far 0 75 0 - 6.6-23.6 HA ALA 12 - HG2 LYS 19 far 0 93 0 - 6.7-20.0 HA GLN 27 - HG3 LYS 31 far 0 49 0 - 6.9-12.2 HA LYS 31 - HG2 LYS 24 far 0 97 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 75 0 - 6.9-24.0 HA ALA 28 - HG2 LYS 24 far 0 60 0 - 7.0-14.6 HA ARG 23 - HG2 LYS 19 far 0 99 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 96 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 88 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 89 0 - 7.6-32.7 HA ALA 15 - HG3 LYS 31 far 0 73 0 - 7.7-25.1 HA ALA 28 - HG2 LYS 19 far 0 65 0 - 7.7-18.4 HA ALA 28 - HG3 LYS 31 far 0 43 0 - 8.0-12.0 HA GLN 61 - HG2 LYS 24 far 0 94 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 49 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 90 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 99 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 50 0 - 8.4-12.7 HA GLN 27 - HG2 LYS 19 far 0 73 0 - 8.4-18.4 HA ALA 21 - HG3 LYS 26 far 0 60 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 100 0 - 8.6-16.3 HA GLN 27 - HG2 LYS 24 far 0 67 0 - 8.6-13.1 HA LYS 36 - HG3 LYS 26 far 0 81 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 86 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 100 0 - 9.1-20.6 HA LYS 36 - HG3 LYS 31 far 0 68 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 37 0 - 9.9-21.7 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 23 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 97 97 100 100 2.3-2.9 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 2.4-3.0 3.0=100 HB2 ARG 23 - HG3 LYS 26 far 9 85 10 - 4.1-11.6 HB2 LYS 26 - HG3 LYS 31 far 8 76 10 - 4.2-14.0 HB2 LYS 24 - HG3 LYS 26 far 4 89 5 - 3.5-10.3 HB2 ARG 23 - HG2 LYS 24 far 0 93 0 - 4.5-7.5 HB2 LYS 31 - HG3 LYS 26 far 0 90 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 98 0 - 5.5-9.9 HB2 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.0-18.8 HB2 LYS 26 - HG2 LYS 24 far 0 97 0 - 6.0-10.8 HB2 ARG 23 - HG3 LYS 31 far 0 72 0 - 6.0-20.0 HB2 LYS 31 - HG2 LYS 24 far 0 97 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 97 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 77 0 - 6.9-19.1 HB2 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 50 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 100 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 37 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.4-18.8 HB2 LYS 26 - HG2 LYS 36 far 0 50 0 - 9.9-20.9 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 2.7-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.7-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 86 86 100 100 2.7-3.0 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 2.9-3.0 3.0=100 HB3 LYS 24 - HG3 LYS 26 far 9 87 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 8 83 10 - 2.4-11.0 HB3 LYS 26 - HG3 LYS 31 far 4 73 5 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 0 76 0 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 0 70 0 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 89 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 96 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 91 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 88 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 97 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 97 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 50 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 100 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 74 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 94 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 100 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 90 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 99 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 71 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 84 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 96 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 32 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 49 0 - 9.9-14.8 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 31 assignments used, quality = 1.00: * HG3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 87 87 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 58 58 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 34 34 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 9 85 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 4 72 5 - 3.1-8.2 QB ALA 34 - HG3 LYS 26 far 0 62 0 - 4.1-17.6 QB ALA 34 - HG2 LYS 19 far 0 76 0 - 4.4-22.3 HG2 LYS 26 - HG3 LYS 31 far 0 74 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 70 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 84 0 - 5.2-11.1 QB ALA 34 - HG2 LYS 36 far 0 32 0 - 5.8-7.4 HG2 LYS 31 - HG2 LYS 24 far 0 79 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 85 0 - 6.4-19.9 QB ALA 34 - HG2 LYS 24 far 0 70 0 - 6.7-25.2 HG13 ILE 32 - HG2 LYS 19 far 0 98 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 95 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 47 0 - 7.4-11.7 QB ALA 34 - HG3 LYS 31 far 0 51 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 66 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 37 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 77 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 71 0 - 8.1-21.8 HG3 LYS 36 - HG3 LYS 31 far 0 55 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 93 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 90 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 48 0 - 9.0-22.2 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 47 assignments used, quality = 1.00: * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 85 85 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 82 82 100 100 2.3-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 44 44 100 100 2.4-3.0 3.0=100 HG LEU 22 - HG2 LYS 24 poor 11 55 20 - 2.5-8.2 HD3 LYS 26 - HG3 LYS 31 far 3 69 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 72 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 90 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 99 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 94 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 89 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.2-21.7 HG LEU 22 - HG3 LYS 26 far 0 48 0 - 6.4-15.0 HD2 LYS 26 - HG2 LYS 19 far 0 98 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 96 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 6.7-11.9 HG LEU 22 - HG3 LYS 31 far 0 39 0 - 6.8-25.3 HD2 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 86 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 47 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.3-20.7 HG LEU 22 - HG2 LYS 19 far 0 60 0 - 7.4-12.2 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 88 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 82 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 76 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 49 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 69 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 48 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 70 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 83 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 97 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 48 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 89 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 24 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 100 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 70 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 277 from aliabs.peaks (1.65, 1.37, 24.54 ppm; 3.33 A): 10 out of 50 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 2.4-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 79 79 100 100 2.3-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 43 43 100 100 2.4-3.0 3.0=100 HG LEU 22 - HG2 LYS 24 poor 12 60 20 - 2.5-8.2 HD3 LYS 26 - HG3 LYS 31 far 3 66 5 - 4.1-16.0 HG3 ARG 23 - HG2 LYS 24 far 3 57 5 - 3.2-7.8 HG3 ARG 23 - HG3 LYS 26 far 3 50 5 - 3.5-12.6 HG3 ARG 23 - HG3 LYS 31 far 2 41 5 - 3.9-19.7 HD2 LYS 26 - HG3 LYS 31 far 0 70 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 91 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 88 0 - 5.1-12.5 HG3 ARG 23 - HG2 LYS 19 far 0 63 0 - 5.1-11.6 HD3 LYS 31 - HG2 LYS 19 far 0 97 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 92 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 88 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 95 0 - 6.2-21.7 HG LEU 22 - HG3 LYS 26 far 0 53 0 - 6.4-15.0 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 93 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 81 0 - 6.7-11.9 HG LEU 22 - HG3 LYS 31 far 0 43 0 - 6.8-25.3 HD2 LYS 19 - HG3 LYS 31 far 0 76 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 84 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 45 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 99 0 - 7.3-20.7 HG LEU 22 - HG2 LYS 19 far 0 65 0 - 7.4-12.2 HD3 LYS 24 - HG3 LYS 31 far 0 75 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 87 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 43 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 79 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 77 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 48 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 66 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 46 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 68 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 81 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 95 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 49 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.5-20.4 HD3 LYS 24 - HG2 LYS 19 far 0 100 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 68 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 278 from aliabs.peaks (2.95, 1.37, 24.54 ppm; 4.05 A): 10 out of 42 assignments used, quality = 1.00: HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.7-4.1 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.1-4.2 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 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 88 88 100 100 2.0-4.1 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.1-3.9 3.7=100 HE2 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.2-4.0 4.0=100 HE2 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.3-21.5 HE2 LYS 26 - HG2 LYS 24 far 5 96 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 5 95 5 - 4.7-11.5 HE3 LYS 24 - HG3 LYS 26 far 4 85 5 - 4.3-13.1 HE3 LYS 26 - HG3 LYS 31 far 0 75 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 89 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 89 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 89 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 34 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 49 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 72 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 50 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 98 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 50 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 76 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 50 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 76 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 89 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 89 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 26 0 - 9.9-17.4 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 42 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.7-4.1 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.1-4.2 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 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 88 88 100 100 2.0-4.1 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.1-3.9 3.7=100 HE2 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.2-4.0 4.0=100 HE2 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.3-21.5 HE2 LYS 26 - HG2 LYS 24 far 5 96 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 5 95 5 - 4.7-11.5 HE3 LYS 24 - HG3 LYS 26 far 4 85 5 - 4.3-13.1 HE3 LYS 26 - HG3 LYS 31 far 0 75 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 89 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 89 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 89 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 34 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 49 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 72 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 50 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 98 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 50 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 76 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 50 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 76 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 89 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 89 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 26 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 282 from aliabs.peaks (4.27, 1.44, 24.54 ppm; 3.70 A): 3 out of 49 assignments used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 99 100 100 99 3.8-4.2 4.2=71, 3.0/6152=41...(40) HA LYS 26 + HG2 LYS 26 OK 96 97 100 100 3.4-4.2 4.0=77, 2.9/6252=58...(30) HA LYS 31 + HG2 LYS 31 OK 61 61 100 99 2.2-4.2 3.8=92, 793/1.8=25...(22) HA LEU 22 - HG3 LYS 24 poor 18 88 35 57 3.8-7.1 409/10756=15, ~1309=12...(12) HA GLN 27 - HG2 LYS 26 poor 17 68 25 - 3.9-6.9 HA ALA 16 - HG3 LYS 19 far 15 100 15 - 2.8-10.1 HA ALA 28 - HG2 LYS 26 far 9 60 15 - 3.5-9.6 HA THR 18 - HG3 LYS 19 far 5 97 5 - 4.2-6.9 HA ARG 23 - HG2 LYS 26 far 5 95 5 - 2.4-10.5 HA LYS 19 - HG2 LYS 31 far 3 61 5 - 3.6-20.1 HA ARG 23 - HG2 LYS 31 far 3 59 5 - 4.5-18.5 HA LEU 22 - HG2 LYS 31 far 0 59 0 - 5.0-23.5 HA ARG 23 - HG3 LYS 24 far 0 88 0 - 5.0-7.0 HA THR 25 - HG2 LYS 26 far 0 79 0 - 5.1-6.7 HA LYS 26 - HG2 LYS 31 far 0 61 0 - 5.2-13.1 HA ALA 16 - HG2 LYS 31 far 0 60 0 - 5.3-24.4 HA THR 18 - HG2 LYS 31 far 0 56 0 - 5.4-24.2 HA LYS 31 - HG2 LYS 26 far 0 97 0 - 5.5-15.2 HA LYS 19 - HG3 LYS 24 far 0 90 0 - 5.7-13.9 HA THR 25 - HG3 LYS 24 far 0 71 0 - 5.9-7.1 HA ALA 15 - HG3 LYS 19 far 0 99 0 - 6.2-12.6 HA GLN 27 - HG2 LYS 31 far 0 38 0 - 6.4-11.7 HA ALA 28 - HG3 LYS 24 far 0 53 0 - 6.5-15.3 HA THR 25 - HG2 LYS 31 far 0 45 0 - 6.5-16.4 HA SER 74 - HG3 LYS 19 far 0 89 0 - 6.7-32.9 HA ALA 15 - HG2 LYS 31 far 0 58 0 - 6.7-26.2 HA ALA 12 - HG3 LYS 19 far 0 93 0 - 6.8-21.3 HA ALA 21 - HG3 LYS 19 far 0 73 0 - 6.8-8.2 HA ALA 21 - HG2 LYS 31 far 0 38 0 - 6.8-23.7 HA THR 18 - HG3 LYS 24 far 0 85 0 - 6.9-13.6 HA ARG 23 - HG3 LYS 19 far 0 99 0 - 7.0-10.2 HA GLN 61 - HG3 LYS 24 far 0 87 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 90 0 - 7.1-9.9 HA LEU 22 - HG2 LYS 26 far 0 96 0 - 7.3-15.0 HA ALA 21 - HG3 LYS 24 far 0 60 0 - 7.4-9.5 HA ALA 28 - HG3 LYS 19 far 0 65 0 - 7.5-18.7 HA ALA 21 - HG2 LYS 26 far 0 68 0 - 7.6-16.6 HA LYS 31 - HG3 LYS 24 far 0 90 0 - 7.8-22.0 HA GLN 27 - HG3 LYS 19 far 0 73 0 - 7.8-18.4 HA LYS 26 - HG3 LYS 19 far 0 100 0 - 8.0-16.1 HA LYS 36 - HG2 LYS 26 far 0 89 0 - 8.0-20.6 HA ALA 28 - HG2 LYS 31 far 0 33 0 - 8.1-11.6 HA LYS 36 - HG2 LYS 31 far 0 53 0 - 8.1-14.6 HA LYS 19 - HG2 LYS 26 far 0 97 0 - 8.6-19.4 HA ALA 110 - HG3 LYS 24 far 0 81 0 - 9.0-50.5 HA LEU 22 - HG3 LYS 19 far 0 99 0 - 9.1-10.3 HA LYS 31 - HG3 LYS 19 far 0 100 0 - 9.3-20.3 HA GLN 27 - HG3 LYS 24 far 0 60 0 - 9.7-13.5 HA GLN 61 - HG2 LYS 26 far 0 94 0 - 9.8-39.3 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 20 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 97 97 100 100 2.3-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.2-3.0 3.0=100 HB2 ARG 23 - HG2 LYS 26 far 9 94 10 - 3.3-12.5 HB2 LYS 26 - HG2 LYS 31 far 6 61 10 - 3.3-13.1 HB2 LYS 31 - HG2 LYS 26 far 5 97 5 - 4.2-12.5 HB2 ARG 23 - HG2 LYS 31 far 0 57 0 - 5.0-19.9 HB2 LYS 24 - HG2 LYS 26 far 0 97 0 - 5.1-11.3 HB2 LYS 26 - HG3 LYS 24 far 0 90 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 98 0 - 5.6-9.7 HB2 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.8-19.4 HB2 ARG 23 - HG3 LYS 24 far 0 86 0 - 6.2-8.2 HB2 LYS 24 - HG2 LYS 31 far 0 61 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 90 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 90 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.7-18.0 HB2 LYS 31 - HG3 LYS 19 far 0 100 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 97 0 - 9.3-19.5 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 25 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 94 94 100 100 2.2-2.6 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.2-2.8 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 60 60 100 100 2.2-3.0 3.0=100 HB ILE 32 - HG2 LYS 26 far 10 96 10 - 4.2-14.8 HB3 ARG 23 - HG2 LYS 26 far 9 92 10 - 2.9-12.1 HB3 LYS 26 - HG2 LYS 31 far 6 58 10 - 3.1-12.9 HB3 ARG 23 - HG2 LYS 31 far 3 55 5 - 4.3-19.5 HB3 LYS 24 - HG2 LYS 26 far 0 95 0 - 4.7-10.8 HB3 LYS 31 - HG2 LYS 26 far 0 96 0 - 5.2-13.4 HB3 ARG 23 - HG3 LYS 24 far 0 84 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 100 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 89 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 60 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 56 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 90 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 87 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 93 0 - 7.1-19.6 HB3 LYS 24 - HG2 LYS 31 far 0 59 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 99 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 97 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.6-17.8 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 39 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 28 - HG2 LYS 26 far 9 88 10 - 3.2-8.8 QB ALA 16 - HG2 LYS 31 far 2 42 5 - 2.7-21.2 QB ALA 16 - HG3 LYS 19 far 0 81 0 - 3.7-9.6 QB ALA 29 - HG2 LYS 26 far 0 94 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 93 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 86 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 97 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 55 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 55 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 84 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 97 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 80 0 - 5.3-14.6 QB ALA 21 - HG3 LYS 19 far 0 73 0 - 5.3-6.8 QB ALA 21 - HG2 LYS 31 far 0 38 0 - 5.4-20.5 QB ALA 21 - HG3 LYS 24 far 0 60 0 - 6.0-8.5 HG2 LYS 24 - HG2 LYS 31 far 0 59 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 52 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 61 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 58 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 99 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 87 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 96 0 - 7.3-11.8 HG2 LYS 36 - HG2 LYS 31 far 0 56 0 - 7.6-15.4 HG3 LYS 31 - HG3 LYS 19 far 0 92 0 - 8.0-19.1 QB ALA 21 - HG2 LYS 26 far 0 68 0 - 8.0-14.9 HG2 LYS 24 - HG3 LYS 19 far 0 99 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 78 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 83 0 - 8.1-44.1 HG3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 93 0 - 9.0-22.2 QB ALA 16 - HG3 LYS 24 far 0 67 0 - 9.6-16.6 QB ALA 12 - HG3 LYS 24 far 0 84 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 84 0 - 9.9-18.6 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 37 assignments used, quality = 1.00: * HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 90 90 100 100 2.3-2.9 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 60 60 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 58 58 100 100 2.3-3.0 2.9=100 HD2 LYS 26 - HG3 LYS 24 far 4 86 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 4 83 5 - 3.7-12.6 HD3 LYS 26 - HG2 LYS 31 far 3 54 5 - 3.8-15.2 HG LEU 22 - HG3 LYS 24 far 2 49 5 - 3.5-7.9 HD2 LYS 26 - HG2 LYS 31 far 0 57 0 - 4.4-16.1 HD3 LYS 31 - HG2 LYS 26 far 0 94 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 96 0 - 6.0-20.3 HG LEU 22 - HG2 LYS 31 far 0 30 0 - 6.1-25.2 HD2 LYS 31 - HG2 LYS 26 far 0 96 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 99 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 90 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 54 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 87 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 97 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 55 0 - 7.5-22.6 HG LEU 22 - HG2 LYS 26 far 0 55 0 - 7.6-16.2 HD3 LYS 36 - HG2 LYS 26 far 0 92 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.7-19.0 HG LEU 22 - HG3 LYS 19 far 0 60 0 - 7.7-12.1 HD2 LYS 31 - HG3 LYS 24 far 0 89 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 92 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 61 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 55 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 97 0 - 9.9-15.8 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 41 assignments used, quality = 1.00: * HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.0 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 2.6-3.0 3.0=100 HD3 LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.3-2.9 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 59 59 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 56 56 100 100 2.3-3.0 2.9=100 HD2 LYS 26 - HG3 LYS 24 far 4 84 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 4 80 5 - 3.7-12.6 HG3 ARG 23 - HG2 LYS 26 far 3 58 5 - 3.3-13.9 HG LEU 22 - HG3 LYS 24 far 3 53 5 - 3.5-7.9 HD3 LYS 26 - HG2 LYS 31 far 3 52 5 - 3.8-15.2 HG3 ARG 23 - HG2 LYS 31 far 2 31 5 - 2.9-20.5 HD2 LYS 26 - HG2 LYS 31 far 0 55 0 - 4.4-16.1 HG3 ARG 23 - HG3 LYS 19 far 0 63 0 - 4.7-12.1 HG3 ARG 23 - HG3 LYS 24 far 0 51 0 - 4.9-9.1 HD3 LYS 31 - HG2 LYS 26 far 0 93 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 93 0 - 6.0-20.3 HG LEU 22 - HG2 LYS 31 far 0 33 0 - 6.1-25.2 HD2 LYS 31 - HG2 LYS 26 far 0 95 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 88 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 52 0 - 7.0-13.1 HD3 LYS 31 - HG3 LYS 24 far 0 85 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 96 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 53 0 - 7.5-22.6 HG LEU 22 - HG2 LYS 26 far 0 60 0 - 7.6-16.2 HD3 LYS 36 - HG2 LYS 26 far 0 89 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 99 0 - 7.7-19.0 HG LEU 22 - HG3 LYS 19 far 0 65 0 - 7.7-12.1 HD2 LYS 31 - HG3 LYS 24 far 0 88 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 89 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 60 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 53 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 95 0 - 9.9-15.8 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 34 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.3-4.2 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.0-4.2 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 HE2 LYS 26 - HG3 LYS 24 far 4 90 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 4 88 5 - 4.4-11.8 HE3 LYS 26 - HG2 LYS 31 far 3 59 5 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 24 far 0 90 0 - 5.6-22.4 HE3 LYS 24 - HG2 LYS 26 far 0 94 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 90 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 61 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 97 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 61 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 97 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 97 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 57 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 60 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 60 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 98 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 96 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 96 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 97 0 - 9.8-20.6 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 34 assignments used, quality = 1.00: HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.3-4.2 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.0-4.2 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 HE2 LYS 26 - HG3 LYS 24 far 4 90 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 4 88 5 - 4.4-11.8 HE3 LYS 26 - HG2 LYS 31 far 3 59 5 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 24 far 0 90 0 - 5.6-22.4 HE3 LYS 24 - HG2 LYS 26 far 0 94 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 90 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 61 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 97 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.7-20.3 HE2 LYS 24 - HG2 LYS 31 far 0 61 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 97 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 97 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 57 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 60 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 60 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 98 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 96 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 96 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 97 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 293 from aliabs.peaks (4.27, 1.65, 28.66 ppm; 3.63 A): 7 out of 112 assignments used, quality = 0.99: * HA LYS 19 + HD2 LYS 19 OK 67 100 70 96 3.6-5.5 5.2=35, 11871/10696=26...(42) HA LYS 31 + HD3 LYS 31 OK 57 79 75 96 2.0-4.8 5.2=34, 822/2.9=23...(34) HA LYS 31 + HD2 LYS 31 OK 57 84 70 96 2.0-4.9 5.2=34, 822/2.9=23...(34) HA LYS 36 + HD2 LYS 36 OK 48 76 65 97 4.2-5.0 5.3=33, 3.0/1031=25...(30) HA LYS 36 + HD3 LYS 36 OK 34 79 45 97 4.1-5.2 5.3=33, 3.0/1031=26...(30) HA LYS 26 + HD2 LYS 26 OK 33 77 45 96 3.8-5.5 5.0=39, ~6253=23...(32) HA LYS 26 + HD3 LYS 26 OK 30 69 45 96 2.5-5.2 5.0=39, ~6253=23...(32) HA LEU 22 - HD3 LYS 24 poor 20 98 20 - 1.9-8.8 HA ALA 16 - HD2 LYS 19 far 15 100 15 - 3.4-10.2 HA LEU 22 - HD2 LYS 24 poor 13 86 35 43 2.0-8.9 401/10812=11, ~1309=8...(12) HA THR 25 - HD2 LYS 26 poor 12 59 20 - 3.0-7.4 HA LYS 19 - HD3 LYS 19 far 10 100 10 - 3.9-5.5 HA THR 25 - HD3 LYS 26 far 8 53 15 - 4.3-7.0 HA ALA 15 - HD2 LYS 19 far 5 99 5 - 4.4-12.5 HA ARG 23 - HD3 LYS 24 far 5 97 5 - 3.7-7.9 HA ALA 28 - HD2 LYS 26 far 4 43 10 - 3.8-10.7 HA LYS 19 - HD2 LYS 31 far 4 84 5 - 3.8-21.0 HA THR 25 - HD3 LYS 24 far 4 82 5 - 3.4-7.5 HA LYS 19 - HD3 LYS 31 far 4 79 5 - 2.1-21.0 HA LYS 31 - HD2 LYS 26 far 4 77 5 - 3.8-16.5 HA ARG 23 - HD2 LYS 26 far 4 75 5 - 2.1-11.5 HA ARG 23 - HD3 LYS 26 far 3 67 5 - 3.6-11.3 HA GLN 27 - HD2 LYS 26 far 2 49 5 - 3.8-7.8 HA ALA 28 - HD3 LYS 26 far 2 38 5 - 4.4-10.1 HA ALA 16 - HD3 LYS 19 lone 1 99 25 2 2.1-10.6 HA GLN 27 - HD3 LYS 31 far 0 51 0 - 4.6-13.2 HA ARG 23 - HD2 LYS 24 far 0 85 0 - 4.8-8.7 HA ALA 15 - HD3 LYS 19 far 0 98 0 - 4.8-12.5 HA ALA 21 - HD2 LYS 24 far 0 58 0 - 5.0-11.7 HA LYS 31 - HD3 LYS 26 far 0 70 0 - 5.0-16.1 HA LEU 22 - HD3 LYS 31 far 0 78 0 - 5.1-21.9 HA THR 18 - HD3 LYS 19 far 0 97 0 - 5.1-7.8 HA THR 25 - HD2 LYS 24 far 0 69 0 - 5.2-8.2 HA THR 18 - HD2 LYS 19 far 0 97 0 - 5.2-7.4 HA GLN 27 - HD2 LYS 31 far 0 55 0 - 5.4-13.0 HA GLN 27 - HD3 LYS 26 far 0 44 0 - 5.5-7.8 HA SER 74 - HD3 LYS 19 far 0 88 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 83 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 81 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 71 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 88 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 77 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 74 0 - 6.1-23.4 HA ALA 28 - HD3 LYS 24 far 0 63 0 - 6.2-15.8 HA ALA 21 - HD2 LYS 26 far 0 49 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 75 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 99 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 82 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 93 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 83 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 100 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 82 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 65 0 - 6.8-18.4 HA ALA 28 - HD2 LYS 19 far 0 65 0 - 6.9-20.2 HA LYS 26 - HD3 LYS 31 far 0 79 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 89 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 68 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 74 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 85 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 84 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 99 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 78 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 76 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 79 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 93 0 - 7.5-20.7 HA GLN 27 - HD2 LYS 19 far 0 73 0 - 7.5-19.3 HA LYS 36 - HD2 LYS 31 far 0 75 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 73 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 61 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 73 0 - 7.7-10.6 HA GLN 27 - HD3 LYS 19 far 0 73 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 45 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 61 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 44 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 51 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 65 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 95 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 70 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 48 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 51 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 68 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 97 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 67 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 99 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 77 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 88 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 99 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 72 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 71 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 88 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 85 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 70 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 84 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 79 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 58 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 60 0 - 9.4-36.0 HA SER 124 - HD2 LYS 95 far 0 39 0 - 9.5-13.8 HA LYS 31 - HD3 LYS 24 far 0 99 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 67 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 66 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 65 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 74 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 55 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 88 0 - 9.7-25.1 HA ALA 28 - HD2 LYS 36 far 0 49 0 - 9.7-15.3 HA THR 25 - HD2 LYS 36 far 0 66 0 - 9.7-20.9 HA SER 124 - HD3 LYS 95 far 0 35 0 - 9.8-13.9 HA LEU 22 - HD2 LYS 19 far 0 99 0 - 9.9-12.2 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 52 assignments used, quality = 1.00: * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HB2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 88 88 100 100 3.0-4.2 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 2.0-4.0 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 70 70 100 100 1.9-3.7 3.5=100 HB2 LYS 31 - HD3 LYS 26 poor 17 70 25 - 2.6-13.4 HB2 ARG 23 - HD3 LYS 24 far 10 96 10 - 4.6-9.3 HB2 ARG 23 - HD2 LYS 24 far 8 84 10 - 5.4-10.0 HB2 LYS 24 - HD2 LYS 26 far 8 77 10 - 3.8-12.9 HB2 LYS 19 - HD2 LYS 31 far 4 84 5 - 5.5-20.9 HB2 LYS 26 - HD2 LYS 31 far 4 84 5 - 5.5-14.9 HB2 LYS 19 - HD3 LYS 31 far 4 79 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 4 79 5 - 5.6-14.8 HB2 ARG 23 - HD2 LYS 26 far 4 73 5 - 4.1-14.0 HB2 LYS 24 - HD3 LYS 26 far 3 70 5 - 3.3-12.3 HB2 ARG 23 - HD3 LYS 26 far 3 66 5 - 5.5-13.8 HB2 LYS 31 - HD2 LYS 26 lone 2 77 30 9 2.4-13.9 809/6348=5, 6331/6336=2 HB2 ARG 23 - HD3 LYS 31 far 0 75 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 80 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 99 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 98 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 84 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 79 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 85 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 88 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 85 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 98 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 88 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 72 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 66 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 88 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 85 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 88 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 74 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 70 0 - 8.5-20.9 HB3 LEU 70 - HD2 LYS 95 far 0 37 0 - 8.5-14.1 HB2 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 65 0 - 8.6-11.4 HB3 LEU 70 - HD3 LYS 95 far 0 33 0 - 8.6-14.1 HB2 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 88 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 9.1-20.0 HB3 LEU 70 - HD3 LYS 24 far 0 57 0 - 9.8-36.3 HB3 LEU 70 - HD2 LYS 24 far 0 47 0 - 10.0-36.9 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 71 assignments used, quality = 1.00: * HB3 LYS 19 + HD2 LYS 19 OK 98 100 100 98 2.9-3.9 3.9=67, 9824/10696=11...(77) HB3 LYS 19 + HD3 LYS 19 OK 98 100 100 98 2.4-4.2 3.9=67, 6150/6.2=11...(79) HB3 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.1-3.7 3.5=93, 482/546=36...(39) HB3 LYS 24 + HD2 LYS 24 OK 85 85 100 100 2.3-4.2 3.5=93, 482/5.4=25...(39) HB3 LYS 31 + HD2 LYS 31 OK 83 83 100 100 2.1-3.8 3.5=96, 6332/6336=19...(71) HB2 LYS 36 + HD3 LYS 36 OK 82 83 100 100 2.2-3.5 3.5=94, 1.8/1031=32...(78) HB2 LYS 36 + HD2 LYS 36 OK 80 80 100 100 2.0-3.6 3.5=94, 1.8/1031=31...(78) HB3 LYS 31 + HD3 LYS 31 OK 78 78 100 100 2.0-4.2 3.5=96, 6332/6.2=17...(71) HB3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.3-4.0 3.5=94, 6251/5.7=21...(77) HB3 LYS 26 + HD3 LYS 26 OK 66 67 100 100 2.2-4.2 3.5=94, 6251/5.7=21...(77) HB3 LYS 24 - HD2 LYS 26 far 7 75 10 - 2.5-11.6 HB3 LYS 19 - HD3 LYS 31 far 4 79 5 - 4.3-19.1 HB3 LYS 31 - HD2 LYS 26 far 4 76 5 - 3.5-15.2 HB3 ARG 23 - HD2 LYS 26 far 4 71 5 - 4.3-13.4 HB3 LYS 31 - HD3 LYS 26 far 3 69 5 - 3.8-14.8 HB3 LYS 24 - HD3 LYS 26 far 3 67 5 - 2.8-11.2 HB ILE 32 - HD2 LYS 26 far 0 77 0 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 0 79 0 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 0 84 0 - 4.6-8.0 HB3 LEU 98 - HD3 LYS 95 far 0 41 0 - 4.7-8.0 HB ILE 32 - HD3 LYS 26 far 0 69 0 - 4.8-14.9 HB3 ARG 23 - HD3 LYS 26 far 0 64 0 - 4.9-13.2 HB ILE 32 - HD2 LYS 31 far 0 83 0 - 4.9-9.0 HB3 LYS 26 - HD3 LYS 31 far 0 76 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 81 0 - 5.2-13.2 HB3 LEU 98 - HD2 LYS 95 far 0 47 0 - 5.2-8.5 HB3 ARG 23 - HD3 LYS 24 far 0 94 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 87 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 100 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 84 0 - 6.0-19.2 HB VAL 93 - HD3 LYS 95 far 0 47 0 - 6.0-8.5 HB VAL 93 - HD2 LYS 95 far 0 53 0 - 6.2-8.6 HB3 LYS 31 - HD3 LYS 19 far 0 99 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 81 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 73 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 79 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 78 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 72 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 77 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 70 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 65 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 74 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 77 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 82 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 98 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 88 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 96 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 82 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 98 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 97 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 85 0 - 8.4-23.3 HB2 LEU 48 - HD3 LYS 26 far 0 37 0 - 8.6-37.3 HB ILE 32 - HD3 LYS 19 far 0 100 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 84 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 98 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 60 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 84 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 84 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 100 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 59 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.5-17.0 HB2 LEU 48 - HD2 LYS 26 far 0 41 0 - 9.5-38.2 HB3 LEU 122 - HD3 LYS 95 far 0 53 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 58 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 79 0 - 9.8-24.4 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 103 assignments used, quality = 1.00: * HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 83 83 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 80 80 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 72 72 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 71 71 100 100 2.4-2.9 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 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 63 63 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 58 58 100 100 2.4-3.0 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 2.3-3.0 2.9=100 QB ALA 15 - HD2 LYS 19 far 14 97 15 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 10 96 10 - 3.1-10.4 QB ALA 16 - HD2 LYS 19 far 8 81 10 - 2.3-9.2 QB ALA 28 - HD2 LYS 19 far 5 93 5 - 3.8-16.2 QB ALA 15 - HD2 LYS 31 far 4 78 5 - 3.7-21.3 QB ALA 29 - HD2 LYS 26 far 4 74 5 - 4.1-12.5 QB ALA 16 - HD2 LYS 31 far 3 61 5 - 2.7-21.0 HG3 LYS 31 - HD3 LYS 26 far 3 59 5 - 4.1-16.0 QB ALA 16 - HD3 LYS 31 far 3 57 5 - 4.1-20.4 QB ALA 16 - HD3 LYS 19 lone 0 80 30 2 2.4-9.7 QB ALA 29 - HD3 LYS 26 far 0 67 0 - 4.6-11.8 QB ALA 28 - HD2 LYS 26 far 0 67 0 - 4.6-9.5 QB ALA 28 - HD3 LYS 19 far 0 93 0 - 4.7-17.0 HG3 LYS 31 - HD2 LYS 26 far 0 66 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 75 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 73 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 60 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 68 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 82 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 69 0 - 5.4-10.1 QB ALA 21 - HD2 LYS 24 far 0 58 0 - 5.4-10.5 QB ALA 21 - HD3 LYS 19 far 0 73 0 - 5.5-8.6 HG2 LYS 19 - HD3 LYS 31 far 0 79 0 - 5.6-20.4 QB ALA 21 - HD2 LYS 19 far 0 73 0 - 5.6-8.3 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 81 0 - 5.8-10.1 QB ALA 21 - HD3 LYS 24 far 0 71 0 - 5.9-10.6 QB ALA 12 - HD3 LYS 19 far 0 96 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 74 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 97 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 94 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 82 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 69 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 6.3-14.0 QB ALA 21 - HD3 LYS 31 far 0 51 0 - 6.4-19.1 HG2 LYS 19 - HD2 LYS 26 far 0 77 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 70 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 76 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 84 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 77 0 - 6.6-15.0 QB ALA 21 - HD2 LYS 26 far 0 49 0 - 6.6-15.8 HG3 LYS 26 - HD2 LYS 24 far 0 81 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 92 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 73 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 36 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 72 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 62 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 41 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 89 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 78 0 - 7.5-14.9 QB ALA 21 - HD2 LYS 31 far 0 55 0 - 7.5-19.4 QB ALA 29 - HD2 LYS 19 far 0 99 0 - 7.6-18.2 QB ALA 21 - HD3 LYS 26 far 0 44 0 - 7.8-16.0 QB ALA 110 - HD2 LYS 24 far 0 80 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 99 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 84 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 65 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 87 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 79 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 91 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 79 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 73 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 73 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 74 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 98 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 85 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 64 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 76 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 93 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 62 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 49 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 65 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 81 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 78 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 81 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 88 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 55 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 75 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 71 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 65 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 96 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 78 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 64 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 76 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 94 0 - 10.0-20.6 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 61 assignments used, quality = 1.00: * HG3 LYS 19 + HD2 LYS 19 OK 93 100 100 93 2.3-3.0 3.0=88, 6152/6.2=7...(25) HG3 LYS 19 + HD3 LYS 19 OK 93 100 100 93 2.4-3.0 3.0=88, 6152/6.2=7...(25) HG3 LYS 24 + HD3 LYS 24 OK 89 95 100 93 2.6-3.0 3.0=87, 484/546=19...(16) HG3 LYS 24 + HD2 LYS 24 OK 77 83 100 93 2.2-3.0 3.0=87, 524/5.4=14...(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 2.3-2.9 2.9=95, 6252/5.7=12...(15) HG3 LYS 36 + HD3 LYS 36 OK 61 65 100 94 2.2-3.0 3.0=86, 3.0/1031=16...(21) HG2 LYS 31 + HD2 LYS 31 OK 60 65 100 93 2.2-3.0 2.9=90, 5.0/6336=7...(13) HG3 LYS 36 + HD2 LYS 36 OK 58 62 100 94 2.3-2.9 3.0=86, 3.0/1031=15...(21) HG2 LYS 31 + HD3 LYS 31 OK 56 61 100 92 2.3-3.0 2.9=90, 5.0/6336=6...(13) HG13 ILE 32 - HD3 LYS 31 far 8 75 10 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 26 far 7 73 10 - 3.0-13.6 QB ALA 34 - HD2 LYS 26 far 5 51 10 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 far 5 46 10 - 2.0-17.7 HG13 ILE 32 - HD2 LYS 31 far 4 80 5 - 3.7-8.9 HG13 ILE 32 - HD3 LYS 26 far 3 66 5 - 3.5-12.7 HG3 LYS 24 - HD3 LYS 26 far 3 65 5 - 3.7-12.6 QB ALA 92 - HD3 LYS 95 far 3 63 5 - 3.6-6.7 QB ALA 92 - HD2 LYS 95 far 0 71 0 - 3.8-6.7 HG2 LYS 31 - HD3 LYS 26 far 0 53 0 - 3.8-15.2 HG3 LYS 24 - HD2 LYS 26 far 0 72 0 - 3.9-13.0 HG2 LYS 31 - HD2 LYS 26 far 0 59 0 - 4.4-16.1 QB ALA 34 - HD3 LYS 36 far 0 60 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 76 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 73 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 75 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 58 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 77 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 55 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 81 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 60 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 70 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 82 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 77 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 57 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 49 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 53 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 82 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 66 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 61 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 84 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 57 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 74 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 97 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 69 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 85 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 79 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 85 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 82 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 96 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 84 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 69 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 98 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 98 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 97 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 84 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 88 0 - 9.9-15.8 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 89 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 24 + HD3 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 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 69 69 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 3 66 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 73 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 69 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 85 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 83 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 84 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 86 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 85 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 87 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 79 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 82 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 77 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 75 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 80 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 78 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 77 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 77 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 85 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 62 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 79 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 85 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 70 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 79 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 83 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 70 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 77 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 77 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 69 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 79 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 69 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 85 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 53 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 47 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 85 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 301 from aliabs.peaks (2.95, 1.65, 28.66 ppm; 3.39 A): 20 out of 89 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 24 + HD3 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 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 69 69 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 3 66 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 73 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 69 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 85 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 83 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 84 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 86 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 85 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 87 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 79 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 82 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 77 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 75 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 80 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 78 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 77 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 77 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 85 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 62 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 79 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 85 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 70 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 79 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 83 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 70 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 77 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 77 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 69 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 88 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 79 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 69 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 85 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 53 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 47 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 85 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 304 from aliabs.peaks (4.27, 1.65, 28.66 ppm; 3.61 A): 7 out of 112 assignments used, quality = 0.98: HA LYS 19 + HD2 LYS 19 OK 62 100 65 95 3.6-5.5 5.2=34, 11871/10696=26...(42) HA LYS 31 + HD2 LYS 31 OK 55 81 70 96 2.0-4.9 5.2=33, 822/2.9=23...(34) HA LYS 31 + HD3 LYS 31 OK 50 75 70 96 2.0-4.8 5.2=33, 822/2.9=23...(33) HA LYS 36 + HD2 LYS 36 OK 44 70 65 96 4.2-5.0 5.3=32, 3.0/1042=23...(30) HA LYS 26 + HD2 LYS 26 OK 31 72 45 95 3.8-5.5 5.0=38, ~6253=22...(32) HA LYS 36 + HD3 LYS 36 OK 28 73 40 96 4.1-5.2 5.3=32, 3.0/1031=24...(30) HA LYS 26 + HD3 LYS 26 OK 21 64 35 95 2.5-5.2 5.0=38, ~6253=22...(32) HA ALA 16 - HD3 LYS 19 poor 20 100 20 - 2.1-10.6 HA LEU 22 - HD3 LYS 24 poor 19 96 20 - 1.9-8.8 HA ALA 16 - HD2 LYS 19 far 15 99 15 - 3.4-10.2 HA LEU 22 - HD2 LYS 24 poor 12 80 35 41 2.0-8.9 401/10812=9, ~1309=8...(12) HA THR 25 - HD2 LYS 26 poor 11 55 20 - 3.0-7.4 ! HA LYS 19 - HD3 LYS 19 far 10 100 10 - 3.9-5.5 HA ALA 15 - HD2 LYS 19 far 5 98 5 - 4.4-12.5 HA ARG 23 - HD3 LYS 24 far 5 96 5 - 3.7-7.9 HA LYS 19 - HD2 LYS 31 far 4 81 5 - 3.8-21.0 HA ALA 28 - HD2 LYS 26 far 4 40 10 - 3.8-10.7 HA THR 25 - HD3 LYS 24 far 4 80 5 - 3.4-7.5 HA LYS 19 - HD3 LYS 31 far 4 75 5 - 2.1-21.0 HA LYS 31 - HD2 LYS 26 far 4 73 5 - 3.8-16.5 HA ARG 23 - HD2 LYS 26 far 4 70 5 - 2.1-11.5 HA ARG 23 - HD3 LYS 26 far 3 62 5 - 3.6-11.3 HA THR 25 - HD3 LYS 26 far 2 48 5 - 4.3-7.0 HA GLN 27 - HD2 LYS 26 far 2 46 5 - 3.8-7.8 HA ALA 28 - HD3 LYS 26 far 2 35 5 - 4.4-10.1 HA GLN 27 - HD3 LYS 31 far 0 48 0 - 4.6-13.2 HA ARG 23 - HD2 LYS 24 far 0 79 0 - 4.8-8.7 HA ALA 15 - HD3 LYS 19 far 0 99 0 - 4.8-12.5 HA ALA 21 - HD2 LYS 24 far 0 53 0 - 5.0-11.7 HA LYS 31 - HD3 LYS 26 far 0 64 0 - 5.0-16.1 HA LEU 22 - HD3 LYS 31 far 0 73 0 - 5.1-21.9 HA THR 18 - HD3 LYS 19 far 0 97 0 - 5.1-7.8 HA THR 25 - HD2 LYS 24 far 0 63 0 - 5.2-8.2 HA THR 18 - HD2 LYS 19 far 0 97 0 - 5.2-7.4 HA GLN 27 - HD2 LYS 31 far 0 53 0 - 5.4-13.0 HA GLN 27 - HD3 LYS 26 far 0 40 0 - 5.5-7.8 HA SER 74 - HD3 LYS 19 far 0 89 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 80 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 78 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 69 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 82 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 73 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 70 0 - 6.1-23.4 HA ALA 28 - HD3 LYS 24 far 0 61 0 - 6.2-15.8 HA ALA 21 - HD2 LYS 26 far 0 46 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 71 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 98 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 79 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 93 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 77 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 100 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 79 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 62 0 - 6.8-18.4 HA ALA 28 - HD2 LYS 19 far 0 65 0 - 6.9-20.2 HA LYS 26 - HD3 LYS 31 far 0 75 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 88 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 62 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 69 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 79 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 81 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 97 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 74 0 - 7.3-24.5 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 76 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 93 0 - 7.5-20.7 HA GLN 27 - HD2 LYS 19 far 0 73 0 - 7.5-19.3 HA LYS 36 - HD2 LYS 31 far 0 72 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 73 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 57 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 73 0 - 7.7-10.6 HA GLN 27 - HD3 LYS 19 far 0 73 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 42 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 56 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 40 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 47 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 65 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 94 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 66 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 46 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 48 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 64 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 95 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 61 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 99 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 73 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 82 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 99 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 67 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 69 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 82 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 82 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 79 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 64 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 79 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 73 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 53 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 55 0 - 9.4-36.0 HA SER 124 - HD2 LYS 95 far 0 38 0 - 9.5-13.8 HA LYS 31 - HD3 LYS 24 far 0 98 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 61 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 62 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 59 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 72 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 53 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 82 0 - 9.7-25.1 HA ALA 28 - HD2 LYS 36 far 0 44 0 - 9.7-15.3 HA THR 25 - HD2 LYS 36 far 0 60 0 - 9.7-20.9 HA SER 124 - HD3 LYS 95 far 0 32 0 - 9.8-13.9 HA LEU 22 - HD2 LYS 19 far 0 99 0 - 9.9-12.2 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 52 assignments used, quality = 1.00: * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.6 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.1-3.8 3.9=100 HB2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 82 82 100 100 3.0-4.2 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 2.0-4.0 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 1.9-3.7 3.5=100 HB2 LYS 31 - HD3 LYS 26 poor 16 64 25 - 2.6-13.4 HB2 ARG 23 - HD3 LYS 24 far 9 94 10 - 4.6-9.3 HB2 ARG 23 - HD2 LYS 24 far 8 78 10 - 5.4-10.0 HB2 LYS 24 - HD2 LYS 26 far 7 73 10 - 3.8-12.9 HB2 LYS 19 - HD2 LYS 31 far 4 81 5 - 5.5-20.9 HB2 LYS 26 - HD2 LYS 31 far 4 81 5 - 5.5-14.9 HB2 LYS 19 - HD3 LYS 31 far 4 75 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 4 75 5 - 5.6-14.8 HB2 ARG 23 - HD2 LYS 26 far 3 68 5 - 4.1-14.0 HB2 LYS 24 - HD3 LYS 26 far 3 64 5 - 3.3-12.3 HB2 ARG 23 - HD3 LYS 26 far 3 60 5 - 5.5-13.8 HB2 LYS 31 - HD2 LYS 26 lone 2 73 30 9 2.4-13.9 809/6348=4, 6331/6336=2 HB2 ARG 23 - HD3 LYS 31 far 0 71 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 77 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 98 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 98 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 81 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 75 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 79 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 82 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 79 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 98 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 82 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 70 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 62 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 82 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 79 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 82 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 72 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 64 0 - 8.5-20.9 HB3 LEU 70 - HD2 LYS 95 far 0 36 0 - 8.5-14.1 HB2 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 98 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 60 0 - 8.6-11.4 HB3 LEU 70 - HD3 LYS 95 far 0 30 0 - 8.6-14.1 HB2 LYS 19 - HD3 LYS 36 far 0 82 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 82 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 98 0 - 9.1-20.0 HB3 LEU 70 - HD3 LYS 24 far 0 56 0 - 9.8-36.3 HB3 LEU 70 - HD2 LYS 24 far 0 43 0 - 10.0-36.9 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 71 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 98 100 100 98 2.4-4.2 3.9=65, 6150/6.2=11...(79) HB3 LYS 19 + HD2 LYS 19 OK 98 100 100 98 2.9-3.9 3.9=65, 9824/10696=11...(77) HB3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=91, 482/546=34...(39) HB3 LYS 31 + HD2 LYS 31 OK 80 80 100 100 2.1-3.8 3.5=94, 6332/6336=18...(71) HB3 LYS 24 + HD2 LYS 24 OK 79 79 100 100 2.3-4.2 3.5=91, 482/5.4=25...(39) HB2 LYS 36 + HD3 LYS 36 OK 77 77 100 100 2.2-3.5 3.5=92, 1.8/1031=29...(78) HB3 LYS 31 + HD3 LYS 31 OK 73 74 100 100 2.0-4.2 3.5=94, 6332/6.2=17...(71) HB2 LYS 36 + HD2 LYS 36 OK 73 73 100 100 2.0-3.6 3.5=92, 1.8/1031=28...(78) HB3 LYS 26 + HD2 LYS 26 OK 69 69 100 100 2.3-4.0 3.5=92, 6251/5.7=21...(77) HB3 LYS 26 + HD3 LYS 26 OK 61 61 100 100 2.2-4.2 3.5=92, 6251/5.7=21...(77) HB3 LYS 24 - HD2 LYS 26 far 7 70 10 - 2.5-11.6 HB3 LYS 31 - HD2 LYS 26 far 4 71 5 - 3.5-15.2 HB3 ARG 23 - HD2 LYS 26 far 3 66 5 - 4.3-13.4 HB3 LYS 31 - HD3 LYS 26 far 3 63 5 - 3.8-14.8 HB3 LYS 24 - HD3 LYS 26 far 3 62 5 - 2.8-11.2 HB3 LYS 19 - HD3 LYS 31 far 0 75 0 - 4.3-19.1 HB ILE 32 - HD2 LYS 26 far 0 72 0 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 0 74 0 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 0 78 0 - 4.6-8.0 HB3 LEU 98 - HD3 LYS 95 far 0 38 0 - 4.7-8.0 HB ILE 32 - HD3 LYS 26 far 0 63 0 - 4.8-14.9 HB3 ARG 23 - HD3 LYS 26 far 0 58 0 - 4.9-13.2 HB ILE 32 - HD2 LYS 31 far 0 80 0 - 4.9-9.0 HB3 LYS 26 - HD3 LYS 31 far 0 72 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 78 0 - 5.2-13.2 HB3 LEU 98 - HD2 LYS 95 far 0 45 0 - 5.2-8.5 HB3 ARG 23 - HD3 LYS 24 far 0 93 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 81 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 99 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 81 0 - 6.0-19.2 HB VAL 93 - HD3 LYS 95 far 0 43 0 - 6.0-8.5 HB VAL 93 - HD2 LYS 95 far 0 51 0 - 6.2-8.6 HB3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 76 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 69 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 76 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 81 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 75 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 67 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 73 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 64 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 59 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 70 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 73 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 79 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 97 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 82 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 75 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 96 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 98 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 97 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 95 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 79 0 - 8.4-23.3 HB2 LEU 48 - HD3 LYS 26 far 0 33 0 - 8.6-37.3 HB ILE 32 - HD3 LYS 19 far 0 100 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 82 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 77 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 55 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 79 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 79 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 100 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 57 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.5-17.0 HB2 LEU 48 - HD2 LYS 26 far 0 38 0 - 9.5-38.2 HB3 LEU 122 - HD3 LYS 95 far 0 49 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 53 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 72 0 - 9.8-24.4 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 103 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 2.4-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 77 77 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 73 73 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 69 69 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 66 66 100 100 2.4-2.9 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 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 58 58 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 56 56 100 100 2.4-3.0 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 2.3-3.0 2.9=100 QB ALA 15 - HD2 LYS 19 far 14 96 15 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 10 97 10 - 3.1-10.4 QB ALA 16 - HD2 LYS 19 far 8 80 10 - 2.3-9.2 QB ALA 28 - HD2 LYS 19 far 5 93 5 - 3.8-16.2 QB ALA 15 - HD2 LYS 31 far 4 75 5 - 3.7-21.3 QB ALA 29 - HD2 LYS 26 far 3 69 5 - 4.1-12.5 QB ALA 16 - HD2 LYS 31 far 3 59 5 - 2.7-21.0 HG3 LYS 31 - HD3 LYS 26 far 3 53 5 - 4.1-16.0 QB ALA 16 - HD3 LYS 19 lone 0 81 30 2 2.4-9.7 QB ALA 16 - HD3 LYS 31 far 0 53 0 - 4.1-20.4 QB ALA 29 - HD3 LYS 26 far 0 61 0 - 4.6-11.8 QB ALA 28 - HD2 LYS 26 far 0 63 0 - 4.6-9.5 QB ALA 28 - HD3 LYS 19 far 0 93 0 - 4.7-17.0 HG3 LYS 31 - HD2 LYS 26 far 0 61 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 71 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 69 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 55 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 62 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 75 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 65 0 - 5.4-10.1 QB ALA 21 - HD2 LYS 24 far 0 53 0 - 5.4-10.5 QB ALA 21 - HD3 LYS 19 far 0 73 0 - 5.5-8.6 HG2 LYS 19 - HD3 LYS 31 far 0 75 0 - 5.6-20.4 QB ALA 21 - HD2 LYS 19 far 0 73 0 - 5.6-8.3 HG2 LYS 24 - HD3 LYS 31 far 0 73 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 78 0 - 5.8-10.1 QB ALA 21 - HD3 LYS 24 far 0 69 0 - 5.9-10.6 QB ALA 12 - HD3 LYS 19 far 0 97 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 71 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 96 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 93 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 79 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 67 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 89 0 - 6.3-14.0 QB ALA 21 - HD3 LYS 31 far 0 48 0 - 6.4-19.1 HG2 LYS 19 - HD2 LYS 26 far 0 73 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 64 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 72 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 79 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 72 0 - 6.6-15.0 QB ALA 21 - HD2 LYS 26 far 0 46 0 - 6.6-15.8 HG3 LYS 26 - HD2 LYS 24 far 0 76 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 91 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 69 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 33 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 67 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 57 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 40 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 75 0 - 7.5-14.9 QB ALA 21 - HD2 LYS 31 far 0 53 0 - 7.5-19.4 QB ALA 29 - HD2 LYS 19 far 0 98 0 - 7.6-18.2 QB ALA 21 - HD3 LYS 26 far 0 40 0 - 7.8-16.0 QB ALA 110 - HD2 LYS 24 far 0 74 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 99 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 79 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 59 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 82 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 72 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 92 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 76 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 67 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 70 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 99 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 78 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 58 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 70 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 91 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 57 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 45 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 59 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 76 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 75 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 76 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 82 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 51 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 68 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 66 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 59 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 97 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 76 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 58 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 70 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 93 0 - 10.0-20.6 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 61 assignments used, quality = 1.00: * HG3 LYS 19 + HD3 LYS 19 OK 92 100 100 92 2.4-3.0 3.0=86, 6152/6.2=7...(25) HG3 LYS 19 + HD2 LYS 19 OK 92 100 100 92 2.3-3.0 3.0=86, 6152/6.2=7...(25) HG3 LYS 24 + HD3 LYS 24 OK 87 94 100 92 2.6-3.0 3.0=86, 484/546=18...(16) HG3 LYS 24 + HD2 LYS 24 OK 70 77 100 92 2.2-3.0 3.0=86, 524/5.4=13...(16) HG2 LYS 26 + HD2 LYS 26 OK 67 70 100 95 2.2-3.0 2.9=93, 6252/5.7=12...(15) HG2 LYS 26 + HD3 LYS 26 OK 59 62 100 95 2.3-2.9 2.9=93, 6252/5.7=12...(15) HG2 LYS 31 + HD2 LYS 31 OK 57 62 100 91 2.2-3.0 2.9=88, 5.0/6336=7...(13) HG3 LYS 36 + HD3 LYS 36 OK 55 59 100 93 2.2-3.0 3.0=85, 3.0/1031=15...(21) HG3 LYS 36 + HD2 LYS 36 OK 53 57 100 93 2.3-2.9 3.0=85, 3.0/1031=14...(21) HG2 LYS 31 + HD3 LYS 31 OK 52 57 100 91 2.3-3.0 2.9=88, 5.0/6336=5...(13) HG13 ILE 32 - HD3 LYS 31 far 7 71 10 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 26 far 7 68 10 - 3.0-13.6 QB ALA 34 - HD3 LYS 26 far 4 41 10 - 2.0-17.7 HG13 ILE 32 - HD2 LYS 31 far 4 77 5 - 3.7-8.9 HG13 ILE 32 - HD3 LYS 26 far 3 60 5 - 3.5-12.7 HG3 LYS 24 - HD3 LYS 26 far 3 59 5 - 3.7-12.6 QB ALA 92 - HD3 LYS 95 far 3 59 5 - 3.6-6.7 QB ALA 34 - HD2 LYS 26 far 2 48 5 - 3.3-18.8 QB ALA 92 - HD2 LYS 95 far 0 68 0 - 3.8-6.7 HG2 LYS 31 - HD3 LYS 26 far 0 48 0 - 3.8-15.2 HG3 LYS 24 - HD2 LYS 26 far 0 67 0 - 3.9-13.0 HG2 LYS 31 - HD2 LYS 26 far 0 55 0 - 4.4-16.1 QB ALA 34 - HD3 LYS 36 far 0 55 0 - 4.6-6.4 QB ALA 34 - HD2 LYS 19 far 0 75 0 - 4.8-21.3 QB ALA 34 - HD3 LYS 24 far 0 71 0 - 5.1-26.2 QB ALA 34 - HD3 LYS 19 far 0 76 0 - 5.2-22.3 QB ALA 34 - HD2 LYS 36 far 0 53 0 - 5.2-6.9 HG2 LYS 26 - HD3 LYS 31 far 0 73 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 51 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 74 0 - 5.5-10.0 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 64 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 79 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 73 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 45 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 50 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 76 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 60 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 78 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 53 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 70 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 96 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 63 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 79 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 76 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 79 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 80 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 94 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 63 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 98 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 98 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 97 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 78 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 82 0 - 9.9-15.8 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 89 assignments used, quality = 1.00: * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 71 71 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 62 62 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 3 60 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 68 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 64 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 97 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 78 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 97 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 77 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 81 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 80 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 97 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 78 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 82 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 80 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 75 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 82 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 79 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 72 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 71 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 77 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 82 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 73 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 72 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 72 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 82 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 78 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 82 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 57 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 59 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 81 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 75 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 82 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 79 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 64 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 74 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 80 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 64 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 82 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 63 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 82 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 74 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 63 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 79 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 51 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 43 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 78 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 312 from aliabs.peaks (2.95, 1.65, 28.66 ppm; 3.36 A): 20 out of 89 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 71 71 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 62 62 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 3 60 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 68 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 64 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 97 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 78 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 97 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 77 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 81 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 80 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 97 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 78 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 82 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 80 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 75 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 82 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 79 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 72 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 71 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 77 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 82 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 73 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 72 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 72 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 82 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 78 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 82 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 57 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 59 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 81 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 75 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 82 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 79 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 64 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 74 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 80 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 64 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 82 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 63 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 82 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 74 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 63 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 79 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 51 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 43 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 78 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 315 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 4.56 A): 10 out of 106 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 81 100 85 96 2.0-6.1 6.5=35, 822/3.7=29...(27) HA LYS 19 + HE3 LYS 19 OK 76 100 80 95 4.2-6.1 6.4=37, 627/3.8=25...(35) HA THR 25 + HE3 LYS 26 OK 72 81 95 94 3.2-7.5 9587=56, 11150/3.6=55...(12) HA LYS 26 + HE3 LYS 26 OK 71 98 80 91 3.2-6.0 6.6=33, 627/3.6=27...(23) HA LYS 26 + HE2 LYS 26 OK 64 100 70 92 2.8-6.5 6.6=33, 627/3.6=27...(23) HA LYS 31 + HE3 LYS 31 OK 57 100 60 96 2.6-6.0 6.5=35, 822/3.7=29...(27) * HA LYS 19 + HE2 LYS 19 OK 43 100 45 96 4.1-6.6 6.4=37, 627/3.8=25...(35) HA THR 25 + HE2 LYS 26 OK 35 84 45 94 2.8-7.9 11150/3.6=55...(12) HA PHE 87 + HE3 LYS 86 OK 28 73 45 87 4.4-7.9 2724/2646=37...(8) HA LYS 36 + HE3 LYS 36 OK 22 93 25 97 4.7-6.5 6.0=45, 3.0/1064=36...(22) HA ALA 16 - HE2 LYS 19 poor 20 100 20 - 3.7-12.6 HA ARG 23 - HE3 LYS 24 poor 18 92 20 - 4.1-9.5 HA LEU 22 - HE3 LYS 24 poor 17 92 45 41 2.1-8.7 401/10757=11...(9) HA ALA 16 - HE3 LYS 19 far 15 100 15 - 4.0-12.0 HA ARG 23 - HE2 LYS 24 far 15 98 15 - 4.5-9.3 HA LEU 22 - HE2 LYS 24 poor 15 99 45 33 3.1-8.8 11967/4.0=10...(8) HA THR 25 - HE3 LYS 24 far 11 75 15 - 4.8-9.1 HA LYS 19 - HE2 LYS 24 far 10 100 10 - 3.8-14.9 HA ARG 23 - HE2 LYS 26 far 10 98 10 - 3.6-11.8 HA ARG 23 - HE2 LYS 31 far 10 98 10 - 4.9-18.7 HA THR 18 - HE3 LYS 19 far 10 97 10 - 4.8-9.2 HA LYS 19 - HE3 LYS 24 far 9 94 10 - 4.4-14.4 HA THR 25 - HE3 LYS 31 far 8 84 10 - 4.9-17.1 HA THR 25 - HE2 LYS 31 far 8 84 10 - 5.1-18.0 HA GLN 27 - HE2 LYS 31 far 7 72 10 - 4.4-14.3 HA ALA 21 - HE3 LYS 24 far 6 64 10 - 4.9-11.8 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 3.8-22.2 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 4.9-21.3 HA LEU 22 - HE2 LYS 31 far 5 99 5 - 4.9-22.6 HA ALA 15 - HE2 LYS 19 far 5 99 5 - 4.2-14.7 HA LYS 31 - HE3 LYS 26 far 5 98 5 - 4.7-17.0 HA ARG 23 - HE3 LYS 26 far 5 96 5 - 3.1-11.4 HA SER 74 - HE2 LYS 19 far 4 89 5 - 5.0-34.2 HA GLN 27 - HE3 LYS 26 far 3 69 5 - 5.4-8.7 HA ALA 28 - HE2 LYS 19 far 3 65 5 - 5.0-20.5 HA ALA 28 - HE2 LYS 26 far 3 64 5 - 4.7-11.0 HA ALA 28 - HE3 LYS 26 far 3 61 5 - 4.8-10.2 HA GLN 27 - HE3 LYS 31 far 0 72 0 - 5.5-14.7 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 5.5-19.0 HA LYS 36 - HE2 LYS 36 far 0 93 0 - 5.6-6.5 HA ALA 15 - HE3 LYS 19 far 0 99 0 - 5.6-14.5 HA ALA 12 - HE2 LYS 19 far 0 93 0 - 5.8-19.1 HA THR 18 - HE2 LYS 24 far 0 97 0 - 5.8-15.2 HA GLN 27 - HE2 LYS 19 far 0 73 0 - 5.9-19.7 HA ALA 12 - HE3 LYS 19 far 0 93 0 - 6.0-19.5 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 6.1-21.9 HA THR 25 - HE2 LYS 24 far 0 84 0 - 6.1-9.0 HA THR 18 - HE2 LYS 19 far 0 97 0 - 6.1-8.5 HA ALA 28 - HE2 LYS 31 far 0 64 0 - 6.2-13.8 HA LYS 31 - HE2 LYS 26 far 0 100 0 - 6.2-16.8 HA GLN 27 - HE3 LYS 19 far 0 73 0 - 6.3-18.5 HA GLN 27 - HE2 LYS 26 far 0 72 0 - 6.3-9.1 HA LEU 22 - HE3 LYS 31 far 0 99 0 - 6.3-24.0 HA ALA 21 - HE2 LYS 24 far 0 72 0 - 6.3-12.4 HA ALA 28 - HE3 LYS 19 far 0 65 0 - 6.3-20.7 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 44 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 89 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 98 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 94 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 89 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 99 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 97 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 99 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 58 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 96 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-13.4 HA ALA 28 - HE3 LYS 31 far 0 64 0 - 7.6-13.7 HA ALA 21 - HE3 LYS 19 far 0 73 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 72 0 - 7.7-18.0 HA ALA 28 - HE2 LYS 24 far 0 64 0 - 7.7-15.7 HA ALA 28 - HE3 LYS 24 far 0 57 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 99 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 94 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 64 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 99 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 91 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 98 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 69 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 97 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 73 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 99 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 94 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 94 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 100 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 72 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 88 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 94 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 79 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 92 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 91 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 92 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 98 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 72 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.7 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 94 94 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 70 70 100 100 1.9-5.1 ~11877=73, ~11243=72...(20) HG3 ARG 90 + HE3 LYS 86 OK 54 71 80 95 2.9-9.3 9651/9655=77...(5) HB2 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 far 13 90 15 - 4.4-10.1 HB2 LYS 24 - HE2 LYS 26 far 10 100 10 - 3.9-12.6 HB2 LYS 31 - HE2 LYS 26 far 10 100 10 - 4.5-15.1 HB2 LYS 31 - HE3 LYS 26 far 10 98 10 - 3.2-14.2 HB2 LYS 24 - HE3 LYS 26 far 10 98 10 - 3.2-10.9 HB2 ARG 23 - HE2 LYS 26 far 10 97 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 10 97 10 - 5.5-19.9 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.6-19.1 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-20.1 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 5 100 5 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 19 far 5 98 5 - 5.8-12.3 HB2 ARG 23 - HE3 LYS 31 far 5 97 5 - 5.6-20.3 HB2 ARG 23 - HE3 LYS 26 far 5 95 5 - 5.4-12.0 HB2 LYS 19 - HE3 LYS 24 far 5 94 5 - 6.2-16.4 HB2 LYS 26 - HE3 LYS 24 far 5 94 5 - 6.0-13.1 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 99 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 99 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 94 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 99 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 97 0 - 9.7-25.4 HB3 LEU 70 - HE2 LYS 19 far 0 60 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 317 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.42 A): 14 out of 74 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 3.5-5.4 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 33 99 35 94 5.1-9.8 10825=32, 10825/1.8=23...(41) HB ILE 32 + HE2 LYS 31 OK 28 99 30 94 5.0-10.0 10825/1.8=31, 10825=27...(35) HB ILE 32 + HE2 LYS 26 OK 25 99 25 100 4.9-16.7 10833/3.0=82, ~10767=47...(30) HB ILE 32 - HE3 LYS 26 far 15 98 15 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 24 far 14 96 15 - 4.3-10.0 HB3 ARG 23 - HE3 LYS 24 far 13 88 15 - 4.8-9.8 HB3 LYS 19 - HE3 LYS 31 far 10 100 10 - 4.9-20.5 HB ILE 32 - HE2 LYS 36 far 10 99 10 - 4.4-10.1 HB3 LYS 24 - HE2 LYS 26 far 10 98 10 - 2.3-11.2 HB3 LYS 24 - HE3 LYS 26 far 10 96 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 9 93 10 - 4.7-12.6 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.1-19.6 HB3 LYS 19 - HE2 LYS 24 far 5 100 5 - 6.3-15.6 HB3 LYS 31 - HE2 LYS 26 far 5 99 5 - 6.0-15.4 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-21.5 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 LYS 26 - HE2 LYS 31 far 5 98 5 - 5.9-13.4 HB3 LYS 31 - HE3 LYS 26 far 5 97 5 - 4.8-15.1 HB3 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.9-13.1 HB2 LYS 36 - HE2 LYS 26 far 5 97 5 - 6.2-21.1 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 31 far 5 96 5 - 5.9-19.8 HB2 LYS 36 - HE3 LYS 26 far 5 94 5 - 6.2-21.3 HB3 LYS 19 - HE3 LYS 24 far 5 94 5 - 5.9-15.4 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 91 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 48 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 93 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 99 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 99 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 52 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 95 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-17.9 HB2 LEU 48 - HE2 LYS 26 far 0 62 0 - 8.5-37.3 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 95 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 93 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 74 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-24.7 HB2 LEU 48 - HE3 LYS 36 far 0 61 0 - 9.6-15.3 HB2 LEU 48 - HE3 LYS 26 far 0 59 0 - 9.7-38.1 HB3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 74 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 76 0 - 10.0-34.6 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 87 assignments used, quality = 1.00: HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 * HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.7-4.1 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-4.1 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 2.0-4.2 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 91 91 100 100 2.1-3.9 3.7=100 QB ALA 16 - HE2 LYS 19 poor 16 81 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 14 97 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 14 97 15 - 3.2-11.4 QB ALA 12 - HE3 LYS 19 far 10 97 10 - 3.8-17.0 QB ALA 12 - HE2 LYS 19 far 10 97 10 - 4.0-16.7 HG2 LYS 24 - HE2 LYS 31 far 5 99 5 - 4.0-21.2 HG2 LYS 24 - HE3 LYS 31 far 5 99 5 - 4.3-21.5 HG2 LYS 24 - HE2 LYS 26 far 5 99 5 - 4.8-12.5 QB ALA 29 - HE2 LYS 26 far 5 98 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 98 5 - 4.7-10.3 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 4.7-11.5 QB ALA 15 - HE2 LYS 31 far 5 96 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 19 far 5 93 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 93 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 31 far 5 92 5 - 4.8-10.9 HG3 LYS 26 - HE3 LYS 24 far 4 88 5 - 4.3-13.1 QB ALA 16 - HE3 LYS 31 far 4 80 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 4 80 5 - 4.9-20.9 QB ALA 16 - HE3 LYS 19 lone 1 81 25 4 4.2-11.0 HG3 LYS 31 - HE3 LYS 26 far 0 88 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 96 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 96 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 89 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 5.3-10.3 QB ALA 21 - HE3 LYS 19 far 0 73 0 - 5.5-8.9 HG3 LYS 26 - HE2 LYS 31 far 0 96 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 92 0 - 5.7-10.5 QB ALA 21 - HE3 LYS 24 far 0 64 0 - 5.7-11.2 HG3 LYS 26 - HE2 LYS 24 far 0 96 0 - 5.9-12.5 QB ALA 21 - HE2 LYS 24 far 0 72 0 - 5.9-11.2 HB2 LEU 42 - HE3 LYS 36 far 0 99 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 92 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 92 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 97 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 91 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 91 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.6-12.6 QB ALA 21 - HE2 LYS 19 far 0 73 0 - 6.7-9.5 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 6.8-17.3 QB ALA 21 - HE3 LYS 31 far 0 72 0 - 6.9-21.1 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 91 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 92 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 94 0 - 7.1-23.8 QB ALA 21 - HE2 LYS 26 far 0 72 0 - 7.2-16.5 QB ALA 12 - HE3 LYS 31 far 0 96 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 80 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 82 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 94 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 96 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 88 0 - 7.9-20.7 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 8.0-20.1 QB ALA 21 - HE3 LYS 26 far 0 69 0 - 8.0-15.1 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 71 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 96 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 96 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 90 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 90 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 95 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 93 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 319 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 4.67 A): 13 out of 62 assignments used, quality = 1.00: * HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.3-4.2 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.1-4.0 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 2.0-4.2 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.5-3.9 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 2.4-3.1 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 30 97 35 89 2.7-10.2 10757/6.5=25...(35) HG13 ILE 32 + HE3 LYS 31 OK 26 97 30 89 3.5-9.5 10757/6.5=25...(27) HG13 ILE 32 - HE2 LYS 26 poor 19 97 20 - 3.8-14.7 QB ALA 34 - HE3 LYS 26 poor 18 72 25 - 2.6-18.8 HG13 ILE 32 - HE3 LYS 26 far 14 95 15 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 5 97 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 94 5 - 4.4-11.8 QB ALA 34 - HE2 LYS 26 lone 4 75 35 17 3.0-18.9 908/10757=14, 6364/876=2 HG2 LYS 31 - HE3 LYS 26 far 4 81 5 - 4.3-16.8 QB ALA 34 - HE3 LYS 19 far 4 76 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 76 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 4 75 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 31 far 4 75 5 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 76 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 92 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 97 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 74 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 97 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 84 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 74 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 84 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 85 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 80 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 75 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 83 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 90 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 97 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 83 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 85 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 70 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 98 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.8-20.6 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 102 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HG LEU 22 - HE3 LYS 24 poor 13 52 25 - 2.2-10.4 HG LEU 22 - HE2 LYS 24 poor 12 59 20 - 2.1-10.1 HD3 LYS 26 - HE2 LYS 24 far 5 95 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 4 90 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 4 87 5 - 3.7-14.5 HG LEU 22 - HE3 LYS 31 far 3 59 5 - 4.9-25.8 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HG LEU 22 - HE2 LYS 31 far 0 59 0 - 5.4-24.4 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 93 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 93 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 97 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 91 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 93 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 96 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 95 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 64 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HG LEU 22 - HE2 LYS 26 far 0 59 0 - 7.5-17.2 HG LEU 22 - HE3 LYS 26 far 0 56 0 - 7.5-16.6 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 96 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HG LEU 22 - HE3 LYS 19 far 0 60 0 - 8.4-14.5 HD3 LYS 26 - HE3 LYS 19 far 0 96 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 96 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 96 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 98 0 - 9.2-14.8 HG LEU 22 - HE2 LYS 19 far 0 60 0 - 9.2-14.7 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 98 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 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 110 assignments used, quality = 1.00: * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 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 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.4-3.0 3.0=100 HG LEU 22 - HE3 LYS 24 poor 14 57 25 - 2.2-10.4 HG LEU 22 - HE2 LYS 24 poor 13 64 20 - 2.1-10.1 HD3 LYS 26 - HE2 LYS 24 far 5 92 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 4 88 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HG LEU 22 - HE3 LYS 31 far 3 64 5 - 4.9-25.8 HG3 ARG 23 - HE2 LYS 26 far 3 62 5 - 2.6-14.6 HG3 ARG 23 - HE2 LYS 24 far 3 62 5 - 3.6-11.2 HG3 ARG 23 - HE2 LYS 31 far 3 62 5 - 4.4-22.5 HG3 ARG 23 - HE3 LYS 26 far 3 59 5 - 4.1-12.9 HG3 ARG 23 - HE3 LYS 24 far 3 54 5 - 4.2-10.4 HD3 LYS 24 - HE3 LYS 31 far 0 99 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 5.1-11.5 HG LEU 22 - HE2 LYS 31 far 0 64 0 - 5.4-24.4 HD2 LYS 36 - HE2 LYS 26 far 0 92 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 89 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 91 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.6-12.9 HG3 ARG 23 - HE3 LYS 31 far 0 62 0 - 5.7-21.0 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 94 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 94 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 89 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 92 0 - 6.2-16.5 HG3 ARG 23 - HE3 LYS 19 far 0 63 0 - 6.2-14.7 HD2 LYS 31 - HE3 LYS 24 far 0 92 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 96 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 92 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.5-22.4 HG LEU 22 - HE2 LYS 26 far 0 64 0 - 7.5-17.2 HG LEU 22 - HE3 LYS 26 far 0 61 0 - 7.5-16.6 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 97 0 - 7.8-17.1 HG3 ARG 23 - HE2 LYS 19 far 0 63 0 - 7.8-15.0 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 95 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 93 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 93 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HG LEU 22 - HE3 LYS 19 far 0 65 0 - 8.4-14.5 HD3 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 95 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 95 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 92 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 93 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 9.2-14.8 HG LEU 22 - HE2 LYS 19 far 0 65 0 - 9.2-14.7 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 92 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 322 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 * HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 73 73 - 100 Peak 323 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 73 73 - 100 Reference assignment not found: HE3 LYS 19 - HE2 LYS 19 Peak 326 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 4.56 A): 10 out of 106 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 81 100 85 96 2.0-6.1 6.5=35, 822/3.7=29...(27) * HA LYS 19 + HE3 LYS 19 OK 76 100 80 95 4.2-6.1 6.4=37, 627/3.8=25...(35) HA THR 25 + HE3 LYS 26 OK 72 81 95 94 3.2-7.5 9587=56, 11150/3.6=55...(12) HA LYS 26 + HE3 LYS 26 OK 71 98 80 91 3.2-6.0 6.6=33, 627/3.6=27...(23) HA LYS 26 + HE2 LYS 26 OK 64 100 70 92 2.8-6.5 6.6=33, 627/3.6=27...(23) HA LYS 31 + HE3 LYS 31 OK 57 100 60 96 2.6-6.0 6.5=35, 822/3.7=29...(27) HA LYS 19 + HE2 LYS 19 OK 43 100 45 96 4.1-6.6 6.4=37, 627/3.8=25...(35) HA THR 25 + HE2 LYS 26 OK 35 84 45 94 2.8-7.9 11150/3.6=55...(12) HA PHE 87 + HE3 LYS 86 OK 28 73 45 87 4.4-7.9 2724/2646=37...(8) HA LYS 36 + HE3 LYS 36 OK 22 93 25 97 4.7-6.5 6.0=45, 3.0/1064=36...(22) HA ALA 16 - HE2 LYS 19 poor 20 100 20 - 3.7-12.6 HA ARG 23 - HE3 LYS 24 poor 18 92 20 - 4.1-9.5 HA LEU 22 - HE3 LYS 24 poor 17 92 45 41 2.1-8.7 401/10757=11...(9) HA ALA 16 - HE3 LYS 19 far 15 100 15 - 4.0-12.0 HA ARG 23 - HE2 LYS 24 far 15 98 15 - 4.5-9.3 HA LEU 22 - HE2 LYS 24 poor 15 99 45 33 3.1-8.8 11967/4.0=10...(8) HA THR 25 - HE3 LYS 24 far 11 75 15 - 4.8-9.1 HA LYS 19 - HE2 LYS 24 far 10 100 10 - 3.8-14.9 HA ARG 23 - HE2 LYS 26 far 10 98 10 - 3.6-11.8 HA ARG 23 - HE2 LYS 31 far 10 98 10 - 4.9-18.7 HA THR 18 - HE3 LYS 19 far 10 97 10 - 4.8-9.2 HA LYS 19 - HE3 LYS 24 far 9 94 10 - 4.4-14.4 HA THR 25 - HE3 LYS 31 far 8 84 10 - 4.9-17.1 HA THR 25 - HE2 LYS 31 far 8 84 10 - 5.1-18.0 HA GLN 27 - HE2 LYS 31 far 7 72 10 - 4.4-14.3 HA ALA 21 - HE3 LYS 24 far 6 64 10 - 4.9-11.8 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 3.8-22.2 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 4.9-21.3 HA LEU 22 - HE2 LYS 31 far 5 99 5 - 4.9-22.6 HA ALA 15 - HE2 LYS 19 far 5 99 5 - 4.2-14.7 HA LYS 31 - HE3 LYS 26 far 5 98 5 - 4.7-17.0 HA ARG 23 - HE3 LYS 26 far 5 96 5 - 3.1-11.4 HA SER 74 - HE2 LYS 19 far 4 89 5 - 5.0-34.2 HA GLN 27 - HE3 LYS 26 far 3 69 5 - 5.4-8.7 HA ALA 28 - HE2 LYS 19 far 3 65 5 - 5.0-20.5 HA ALA 28 - HE2 LYS 26 far 3 64 5 - 4.7-11.0 HA ALA 28 - HE3 LYS 26 far 3 61 5 - 4.8-10.2 HA GLN 27 - HE3 LYS 31 far 0 72 0 - 5.5-14.7 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 5.5-19.0 HA LYS 36 - HE2 LYS 36 far 0 93 0 - 5.6-6.5 HA ALA 15 - HE3 LYS 19 far 0 99 0 - 5.6-14.5 HA ALA 12 - HE2 LYS 19 far 0 93 0 - 5.8-19.1 HA THR 18 - HE2 LYS 24 far 0 97 0 - 5.8-15.2 HA GLN 27 - HE2 LYS 19 far 0 73 0 - 5.9-19.7 HA ALA 12 - HE3 LYS 19 far 0 93 0 - 6.0-19.5 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 6.1-21.9 HA THR 25 - HE2 LYS 24 far 0 84 0 - 6.1-9.0 HA THR 18 - HE2 LYS 19 far 0 97 0 - 6.1-8.5 HA ALA 28 - HE2 LYS 31 far 0 64 0 - 6.2-13.8 HA LYS 31 - HE2 LYS 26 far 0 100 0 - 6.2-16.8 HA GLN 27 - HE3 LYS 19 far 0 73 0 - 6.3-18.5 HA GLN 27 - HE2 LYS 26 far 0 72 0 - 6.3-9.1 HA LEU 22 - HE3 LYS 31 far 0 99 0 - 6.3-24.0 HA ALA 21 - HE2 LYS 24 far 0 72 0 - 6.3-12.4 HA ALA 28 - HE3 LYS 19 far 0 65 0 - 6.3-20.7 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 44 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 89 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 98 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 94 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 89 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 99 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 97 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 99 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 58 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 96 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-13.4 HA ALA 28 - HE3 LYS 31 far 0 64 0 - 7.6-13.7 HA ALA 21 - HE3 LYS 19 far 0 73 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 72 0 - 7.7-18.0 HA ALA 28 - HE2 LYS 24 far 0 64 0 - 7.7-15.7 HA ALA 28 - HE3 LYS 24 far 0 57 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 99 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 94 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 64 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 99 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 91 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 98 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 69 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 97 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 73 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 99 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 94 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 94 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 100 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 72 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 88 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 94 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 79 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 92 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 91 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 92 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 98 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 72 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.7 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 94 94 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 70 70 100 100 1.9-5.1 ~11877=73, ~11243=72...(20) HG3 ARG 90 + HE3 LYS 86 OK 54 71 80 95 2.9-9.3 9651/9655=77...(5) HB2 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 far 13 90 15 - 4.4-10.1 HB2 LYS 24 - HE2 LYS 26 far 10 100 10 - 3.9-12.6 HB2 LYS 31 - HE2 LYS 26 far 10 100 10 - 4.5-15.1 HB2 LYS 31 - HE3 LYS 26 far 10 98 10 - 3.2-14.2 HB2 LYS 24 - HE3 LYS 26 far 10 98 10 - 3.2-10.9 HB2 ARG 23 - HE2 LYS 26 far 10 97 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 10 97 10 - 5.5-19.9 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.6-19.1 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-20.1 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 5 100 5 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 19 far 5 98 5 - 5.8-12.3 HB2 ARG 23 - HE3 LYS 31 far 5 97 5 - 5.6-20.3 HB2 ARG 23 - HE3 LYS 26 far 5 95 5 - 5.4-12.0 HB2 LYS 19 - HE3 LYS 24 far 5 94 5 - 6.2-16.4 HB2 LYS 26 - HE3 LYS 24 far 5 94 5 - 6.0-13.1 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 99 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 99 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 94 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 99 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 97 0 - 9.7-25.4 HB3 LEU 70 - HE2 LYS 19 far 0 60 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 328 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.42 A): 14 out of 74 assignments used, quality = 1.00: HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-5.4 5.1=100 * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 3.5-5.4 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 33 99 35 94 5.1-9.8 10825=32, 10825/1.8=23...(41) HB ILE 32 + HE2 LYS 31 OK 28 99 30 94 5.0-10.0 10825/1.8=31, 10825=27...(35) HB ILE 32 + HE2 LYS 26 OK 25 99 25 100 4.9-16.7 10833/3.0=82, ~10767=47...(30) HB ILE 32 - HE3 LYS 26 far 15 98 15 - 4.6-16.1 HB3 ARG 23 - HE2 LYS 24 far 14 96 15 - 4.3-10.0 HB3 ARG 23 - HE3 LYS 24 far 13 88 15 - 4.8-9.8 HB3 LYS 19 - HE3 LYS 31 far 10 100 10 - 4.9-20.5 HB ILE 32 - HE2 LYS 36 far 10 99 10 - 4.4-10.1 HB3 LYS 24 - HE2 LYS 26 far 10 98 10 - 2.3-11.2 HB3 LYS 24 - HE3 LYS 26 far 10 96 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 3.1-12.7 HB3 ARG 23 - HE3 LYS 26 far 9 93 10 - 4.7-12.6 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.1-19.6 HB3 LYS 19 - HE2 LYS 24 far 5 100 5 - 6.3-15.6 HB3 LYS 31 - HE2 LYS 26 far 5 99 5 - 6.0-15.4 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-21.5 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 LYS 26 - HE2 LYS 31 far 5 98 5 - 5.9-13.4 HB3 LYS 31 - HE3 LYS 26 far 5 97 5 - 4.8-15.1 HB3 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.9-13.1 HB2 LYS 36 - HE2 LYS 26 far 5 97 5 - 6.2-21.1 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 31 far 5 96 5 - 5.9-19.8 HB2 LYS 36 - HE3 LYS 26 far 5 94 5 - 6.2-21.3 HB3 LYS 19 - HE3 LYS 24 far 5 94 5 - 5.9-15.4 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 91 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 48 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 93 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 99 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 99 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 52 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 95 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-17.9 HB2 LEU 48 - HE2 LYS 26 far 0 62 0 - 8.5-37.3 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 95 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 93 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 74 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-24.7 HB2 LEU 48 - HE3 LYS 36 far 0 61 0 - 9.6-15.3 HB2 LEU 48 - HE3 LYS 26 far 0 59 0 - 9.7-38.1 HB3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 74 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 76 0 - 10.0-34.6 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 87 assignments used, quality = 1.00: * HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.7-4.1 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-4.1 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 2.0-4.2 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 91 91 100 100 2.1-3.9 3.7=100 QB ALA 16 - HE2 LYS 19 poor 16 81 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 14 97 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 14 97 15 - 3.2-11.4 QB ALA 12 - HE3 LYS 19 far 10 97 10 - 3.8-17.0 QB ALA 12 - HE2 LYS 19 far 10 97 10 - 4.0-16.7 HG2 LYS 24 - HE2 LYS 31 far 5 99 5 - 4.0-21.2 HG2 LYS 24 - HE3 LYS 31 far 5 99 5 - 4.3-21.5 HG2 LYS 24 - HE2 LYS 26 far 5 99 5 - 4.8-12.5 QB ALA 29 - HE2 LYS 26 far 5 98 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 98 5 - 4.7-10.3 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 4.7-11.5 QB ALA 15 - HE2 LYS 31 far 5 96 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 19 far 5 93 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 93 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 31 far 5 92 5 - 4.8-10.9 HG3 LYS 26 - HE3 LYS 24 far 4 88 5 - 4.3-13.1 QB ALA 16 - HE3 LYS 31 far 4 80 5 - 4.7-22.0 QB ALA 16 - HE2 LYS 31 far 4 80 5 - 4.9-20.9 QB ALA 16 - HE3 LYS 19 lone 1 81 25 4 4.2-11.0 HG3 LYS 31 - HE3 LYS 26 far 0 88 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 96 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 96 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 89 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 5.3-10.3 QB ALA 21 - HE3 LYS 19 far 0 73 0 - 5.5-8.9 HG3 LYS 26 - HE2 LYS 31 far 0 96 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 92 0 - 5.7-10.5 QB ALA 21 - HE3 LYS 24 far 0 64 0 - 5.7-11.2 HG3 LYS 26 - HE2 LYS 24 far 0 96 0 - 5.9-12.5 QB ALA 21 - HE2 LYS 24 far 0 72 0 - 5.9-11.2 HB2 LEU 42 - HE3 LYS 36 far 0 99 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 92 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 92 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 97 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 91 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 91 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.6-12.6 QB ALA 21 - HE2 LYS 19 far 0 73 0 - 6.7-9.5 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 6.8-17.3 QB ALA 21 - HE3 LYS 31 far 0 72 0 - 6.9-21.1 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 91 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 92 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 94 0 - 7.1-23.8 QB ALA 21 - HE2 LYS 26 far 0 72 0 - 7.2-16.5 QB ALA 12 - HE3 LYS 31 far 0 96 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 80 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 82 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 94 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 96 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 88 0 - 7.9-20.7 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 8.0-20.1 QB ALA 21 - HE3 LYS 26 far 0 69 0 - 8.0-15.1 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 71 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 96 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 96 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 90 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 90 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 95 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 93 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 330 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 4.67 A): 13 out of 62 assignments used, quality = 1.00: HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.3-4.2 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.1-4.0 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 2.0-4.2 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.5-3.9 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 2.4-3.1 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 30 97 35 89 2.7-10.2 10757/6.5=25...(35) HG13 ILE 32 + HE3 LYS 31 OK 26 97 30 89 3.5-9.5 10757/6.5=25...(27) HG13 ILE 32 - HE2 LYS 26 poor 19 97 20 - 3.8-14.7 QB ALA 34 - HE3 LYS 26 poor 18 72 25 - 2.6-18.8 HG13 ILE 32 - HE3 LYS 26 far 14 95 15 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 5 97 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 94 5 - 4.4-11.8 QB ALA 34 - HE2 LYS 26 lone 4 75 35 17 3.0-18.9 908/10757=14, 6364/876=2 HG2 LYS 31 - HE3 LYS 26 far 4 81 5 - 4.3-16.8 QB ALA 34 - HE3 LYS 19 far 4 76 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 76 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 4 75 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 31 far 4 75 5 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 76 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 92 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 97 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 74 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 97 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 84 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 74 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 84 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 85 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 80 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 75 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 83 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 90 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 97 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 83 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 85 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 70 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 98 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.8-20.6 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 102 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HG LEU 22 - HE3 LYS 24 poor 13 52 25 - 2.2-10.4 HG LEU 22 - HE2 LYS 24 poor 12 59 20 - 2.1-10.1 HD3 LYS 26 - HE2 LYS 24 far 5 95 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 4 90 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 4 87 5 - 3.7-14.5 HG LEU 22 - HE3 LYS 31 far 3 59 5 - 4.9-25.8 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HG LEU 22 - HE2 LYS 31 far 0 59 0 - 5.4-24.4 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 93 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 93 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 97 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 91 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 93 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 96 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 95 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 64 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HG LEU 22 - HE2 LYS 26 far 0 59 0 - 7.5-17.2 HG LEU 22 - HE3 LYS 26 far 0 56 0 - 7.5-16.6 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 96 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HG LEU 22 - HE3 LYS 19 far 0 60 0 - 8.4-14.5 HD3 LYS 26 - HE3 LYS 19 far 0 96 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 96 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 96 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 98 0 - 9.2-14.8 HG LEU 22 - HE2 LYS 19 far 0 60 0 - 9.2-14.7 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 98 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 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 110 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 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 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.4-3.0 3.0=100 HG LEU 22 - HE3 LYS 24 poor 14 57 25 - 2.2-10.4 HG LEU 22 - HE2 LYS 24 poor 13 64 20 - 2.1-10.1 HD3 LYS 26 - HE2 LYS 24 far 5 92 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 4 88 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HG LEU 22 - HE3 LYS 31 far 3 64 5 - 4.9-25.8 HG3 ARG 23 - HE2 LYS 26 far 3 62 5 - 2.6-14.6 HG3 ARG 23 - HE2 LYS 24 far 3 62 5 - 3.6-11.2 HG3 ARG 23 - HE2 LYS 31 far 3 62 5 - 4.4-22.5 HG3 ARG 23 - HE3 LYS 26 far 3 59 5 - 4.1-12.9 HG3 ARG 23 - HE3 LYS 24 far 3 54 5 - 4.2-10.4 HD3 LYS 24 - HE3 LYS 31 far 0 99 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 5.1-11.5 HG LEU 22 - HE2 LYS 31 far 0 64 0 - 5.4-24.4 HD2 LYS 36 - HE2 LYS 26 far 0 92 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 89 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 91 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.6-12.9 HG3 ARG 23 - HE3 LYS 31 far 0 62 0 - 5.7-21.0 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 94 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 94 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 89 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 92 0 - 6.2-16.5 HG3 ARG 23 - HE3 LYS 19 far 0 63 0 - 6.2-14.7 HD2 LYS 31 - HE3 LYS 24 far 0 92 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 96 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 92 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.5-22.4 HG LEU 22 - HE2 LYS 26 far 0 64 0 - 7.5-17.2 HG LEU 22 - HE3 LYS 26 far 0 61 0 - 7.5-16.6 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 97 0 - 7.8-17.1 HG3 ARG 23 - HE2 LYS 19 far 0 63 0 - 7.8-15.0 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 95 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 93 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 93 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HG LEU 22 - HE3 LYS 19 far 0 65 0 - 8.4-14.5 HD3 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 95 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 95 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 92 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 93 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 9.2-14.8 HG LEU 22 - HE2 LYS 19 far 0 65 0 - 9.2-14.7 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 92 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 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 13 assignments used, quality = 1.00: * HB VAL 20 + HA VAL 20 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 53 + HA SER 50 OK 89 92 100 96 2.2-4.7 3.1/9218=51, 1653=49...(12) QE MET 11 - HA VAL 20 far 3 65 5 - 3.9-21.1 HB3 MET 11 - HA VAL 20 far 0 96 0 - 6.6-22.1 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.6-8.2 HB2 GLU 55 - HB3 SER 51 far 0 69 0 - 7.0-8.8 HB3 GLU 30 - HA VAL 20 far 0 97 0 - 7.2-18.7 HB2 GLU 55 - HA SER 50 far 0 90 0 - 8.9-10.6 HB3 LEU 53 - HB2 SER 124 far 0 98 0 - 9.0-10.8 HB3 PRO 117 - HB2 SER 124 far 0 98 0 - 9.1-11.2 HB ILE 129 - HA SER 50 far 0 94 0 - 9.2-11.4 HB ILE 129 - HB2 SER 124 far 0 99 0 - 9.4-10.8 HB2 GLU 44 - HB3 SER 51 far 0 49 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 339 from aliabs.peaks (0.91, 3.99, 62.40 ppm; 3.26 A): 5 out of 24 assignments used, quality = 1.00: * QG1 VAL 20 + HA VAL 20 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 VAL 20 + HA VAL 20 OK 92 92 100 100 2.1-3.2 3.2=100 QD1 LEU 123 + HA SER 50 OK 75 80 95 98 1.9-4.2 11772=82, 2.1/11636=54...(20) QD2 LEU 123 + HA SER 50 OK 57 60 100 96 1.8-4.2 2.1/11772=65, 11636=40...(21) QD1 LEU 49 + HA SER 50 OK 29 94 35 87 2.5-6.0 6622/2.9=17, 1581/4.8=17...(23) QD2 LEU 48 - HB3 SER 51 poor 20 65 30 - 3.3-5.6 QD1 LEU 123 - HB2 SER 124 far 0 86 0 - 4.3-5.4 QD1 LEU 22 - HA VAL 20 far 0 81 0 - 4.8-7.1 QD1 LEU 48 - HB3 SER 51 far 0 74 0 - 5.1-7.0 QD2 LEU 123 - HB2 SER 124 far 0 66 0 - 5.7-6.9 QD2 LEU 123 - HB3 SER 51 far 0 43 0 - 6.0-8.4 QD1 LEU 48 - HA SER 50 far 0 95 0 - 6.1-8.7 QD1 LEU 123 - HB3 SER 51 far 0 59 0 - 6.2-8.7 QD1 LEU 49 - HB3 SER 51 far 0 73 0 - 6.2-8.2 QD2 LEU 48 - HA SER 50 far 0 86 0 - 6.3-7.1 QD1 LEU 62 - HA SER 50 far 0 94 0 - 6.5-9.0 QD1 LEU 49 - HB2 SER 124 far 0 99 0 - 7.0-10.7 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 7.7-9.4 QD2 LEU 98 - HB2 SER 124 far 0 66 0 - 7.7-10.6 QD1 LEU 119 - HA SER 50 far 0 50 0 - 8.2-10.3 QG1 VAL 118 - HA SER 50 far 0 83 0 - 8.6-10.8 QD1 LEU 62 - HB3 SER 51 far 0 73 0 - 8.6-10.9 QD1 LEU 62 - HB2 SER 124 far 0 99 0 - 9.5-12.6 QD1 LEU 119 - HB3 SER 51 far 0 35 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 340 from aliabs.peaks (0.89, 3.99, 62.40 ppm; 3.26 A): 4 out of 22 assignments used, quality = 1.00: * QG2 VAL 20 + HA VAL 20 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 20 + HA VAL 20 OK 92 92 100 100 2.3-3.2 3.2=100 QD2 LEU 123 + HA SER 50 OK 87 89 100 98 1.8-4.2 11636=69, 2.1/11772=65...(23) QD1 LEU 49 + HA SER 50 OK 23 76 35 85 2.5-6.0 ~6619=15, ~6620=15...(22) QD2 LEU 48 - HB3 SER 51 poor 15 74 30 68 3.3-5.6 10961/1.8=43...(5) QD1 LEU 22 - HA VAL 20 far 0 99 0 - 4.8-7.1 QD1 LEU 48 - HB3 SER 51 far 0 61 0 - 5.1-7.0 QD2 LEU 123 - HB2 SER 124 far 0 95 0 - 5.7-6.9 QD2 LEU 69 - HA SER 50 far 0 57 0 - 6.0-8.0 QD2 LEU 123 - HB3 SER 51 far 0 68 0 - 6.0-8.4 QD1 LEU 48 - HA SER 50 far 0 82 0 - 6.1-8.7 QD1 LEU 49 - HB3 SER 51 far 0 56 0 - 6.2-8.2 QD2 LEU 48 - HA SER 50 far 0 94 0 - 6.3-7.1 QD1 LEU 62 - HA SER 50 far 0 74 0 - 6.5-9.0 QD1 LEU 49 - HB2 SER 124 far 0 83 0 - 7.0-10.7 QG1 VAL 118 - HB2 SER 124 far 0 99 0 - 7.7-9.4 QD2 LEU 98 - HB2 SER 124 far 0 95 0 - 7.7-10.6 QD2 LEU 69 - HB3 SER 51 far 0 41 0 - 8.4-9.8 QG1 VAL 118 - HA SER 50 far 0 95 0 - 8.6-10.8 QD1 LEU 62 - HB3 SER 51 far 0 54 0 - 8.6-10.9 QD2 LEU 69 - HB2 SER 124 far 0 63 0 - 9.2-11.2 QD1 LEU 62 - HB2 SER 124 far 0 81 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 341 from aliabs.peaks (8.31, 3.99, 62.40 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 21 + HA VAL 20 OK 100 100 100 100 3.0-3.6 3.6=100 H LEU 49 + HA SER 50 OK 76 88 100 87 5.1-5.4 6610/3.6=60, 6593/3.0=30...(9) H LEU 49 - HB3 SER 51 poor 13 66 20 - 5.5-6.4 H SER 99 - HB2 SER 124 far 0 78 0 - 8.9-11.3 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 4 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 20 - HB3 MET 11 far 0 46 0 - 6.6-22.1 HA GLN 68 - HB3 MET 11 far 0 41 0 - 9.5-41.3 HB2 SER 38 - HB2 PRO 81 far 0 26 0 - 9.8-13.3 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 6 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 - 4.1-17.5 QD1 LEU 22 - HB VAL 20 far 0 81 0 - 4.3-8.7 QG2 VAL 20 - HB3 MET 11 far 0 38 0 - 5.8-18.9 QG2 VAL 63 - HB3 MET 11 far 0 46 0 - 8.3-39.9 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 6 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 - 4.1-17.5 QD1 LEU 22 - HB VAL 20 far 0 99 0 - 4.3-8.7 QG2 VAL 20 - HB3 MET 11 far 0 46 0 - 5.8-18.9 QG2 VAL 63 - HB3 MET 11 far 0 36 0 - 8.3-39.9 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 5 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.3-3.2 3.2=97, 3.0/348=49...(11) HA VAL 20 + QG2 VAL 20 OK 56 56 100 100 2.1-3.2 3.2=97, 6176/4.3=34...(10) HA ILE 37 - QG2 VAL 20 far 0 25 0 - 9.5-24.1 HA GLN 68 - QG2 VAL 20 far 0 50 0 - 9.6-26.8 HA ILE 37 - QG1 VAL 20 far 0 57 0 - 9.9-23.7 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 9 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 QE MET 11 - QG1 VAL 20 far 3 65 5 - 2.8-17.1 QE MET 11 - QG2 VAL 20 far 1 30 5 - 2.3-17.9 HB3 MET 11 - QG1 VAL 20 far 0 96 0 - 4.1-17.5 HB3 MET 11 - QG2 VAL 20 far 0 50 0 - 5.8-18.9 HB3 GLU 30 - QG2 VAL 20 far 0 51 0 - 5.9-17.8 HB3 GLU 30 - QG1 VAL 20 far 0 97 0 - 6.2-17.6 HG2 ARG 90 - QG1 VAL 20 far 0 78 0 - 9.8-33.8 Violated in 0 structures by 0.00 A. Peak 351 from aliabs.peaks (0.91, 0.91, 20.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 20 + QG1 VAL 20 OK 100 100 - 100 QG2 VAL 20 + QG2 VAL 20 OK 46 46 - 100 Peak 352 from aliabs.peaks (0.89, 0.91, 20.56 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QG1 VAL 20 + QG1 VAL 20 OK 92 92 - 100 QG2 VAL 20 + QG2 VAL 20 OK 56 56 - 100 Reference assignment not found: QG2 VAL 20 - QG1 VAL 20 Peak 355 from aliabs.peaks (3.99, 0.89, 20.84 ppm; 3.32 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-3.2 3.2=100 HA VAL 20 + QG1 VAL 20 OK 56 56 100 100 2.3-3.2 3.2=100 HA ILE 37 - QG2 VAL 20 far 0 57 0 - 9.5-24.1 HA GLN 68 - QG2 VAL 20 far 0 96 0 - 9.6-26.8 HA ILE 37 - QG1 VAL 20 far 0 25 0 - 9.9-23.7 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 9 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 QE MET 11 - QG2 VAL 20 far 3 65 5 - 2.3-17.9 QE MET 11 - QG1 VAL 20 far 1 30 5 - 2.8-17.1 HB3 MET 11 - QG1 VAL 20 far 0 50 0 - 4.1-17.5 HB3 MET 11 - QG2 VAL 20 far 0 96 0 - 5.8-18.9 HB3 GLU 30 - QG2 VAL 20 far 0 97 0 - 5.9-17.8 HB3 GLU 30 - QG1 VAL 20 far 0 51 0 - 6.2-17.6 HG2 ARG 90 - QG1 VAL 20 far 0 37 0 - 9.8-33.8 Violated in 0 structures by 0.00 A. Peak 357 from aliabs.peaks (0.91, 0.89, 20.84 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QG2 VAL 20 + QG2 VAL 20 OK 92 92 - 100 QG1 VAL 20 + QG1 VAL 20 OK 56 56 - 100 Reference assignment not found: QG1 VAL 20 - QG2 VAL 20 Peak 358 from aliabs.peaks (0.89, 0.89, 20.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 20 + QG2 VAL 20 OK 100 100 - 100 QG1 VAL 20 + QG1 VAL 20 OK 46 46 - 100 Peak 361 from aliabs.peaks (4.29, 4.29, 52.41 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 21 + HA ALA 21 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 82 82 - 100 HA ALA 15 + HA ALA 15 OK 60 60 - 100 HA ALA 110 + HA ALA 110 OK 58 58 - 100 HA ALA 109 + HA ALA 109 OK 50 50 - 100 HA ALA 16 + HA ALA 16 OK 40 40 - 100 HA ALA 108 + HA ALA 108 OK 29 29 - 100 Peak 362 from aliabs.peaks (1.35, 4.29, 52.41 ppm; 2.50 A): 2 out of 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 19 - HA ALA 16 far 3 33 10 - 2.8-8.6 QB ALA 21 - HA ALA 16 far 0 55 0 - 4.7-8.5 QB ALA 12 - HA ALA 15 far 0 65 0 - 4.9-9.6 HG2 LYS 19 - HA ALA 21 far 0 73 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 57 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 46 0 - 6.3-11.0 HG2 LYS 19 - HA ALA 12 far 0 58 0 - 6.7-20.0 QB ALA 21 - HA ALA 15 far 0 73 0 - 7.0-11.8 QB ALA 12 - HA ALA 16 far 0 47 0 - 7.0-12.2 QB ALA 21 - HA ALA 12 far 0 87 0 - 8.8-17.6 QB ALA 12 - HA ALA 21 far 0 95 0 - 10.0-18.9 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 18 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 25 93 85 31 1.8-5.6 10686=9, 3.0/10670=9...(5) HA LEU 22 - QB ALA 21 far 0 57 0 - 4.3-4.4 HA LYS 19 - QB ALA 21 far 0 73 0 - 4.5-6.0 HA ALA 16 - QB ALA 21 far 0 85 0 - 4.7-8.5 HA ALA 15 - QB ALA 12 far 0 68 0 - 4.9-9.6 HA ARG 23 - QB ALA 21 far 0 89 0 - 6.2-7.0 HA THR 18 - QB ALA 12 far 0 71 0 - 6.4-15.6 HA LYS 19 - QB ALA 12 far 0 53 0 - 6.7-17.3 HA ALA 15 - QB ALA 21 far 0 90 0 - 7.0-11.8 HA ALA 16 - QB ALA 12 far 0 63 0 - 7.0-12.2 HA LYS 31 - QB ALA 21 far 0 71 0 - 7.3-20.0 HA ALA 12 - QB ALA 21 far 0 97 0 - 8.8-17.6 HA THR 25 - QB ALA 21 far 0 100 0 - 8.9-11.5 HA LYS 26 - QB ALA 21 far 0 65 0 - 9.0-12.4 HA LYS 31 - QB ALA 12 far 0 51 0 - 9.8-28.1 HA ALA 21 - QB ALA 12 far 0 82 0 - 10.0-18.9 Violated in 0 structures by 0.00 A. Peak 366 from aliabs.peaks (1.35, 1.35, 18.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 21 + QB ALA 21 OK 100 100 - 100 QB ALA 12 + QB ALA 12 OK 73 73 - 100 Peak 369 from aliabs.peaks (4.26, 4.26, 54.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 22 + HA LEU 22 OK 100 100 - 100 Peak 370 from aliabs.peaks (1.54, 4.26, 54.88 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + HA LEU 22 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 ARG 23 + HA LEU 22 OK 36 85 55 76 3.9-6.7 6205/375=58, 444=19...(10) 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 2.3-2.9 2.9=100 HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.3 4.3=97, 2.1/401=95...(22) HG3 ARG 23 - HA LEU 22 poor 20 100 20 - 4.4-6.9 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 4 assignments used, quality = 1.00: * HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.3 4.3=96, 2.1/401=95...(22) HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.3-2.9 2.9=100 HG3 ARG 23 - HA LEU 22 poor 20 100 20 - 4.4-6.9 HD2 LYS 19 - HA LEU 22 far 0 60 0 - 9.9-12.2 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 2 assignments used, quality = 1.00: * QD2 LEU 22 + HA LEU 22 OK 100 100 100 100 1.8-3.4 401=100, 2.1/409=82...(21) QG2 ILE 32 - HA LEU 22 far 0 100 0 - 6.0-19.9 Violated in 0 structures by 0.00 A. Peak 374 from aliabs.peaks (0.89, 4.26, 54.88 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 22 + HA LEU 22 OK 100 100 100 100 1.9-4.0 4.0=100 QG2 VAL 20 - HA LEU 22 poor 20 99 20 - 4.0-6.8 QG1 VAL 20 - HA LEU 22 far 0 81 0 - 5.9-7.6 QD1 LEU 48 - HA LEU 22 far 0 78 0 - 9.4-31.9 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 14 assignments used, quality = 1.00: * HA LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.6-3.0 2.9=100 HA LYS 31 - HB2 LEU 22 far 5 100 5 - 4.2-22.1 HA ARG 23 - HB2 LEU 22 far 0 95 0 - 4.3-5.1 HA THR 18 - HB2 LEU 22 far 0 90 0 - 4.5-10.7 HA GLN 27 - HB2 LEU 22 far 0 87 0 - 4.7-13.5 HA THR 25 - HB2 LEU 22 far 0 71 0 - 4.8-9.8 HA LYS 19 - HB2 LEU 22 far 0 99 0 - 5.0-9.6 HA ALA 28 - HB2 LEU 22 far 0 81 0 - 5.6-16.7 HA LYS 26 - HB2 LEU 22 far 0 100 0 - 5.6-10.7 HA ALA 21 - HB2 LEU 22 far 0 57 0 - 5.6-6.3 HA LYS 36 - HB3 LEU 42 far 0 58 0 - 7.0-10.6 HA ALA 16 - HB2 LEU 22 far 0 97 0 - 8.2-14.5 HA SER 74 - HB3 LEU 42 far 0 51 0 - 9.0-11.2 HA GLN 61 - HB2 LEU 22 far 0 93 0 - 9.7-42.0 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 5 assignments used, quality = 1.00: * HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 22 + HB2 LEU 22 OK 96 100 100 96 2.3-3.0 3.0=59, 2.1/402=42...(18) HG LEU 43 - HB3 LEU 42 far 0 45 0 - 4.7-5.5 HG3 ARG 23 - HB2 LEU 22 far 0 100 0 - 6.1-7.8 HG LEU 70 - HB3 LEU 42 far 0 75 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 380 from aliabs.peaks (1.62, 1.54, 42.02 ppm; 4.74 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 43 + HB3 LEU 42 OK 52 53 100 99 4.7-5.5 ~11903=62, 4.6/6501=53...(8) HB2 LEU 69 - HB3 LEU 42 far 2 39 5 - 5.5-9.4 HG3 ARG 23 - HB2 LEU 22 far 0 100 0 - 6.1-7.8 HD2 LYS 19 - HB2 LEU 22 far 0 60 0 - 8.9-11.9 HD3 LYS 19 - HB2 LEU 22 far 0 65 0 - 9.3-11.9 HG LEU 70 - HB3 LEU 42 far 0 72 0 - 9.9-13.1 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 10 assignments used, quality = 1.00: * QD2 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 32 - HB2 LEU 22 far 5 100 5 - 3.7-18.7 QG1 VAL 133 - HB3 LEU 42 far 0 76 0 - 4.4-5.4 QG2 ILE 129 - HB3 LEU 42 far 0 62 0 - 4.8-6.1 QD2 LEU 69 - HB3 LEU 42 far 0 47 0 - 5.5-8.0 HG13 ILE 80 - HB3 LEU 42 far 0 39 0 - 7.1-10.9 QG2 ILE 32 - HB3 LEU 42 far 0 76 0 - 7.6-12.6 QD2 LEU 70 - HB3 LEU 42 far 0 63 0 - 8.6-10.4 QG2 ILE 80 - HB3 LEU 42 far 0 45 0 - 8.6-10.5 QD1 LEU 70 - HB3 LEU 42 far 0 39 0 - 8.7-11.4 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 8 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.9-3.2 3.1=100 QG2 VAL 20 - HB2 LEU 22 far 15 99 15 - 3.1-7.8 QG1 VAL 20 - HB2 LEU 22 far 0 81 0 - 4.4-8.3 QD2 LEU 69 - HB3 LEU 42 far 0 55 0 - 5.5-8.0 QD1 LEU 49 - HB3 LEU 42 far 0 47 0 - 8.0-12.0 QD1 LEU 48 - HB3 LEU 42 far 0 53 0 - 8.6-11.0 QD1 LEU 48 - HB2 LEU 22 far 0 78 0 - 9.8-31.0 QG2 VAL 63 - HB2 LEU 22 far 0 76 0 - 10.0-35.3 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 2.3-2.9 2.9=100 HA THR 18 - HB3 LEU 22 far 14 90 15 - 2.8-10.0 HA ALA 21 - HB3 LEU 22 far 0 57 0 - 4.7-6.2 HA LYS 31 - HB3 LEU 22 far 0 100 0 - 5.1-23.2 HA ARG 23 - HB3 LEU 22 far 0 95 0 - 5.2-6.0 HA LYS 19 - HB3 LEU 22 far 0 99 0 - 5.3-8.8 HA GLN 27 - HB3 LEU 22 far 0 87 0 - 5.8-14.8 HA THR 25 - HB3 LEU 22 far 0 71 0 - 6.4-10.7 HA ALA 28 - HB3 LEU 22 far 0 81 0 - 6.6-17.9 HA LYS 26 - HB3 LEU 22 far 0 100 0 - 7.4-12.0 HA SER 124 - HB2 LEU 122 far 0 68 0 - 7.6-8.5 HA ALA 16 - HB3 LEU 22 far 0 97 0 - 7.9-14.2 HA SER 94 - HB2 LEU 122 far 0 56 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 386 from aliabs.peaks (1.54, 1.62, 42.02 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 49 - HB2 LEU 122 far 0 54 0 - 4.8-8.9 HB2 LEU 53 - HB2 LEU 122 far 0 66 0 - 5.2-10.1 HB2 LEU 119 - HB2 LEU 122 far 0 93 0 - 5.6-8.3 HG2 ARG 23 - HB3 LEU 22 far 0 85 0 - 5.8-7.9 HG LEU 69 - HB2 LEU 122 far 0 51 0 - 6.2-11.2 HG LEU 103 - HB2 LEU 122 far 0 82 0 - 6.2-9.8 HG LEU 123 - HB2 LEU 122 far 0 68 0 - 6.4-8.4 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 8 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 70 - HB2 LEU 122 far 8 80 10 - 4.4-7.4 QG2 ILE 32 - HB3 LEU 22 far 5 100 5 - 4.8-19.4 QD2 LEU 69 - HB2 LEU 122 far 0 61 0 - 4.9-8.0 QD1 LEU 70 - HB2 LEU 122 far 0 51 0 - 5.8-9.8 QD1 LEU 98 - HB2 LEU 122 far 0 77 0 - 7.7-10.1 QG2 ILE 129 - HB2 LEU 122 far 0 79 0 - 8.1-10.7 QG2 VAL 57 - HB2 LEU 122 far 0 80 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 390 from aliabs.peaks (0.89, 1.62, 42.02 ppm; 3.47 A): 2 out of 13 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB2 LEU 122 OK 29 92 35 90 2.5-5.2 11748/3.5=33...(22) QG2 VAL 20 - HB3 LEU 22 far 15 99 15 - 3.1-7.6 QD1 LEU 49 - HB2 LEU 122 far 9 61 15 - 3.8-7.7 QD2 LEU 123 - HB2 LEU 122 far 0 92 0 - 4.4-7.3 QD1 LEU 62 - HB2 LEU 122 far 0 59 0 - 4.7-7.4 QG1 VAL 20 - HB3 LEU 22 far 0 81 0 - 4.9-8.3 QD2 LEU 69 - HB2 LEU 122 far 0 70 0 - 4.9-8.0 QG2 VAL 63 - HB2 LEU 122 far 0 66 0 - 6.6-8.2 QD2 LEU 98 - HB2 LEU 122 far 0 92 0 - 7.5-9.9 QD1 LEU 98 - HB2 LEU 122 far 0 54 0 - 7.7-10.1 QD1 LEU 48 - HB2 LEU 122 far 0 68 0 - 8.4-12.6 QD2 LEU 48 - HB2 LEU 122 far 0 90 0 - 8.5-11.8 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 37 assignments used, quality = 1.00: * HA LEU 22 + HG LEU 22 OK 100 100 100 100 2.2-4.3 4.3=100 HA ARG 23 + HG3 ARG 23 OK 88 88 100 100 3.1-4.2 3.8=100 HA ARG 84 + HG2 ARG 84 OK 55 55 100 100 2.3-4.0 3.9=100 HA ARG 84 + HG3 ARG 84 OK 45 45 100 100 2.3-4.0 3.9=100 HA LEU 22 + HG3 ARG 23 OK 43 96 50 89 4.4-6.9 375/5.0=76, 370/1.8=26...(8) HA ALA 21 - HG3 ARG 23 poor 18 52 35 - 4.4-9.0 HA ALA 21 - HG LEU 22 poor 14 57 25 - 4.3-7.1 HA THR 18 - HG LEU 22 far 14 90 15 - 5.0-12.5 HA LYS 19 - HG LEU 22 far 10 99 10 - 4.7-11.0 HA LYS 26 - HG3 ARG 23 far 10 96 10 - 5.9-10.2 HA LYS 19 - HG3 ARG 23 far 9 95 10 - 4.6-13.3 HA THR 25 - HG3 ARG 23 far 6 64 10 - 5.2-8.8 HA LYS 31 - HG LEU 22 far 5 100 5 - 5.7-24.5 HA ARG 23 - HG LEU 22 far 5 95 5 - 6.0-7.4 HA GLN 27 - HG LEU 22 far 4 87 5 - 3.8-15.8 HA THR 18 - HG3 ARG 23 far 4 84 5 - 5.3-12.1 HA ALA 28 - HG LEU 22 far 4 81 5 - 5.7-18.8 HA GLN 27 - HG3 ARG 23 far 4 80 5 - 6.0-13.0 HA ALA 28 - HG3 ARG 23 far 4 74 5 - 3.8-15.9 HA THR 25 - HG LEU 22 far 4 71 5 - 5.6-11.8 HA SER 94 - HG LEU 70 far 2 50 5 - 5.9-8.5 HA LYS 31 - HG3 ARG 23 far 0 95 0 - 6.3-22.1 HB THR 115 - HG LEU 119 far 0 93 0 - 6.6-9.6 HA SER 74 - HG LEU 70 far 0 59 0 - 6.7-9.0 HA LYS 26 - HG LEU 22 far 0 100 0 - 6.7-12.9 HA PHE 87 - HG3 ARG 84 far 0 60 0 - 6.8-9.9 HA SER 124 - HG LEU 122 far 0 44 0 - 7.7-9.9 HA ALA 108 - HG LEU 119 far 0 88 0 - 7.7-15.2 HA PHE 87 - HG2 ARG 84 far 0 71 0 - 7.8-9.4 HA ALA 15 - HG3 ARG 23 far 0 87 0 - 8.0-18.8 HA ALA 110 - HG LEU 119 far 0 76 0 - 8.2-14.1 HA ALA 16 - HG3 ARG 23 far 0 91 0 - 8.2-17.9 HA ALA 109 - HG LEU 119 far 0 88 0 - 8.3-13.5 HA SER 94 - HG LEU 122 far 0 36 0 - 9.0-12.5 HA ALA 110 - HG LEU 22 far 0 85 0 - 9.1-50.6 HA ALA 16 - HG LEU 22 far 0 97 0 - 9.1-16.0 HA ALA 16 - HG LEU 70 far 0 80 0 - 9.5-37.3 Violated in 0 structures by 0.00 A. Peak 394 from aliabs.peaks (1.54, 1.62, 26.83 ppm; 4.74 A): 4 out of 19 assignments used, quality = 1.00: * HB2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 119 + HG LEU 119 OK 95 95 100 100 2.6-3.0 2.9=100 HG2 ARG 23 + HG3 ARG 23 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 LEU 119 + HG LEU 122 OK 26 65 40 99 4.8-8.6 ~3764=39, ~3764=35...(36) HG LEU 103 - HG LEU 119 poor 18 84 35 63 3.9-9.8 3791/2.1=22, ~3409=12...(12) HB2 LEU 53 - HG LEU 119 far 10 68 15 - 4.6-8.6 HG LEU 103 - HG LEU 122 far 5 55 10 - 4.2-9.3 HG LEU 69 - HG LEU 70 far 2 45 5 - 5.5-9.2 HB2 LEU 53 - HG LEU 122 far 0 42 0 - 5.9-11.7 HG LEU 49 - HG LEU 122 far 0 34 0 - 6.1-9.1 HB2 LEU 22 - HG3 ARG 23 far 0 96 0 - 6.1-7.8 HG2 ARG 23 - HG LEU 22 far 0 85 0 - 6.1-9.3 HG LEU 123 - HG LEU 122 far 0 44 0 - 6.3-9.4 HG LEU 69 - HG LEU 122 far 0 32 0 - 7.7-10.4 HG LEU 123 - HG LEU 119 far 0 70 0 - 7.9-10.2 HG LEU 49 - HG LEU 70 far 0 48 0 - 8.9-13.0 HB3 LEU 42 - HG LEU 70 far 0 86 0 - 9.9-13.1 HG LEU 103 - HG LEU 70 far 0 74 0 - 9.9-13.2 HG LEU 49 - HG LEU 119 far 0 55 0 - 10.0-13.0 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 24 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 VAL 57 - HG LEU 119 far 0 82 0 - 4.5-7.5 QD2 LEU 70 - HG LEU 122 far 0 53 0 - 4.7-7.5 QD2 LEU 22 - HG3 ARG 23 far 0 96 0 - 4.8-8.3 QG2 ILE 80 - HG2 ARG 84 far 0 42 0 - 5.0-7.7 QD2 LEU 69 - HG LEU 70 far 0 54 0 - 5.1-8.5 QD2 LEU 69 - HG LEU 122 far 0 39 0 - 5.3-8.9 QD1 LEU 98 - HG LEU 122 far 0 50 0 - 5.8-10.1 QG2 ILE 80 - HG3 ARG 84 far 0 34 0 - 5.8-7.7 QG2 ILE 32 - HG LEU 22 far 0 100 0 - 5.9-20.5 QD1 LEU 70 - HG LEU 122 far 0 32 0 - 6.2-9.8 HG13 ILE 80 - HG2 ARG 84 far 0 37 0 - 6.2-12.6 QD1 LEU 98 - HG LEU 70 far 0 69 0 - 6.3-10.7 QG2 ILE 32 - HG3 ARG 23 far 0 96 0 - 6.6-19.6 HG13 ILE 80 - HG3 ARG 84 far 0 30 0 - 6.7-12.4 QG2 ILE 129 - HG LEU 70 far 0 71 0 - 6.9-9.2 QG2 VAL 57 - HG LEU 122 far 0 53 0 - 7.7-11.1 QG2 ILE 129 - HG LEU 122 far 0 52 0 - 8.1-11.6 QG1 VAL 133 - HG2 ARG 84 far 0 73 0 - 8.7-12.8 QG1 VAL 133 - HG3 ARG 84 far 0 61 0 - 8.8-12.3 QD1 LEU 98 - HG LEU 119 far 0 78 0 - 9.5-14.9 QG2 ILE 32 - HG LEU 70 far 0 86 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 398 from aliabs.peaks (0.89, 1.62, 26.83 ppm; 4.03 A): 6 out of 32 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 93 90 98 3.4-6.2 4.1/7654=51...(15) QG1 VAL 118 + HG LEU 122 OK 61 64 100 96 2.0-4.8 11748/4.6=36...(25) QG2 VAL 20 + HG3 ARG 23 OK 60 95 70 90 2.0-6.6 11844/3.0=28...(19) QD1 LEU 62 + HG LEU 119 OK 58 60 100 96 2.0-4.0 ~10992=51, 10954/3.7=25...(23) QG1 VAL 20 + HG3 ARG 23 OK 24 74 40 81 3.4-8.5 ~11844=20, ~10706=16...(18) QD1 LEU 22 - HG3 ARG 23 far 10 96 10 - 4.7-8.7 QD1 LEU 62 - HG LEU 122 poor 9 37 25 - 4.0-7.2 QD1 LEU 49 - HG LEU 122 far 4 39 10 - 4.3-7.7 QD2 LEU 123 - HG LEU 122 far 3 64 5 - 4.7-8.0 QG2 VAL 20 - HG LEU 22 far 0 99 0 - 5.0-9.2 QD2 LEU 69 - HG LEU 70 far 0 63 0 - 5.1-8.5 QD2 LEU 69 - HG LEU 122 far 0 46 0 - 5.3-8.9 QD2 LEU 123 - HG LEU 119 far 0 94 0 - 5.4-8.6 QG2 VAL 63 - HG LEU 122 far 0 42 0 - 5.4-7.9 QD1 LEU 98 - HG LEU 122 far 0 34 0 - 5.8-10.1 QG2 VAL 63 - HG LEU 119 far 0 68 0 - 5.9-9.1 QG1 VAL 20 - HG LEU 22 far 0 81 0 - 6.2-9.6 QD1 LEU 98 - HG LEU 70 far 0 48 0 - 6.3-10.7 QD2 LEU 98 - HG LEU 122 far 0 64 0 - 6.3-9.4 QD1 LEU 49 - HG LEU 70 far 0 54 0 - 6.3-10.7 QD1 LEU 49 - HG LEU 119 far 0 63 0 - 7.5-11.5 QG2 VAL 63 - HG LEU 70 far 0 59 0 - 7.9-9.6 QG1 VAL 118 - HG LEU 70 far 0 84 0 - 8.2-10.1 QD2 LEU 98 - HG LEU 70 far 0 85 0 - 8.4-10.2 QD1 LEU 48 - HG LEU 70 far 0 61 0 - 9.0-13.3 QD1 LEU 48 - HG LEU 22 far 0 78 0 - 9.3-32.8 QD1 LEU 98 - HG LEU 119 far 0 55 0 - 9.5-14.9 QD1 LEU 48 - HG LEU 122 far 0 44 0 - 9.7-12.6 QG2 VAL 63 - HG LEU 22 far 0 76 0 - 9.7-36.7 QD2 LEU 48 - HG LEU 122 far 0 62 0 - 9.8-11.5 QD2 LEU 123 - HG LEU 70 far 0 85 0 - 10.0-14.0 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 12 assignments used, quality = 1.00: * HA LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.8-3.4 373=91, 409/2.1=53...(21) HA LYS 19 - QD2 LEU 22 far 5 99 5 - 3.5-9.6 HA ARG 23 - QD2 LEU 22 far 5 95 5 - 3.3-6.5 HA THR 18 - QD2 LEU 22 far 5 90 5 - 3.2-10.1 HA THR 25 - QD2 LEU 22 far 4 71 5 - 2.8-9.9 HA ALA 21 - QD2 LEU 22 far 0 57 0 - 4.1-6.6 HA LYS 31 - QD2 LEU 22 far 0 100 0 - 4.2-20.1 HA LYS 26 - QD2 LEU 22 far 0 100 0 - 4.6-11.8 HA GLN 27 - QD2 LEU 22 far 0 87 0 - 5.1-14.2 HA ALA 28 - QD2 LEU 22 far 0 81 0 - 5.7-17.0 HA ALA 16 - QD2 LEU 22 far 0 97 0 - 6.7-13.2 HA ALA 110 - QD2 LEU 22 far 0 85 0 - 8.4-41.3 Violated in 3 structures by 0.02 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 - 5.0-8.0 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 3 assignments used, quality = 1.00: HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 * HB3 LEU 22 + QD2 LEU 22 OK 99 100 100 99 2.1-3.2 3.1=99 HG3 ARG 23 - QD2 LEU 22 far 0 100 0 - 4.8-8.3 Violated in 0 structures by 0.00 A. Peak 404 from aliabs.peaks (1.62, 0.84, 23.20 ppm; 2.75 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 22 + QD2 LEU 22 OK 98 100 100 98 2.1-3.2 3.1=68, 1.8/402=57...(17) HG3 ARG 23 - QD2 LEU 22 far 0 100 0 - 4.8-8.3 HD2 LYS 19 - QD2 LEU 22 far 0 60 0 - 6.6-11.6 HD3 LYS 19 - QD2 LEU 22 far 0 65 0 - 7.5-12.0 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 6 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 20 - QD2 LEU 22 far 0 99 0 - 4.5-7.3 QG1 VAL 20 - QD2 LEU 22 far 0 81 0 - 5.3-8.0 QD1 LEU 48 - QD2 LEU 22 far 0 78 0 - 8.1-26.2 QD2 LEU 48 - QD2 LEU 22 far 0 99 0 - 8.5-28.1 QG2 VAL 63 - QD2 LEU 22 far 0 76 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 409 from aliabs.peaks (4.26, 0.89, 24.55 ppm; 3.37 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-4.0 401/2.1=75, 374=74...(24) HA LYS 19 - QD1 LEU 22 far 15 99 15 - 3.9-10.2 HA ARG 23 - QD1 LEU 22 far 9 95 10 - 4.0-6.9 HA GLN 27 - QD1 LEU 22 far 9 87 10 - 3.8-13.4 HA THR 18 - QD1 LEU 22 far 5 90 5 - 3.6-11.0 HA ALA 21 - QD1 LEU 22 far 3 57 5 - 3.7-6.7 HA ALA 28 - QD1 LEU 22 far 0 81 0 - 4.3-15.4 HA THR 25 - QD1 LEU 22 far 0 71 0 - 4.5-10.3 HA LYS 26 - QD1 LEU 22 far 0 100 0 - 4.5-11.5 HA LYS 31 - QD1 LEU 22 far 0 100 0 - 4.6-21.1 HA ALA 110 - QD1 LEU 22 far 0 85 0 - 7.5-43.4 HA GLN 61 - QD1 LEU 22 far 0 93 0 - 8.2-37.6 HA ALA 16 - QD1 LEU 22 far 0 97 0 - 8.4-13.5 Violated in 8 structures by 0.10 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 1.9-3.2 3.1=100 HG2 ARG 23 - QD1 LEU 22 far 8 85 10 - 3.3-8.4 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 2.0-3.2 3.1=84, 2.9/409=41...(20) HG3 ARG 23 - QD1 LEU 22 far 0 100 0 - 4.7-8.7 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 2.0-3.2 3.1=84, 2.9/409=41...(20) HG3 ARG 23 - QD1 LEU 22 far 0 100 0 - 4.7-8.7 HD2 LYS 19 - QD1 LEU 22 far 0 60 0 - 6.5-12.1 HD3 LYS 19 - QD1 LEU 22 far 0 65 0 - 7.4-11.9 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 3 assignments used, quality = 1.00: * QD2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 32 - QD1 LEU 22 far 0 100 0 - 4.5-17.3 QD1 LEU 70 - QD1 LEU 22 far 0 60 0 - 8.9-24.3 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 16 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 H GLU 30 + HA LYS 31 OK 39 54 100 73 4.9-6.1 ~759=40, 7906/6342=30...(5) H LYS 31 + HA LYS 31 OK 27 27 100 100 2.3-2.9 3.0=100 H ALA 29 - HA LYS 26 poor 9 44 20 - 6.0-9.8 H LYS 31 - HA ARG 23 far 6 60 10 - 5.1-17.6 H ALA 29 - HA ARG 23 far 5 95 5 - 5.8-14.9 H GLU 30 - HA LYS 19 far 3 62 5 - 6.4-19.2 H LYS 31 - HA LYS 26 far 2 24 10 - 6.2-12.9 H ARG 23 - HA LYS 19 lone 2 63 55 5 5.4-9.6 11783/3970=4 H GLU 30 - HA LYS 26 far 0 50 0 - 6.5-10.6 H ARG 23 - HA LYS 31 far 0 56 0 - 6.9-20.8 H ARG 23 - HA LYS 26 far 0 51 0 - 7.2-9.8 H ALA 29 - HA LYS 31 far 0 48 0 - 7.2-9.1 H ALA 29 - HA LYS 19 far 0 55 0 - 7.3-20.3 H GLU 30 - HA ARG 23 far 0 99 0 - 7.4-14.7 H LYS 31 - HA LYS 19 far 0 31 0 - 7.5-18.4 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 20 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-2.9 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 2.5-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 49 49 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HA LYS 26 far 2 48 5 - 4.0-13.4 HB2 LYS 31 - HA ARG 23 far 0 98 0 - 4.6-15.9 HB2 LYS 26 - HA ARG 23 far 0 99 0 - 4.7-9.7 HB2 ARG 23 - HA LYS 19 far 0 63 0 - 4.8-11.1 HB2 LYS 24 - HA ARG 23 far 0 99 0 - 4.9-6.1 HB2 LYS 24 - HA LYS 19 far 0 60 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 53 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 59 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 48 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 51 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 48 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 56 0 - 6.8-19.6 HB2 LYS 19 - HA ARG 23 far 0 98 0 - 6.9-11.3 HB2 LYS 24 - HA LYS 31 far 0 53 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 52 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 61 0 - 8.4-17.8 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 26 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.0 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 2.3-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.3-2.6 3.0=100 HB3 LYS 31 - HA ARG 23 far 5 99 5 - 3.9-17.1 HB3 ARG 23 - HA LYS 26 far 0 51 0 - 4.3-10.0 HB3 LYS 24 - HA ARG 23 far 0 100 0 - 4.4-6.5 HB3 LYS 26 - HA ARG 23 far 0 100 0 - 4.5-10.3 HB3 LYS 26 - HA LYS 31 far 0 55 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 50 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 53 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 63 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 50 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 62 0 - 5.7-18.7 HB3 LYS 19 - HA ARG 23 far 0 97 0 - 5.8-10.2 HB3 ARG 23 - HA LYS 19 far 0 63 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 46 0 - 5.9-14.9 HB2 LYS 36 - HA LYS 31 far 0 56 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 61 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 49 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.8-20.0 HB ILE 32 - HA ARG 23 far 0 99 0 - 8.0-20.1 HB3 LYS 19 - HA LYS 31 far 0 50 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 63 0 - 8.1-17.7 HB2 LYS 36 - HA LYS 19 far 0 63 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 55 0 - 9.3-20.9 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 10 assignments used, quality = 1.00: * HG2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.0-3.7 3.8=100 HB2 LEU 22 + HA ARG 23 OK 63 85 75 99 4.3-5.1 6197/2.9=56...(22) HB2 LEU 22 - HA LYS 31 far 4 41 10 - 4.2-22.1 HB2 LEU 22 - HA LYS 19 far 0 47 0 - 5.0-9.6 HG2 ARG 23 - HA LYS 19 far 0 63 0 - 5.0-12.3 HG2 ARG 23 - HA LYS 26 far 0 51 0 - 5.4-9.3 HB2 LEU 22 - HA LYS 26 far 0 38 0 - 5.6-10.7 HG2 ARG 23 - HA LYS 31 far 0 56 0 - 6.3-21.9 HG13 ILE 37 - HA LYS 19 far 0 59 0 - 7.6-25.6 HG13 ILE 37 - HA ARG 23 far 0 98 0 - 10.0-25.7 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 3.1-4.2 3.8=100 HB3 LEU 22 + HA ARG 23 OK 100 100 100 100 5.2-6.0 6189/10728=90, ~6197=69...(18) HD3 LYS 19 + HA LYS 19 OK 33 33 100 100 3.9-5.5 5.2=100 HB3 LEU 22 - HA LYS 19 poor 16 63 25 - 5.3-8.8 HG3 ARG 23 - HA LYS 19 far 6 63 10 - 4.6-13.3 HG LEU 22 - HA LYS 19 far 6 63 10 - 4.7-11.0 HB3 LEU 22 - HA LYS 31 far 6 55 10 - 5.1-23.2 HG3 ARG 23 - HA LYS 26 far 5 51 10 - 5.9-10.2 HG LEU 22 - HA ARG 23 far 5 100 5 - 6.0-7.4 HG LEU 22 - HA LYS 31 far 3 56 5 - 5.7-24.5 HG3 ARG 23 - HA LYS 31 far 0 56 0 - 6.3-22.1 HG LEU 22 - HA LYS 26 far 0 51 0 - 6.7-12.9 HB3 LEU 22 - HA LYS 26 far 0 51 0 - 7.4-12.0 HD3 LYS 19 - HA LYS 31 far 0 28 0 - 7.5-21.8 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 8.5-12.2 HD3 LYS 19 - HA LYS 26 far 0 26 0 - 9.1-18.3 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 10 assignments used, quality = 1.00: * HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.3 4.9=93, ~430=46...(23) HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.0 4.9=93, ~430=46...(24) HD3 ARG 23 - HA LYS 26 far 5 51 10 - 5.3-11.5 HD2 ARG 23 - HA LYS 26 far 3 51 5 - 5.0-10.9 HD3 ARG 23 - HA LYS 19 far 0 63 0 - 6.1-11.0 HD2 ARG 23 - HA LYS 19 far 0 63 0 - 6.1-11.8 HD3 ARG 23 - HA LYS 31 far 0 55 0 - 7.9-21.2 HD2 ARG 23 - HA LYS 31 far 0 56 0 - 8.2-22.2 HB2 HIS 8 - HA LYS 31 far 0 50 0 - 9.8-41.8 HB2 HIS 10 - HA LYS 19 far 0 59 0 - 9.9-27.6 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 10 assignments used, quality = 1.00: * HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.0 4.9=93, ~430=46...(24) HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.4-5.3 4.9=93, ~430=46...(23) HD3 ARG 23 - HA LYS 26 far 5 51 10 - 5.3-11.5 HD2 ARG 23 - HA LYS 26 far 3 51 5 - 5.0-10.9 HD3 ARG 23 - HA LYS 19 far 0 63 0 - 6.1-11.0 HD2 ARG 23 - HA LYS 19 far 0 63 0 - 6.1-11.8 HD3 ARG 23 - HA LYS 31 far 0 56 0 - 7.9-21.2 HD2 ARG 23 - HA LYS 31 far 0 55 0 - 8.2-22.2 HB2 HIS 8 - HA LYS 31 far 0 53 0 - 9.8-41.8 HB2 HIS 10 - HA LYS 19 far 0 57 0 - 9.9-27.6 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 2.5-3.4 3.6=100 H LYS 24 - HA LYS 19 far 10 63 15 - 4.7-12.0 H LYS 24 - HA LYS 26 far 5 51 10 - 5.9-7.5 H LYS 24 - HA LYS 31 far 0 56 0 - 6.9-19.0 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 10 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 22 - HB2 ARG 23 far 0 95 0 - 4.3-5.6 HA LYS 19 - HB2 ARG 23 far 0 99 0 - 4.8-11.1 HA THR 18 - HB2 ARG 23 far 0 100 0 - 5.3-10.4 HA ALA 21 - HB2 ARG 23 far 0 89 0 - 5.3-7.5 HA LYS 26 - HB2 ARG 23 far 0 97 0 - 5.7-10.0 HA ALA 16 - HB2 ARG 23 far 0 100 0 - 6.2-15.6 HA LYS 31 - HB2 ARG 23 far 0 99 0 - 6.8-19.6 HA THR 25 - HB2 ARG 23 far 0 96 0 - 6.9-8.7 HA ALA 15 - HB2 ARG 23 far 0 100 0 - 9.6-16.9 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 6 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 31 - HB2 ARG 23 far 0 99 0 - 4.7-18.8 HB3 LYS 19 - HB2 ARG 23 far 0 97 0 - 4.7-10.4 HB3 LYS 26 - HB2 ARG 23 far 0 100 0 - 5.3-11.7 HB3 LYS 24 - HB2 ARG 23 far 0 100 0 - 6.2-7.9 HB ILE 32 - HB2 ARG 23 far 0 99 0 - 7.4-21.6 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 2.4-3.0 3.0=100 HB2 LEU 22 - HB2 ARG 23 far 0 85 0 - 5.3-6.5 Violated in 0 structures by 0.00 A. Peak 430 from aliabs.peaks (1.62, 1.75, 30.64 ppm; 2.86 A): 1 out of 4 assignments used, quality = 0.96: * HG3 ARG 23 + HB2 ARG 23 OK 96 100 100 96 2.2-3.0 3.0=88, 452/6203=21...(15) HB3 LEU 22 - HB2 ARG 23 far 0 100 0 - 6.1-7.1 HG LEU 22 - HB2 ARG 23 far 0 100 0 - 6.2-8.2 HD3 LYS 19 - HB2 ARG 23 far 0 63 0 - 7.0-11.4 Violated in 4 structures by 0.02 A. Peak 431 from aliabs.peaks (3.16, 1.75, 30.64 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 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 2 assignments used, quality = 1.00: * HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 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 2.2-3.0 3.0=100 HA LYS 26 - HB3 ARG 23 far 5 97 5 - 4.3-10.0 HA LEU 22 - HB3 ARG 23 far 0 95 0 - 4.8-6.3 HA THR 25 - HB3 ARG 23 far 0 96 0 - 5.3-8.0 HA LYS 19 - HB3 ARG 23 far 0 99 0 - 5.8-12.2 HA THR 18 - HB3 ARG 23 far 0 100 0 - 6.5-12.0 HA ALA 21 - HB3 ARG 23 far 0 89 0 - 6.6-9.0 HA ALA 16 - HB3 ARG 23 far 0 100 0 - 7.5-17.0 HA LYS 31 - HB3 ARG 23 far 0 99 0 - 7.8-20.0 HA ALA 15 - HB3 ARG 23 far 0 100 0 - 10.0-18.4 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 6 assignments used, quality = 1.00: * HB2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 26 - HB3 ARG 23 far 0 99 0 - 5.1-11.4 HB2 LYS 31 - HB3 ARG 23 far 0 98 0 - 5.8-17.1 HB2 LYS 24 - HB3 ARG 23 far 0 99 0 - 6.4-7.2 HB2 LYS 19 - HB3 ARG 23 far 0 98 0 - 6.9-12.5 HB ILE 80 - HB3 ARG 135 far 0 72 0 - 8.8-11.8 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 2.4-3.0 3.0=100 HB2 LEU 22 - HB3 ARG 23 far 0 85 0 - 5.6-7.0 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 6 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 - HB3 ARG 135 far 0 66 0 - 4.8-9.2 HG2 ARG 84 - HB3 ARG 135 far 0 72 0 - 5.5-10.1 HB3 LEU 22 - HB3 ARG 23 far 0 100 0 - 6.0-7.9 HG LEU 22 - HB3 ARG 23 far 0 100 0 - 6.4-8.9 HD3 LYS 19 - HB3 ARG 23 far 0 63 0 - 8.1-12.3 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 4 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 2.1-4.1 3.7=100 HD2 ARG 84 - HB3 ARG 135 far 3 51 5 - 5.0-10.3 HD3 ARG 84 - HB3 ARG 135 far 0 51 0 - 6.6-10.1 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 2 assignments used, quality = 1.00: * HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.1-4.1 3.7=100 HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=100 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 11 assignments used, quality = 1.00: * H ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.9-4.0 5.0=100 H LEU 123 + HG LEU 123 OK 97 97 100 100 4.0-4.6 4.6=100 H VAL 126 + HG LEU 123 OK 55 83 70 95 5.7-7.5 7772/7765=73...(7) H VAL 126 - HG LEU 49 poor 18 73 25 - 5.7-8.8 H LEU 123 - HG LEU 49 far 13 89 15 - 5.8-9.4 H GLU 30 - HG2 ARG 23 far 5 99 5 - 6.7-18.2 H ALA 29 - HG2 ARG 23 far 5 95 5 - 5.2-18.2 H LYS 31 - HG2 ARG 23 far 3 60 5 - 4.9-21.1 H LEU 123 - HG LEU 103 far 0 92 0 - 7.4-11.4 H LEU 43 - HG LEU 49 far 0 56 0 - 9.4-12.2 H ASP 131 - HG LEU 49 far 0 84 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 444 from aliabs.peaks (4.28, 1.56, 26.98 ppm; 4.05 A): 2 out of 16 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.0-3.7 3.8=100 HA LEU 22 + HG2 ARG 23 OK 43 95 55 82 3.9-6.7 375/6205=66, 370=19...(10) HA ALA 108 - HG LEU 103 far 9 94 10 - 3.9-11.7 HA ALA 21 - HG2 ARG 23 far 4 89 5 - 4.6-7.9 HA LYS 19 - HG2 ARG 23 far 0 99 0 - 5.0-12.3 HA THR 18 - HG2 ARG 23 far 0 100 0 - 5.2-11.8 HA LYS 26 - HG2 ARG 23 far 0 97 0 - 5.4-9.3 HA THR 25 - HG2 ARG 23 far 0 96 0 - 5.9-8.2 HA LYS 31 - HG2 ARG 23 far 0 99 0 - 6.3-21.9 HA ALA 109 - HG LEU 103 far 0 94 0 - 6.5-12.2 HA ALA 110 - HG LEU 103 far 0 92 0 - 6.8-12.2 HA GLN 61 - HG LEU 49 far 0 91 0 - 7.7-11.0 HA GLN 61 - HG LEU 103 far 0 94 0 - 8.0-10.5 HA ALA 15 - HG2 ARG 23 far 0 100 0 - 8.2-19.3 HA ALA 16 - HG2 ARG 23 far 0 100 0 - 8.9-16.9 HB THR 115 - HG LEU 103 far 0 92 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 445 from aliabs.peaks (1.75, 1.56, 26.98 ppm; 3.51 A): 2 out of 11 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 48 + HG LEU 49 OK 24 54 50 90 3.0-8.1 11026/11025=33...(21) HB2 LYS 31 - HG2 ARG 23 far 5 98 5 - 4.0-19.1 HG LEU 100 - HG LEU 103 far 0 71 0 - 5.1-8.7 HB2 LYS 24 - HG2 ARG 23 far 0 99 0 - 5.2-7.1 HB2 LYS 26 - HG2 ARG 23 far 0 99 0 - 5.7-11.3 HB2 LYS 19 - HG2 ARG 23 far 0 98 0 - 6.2-13.0 HG LEU 100 - HG LEU 49 far 0 67 0 - 6.6-9.1 HG13 ILE 129 - HG LEU 49 far 0 87 0 - 7.7-12.0 HB2 LEU 48 - HG LEU 123 far 0 62 0 - 8.3-14.1 HG LEU 100 - HG LEU 123 far 0 77 0 - 9.5-12.9 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 13 assignments used, quality = 1.00: * HB3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HG LEU 103 OK 62 62 100 100 2.5-3.0 3.0=100 HB2 LEU 100 - HG LEU 103 far 9 93 10 - 4.2-8.5 HB3 LYS 31 - HG2 ARG 23 far 5 99 5 - 4.7-19.6 HB3 LYS 19 - HG2 ARG 23 far 5 97 5 - 4.7-11.6 HB3 LEU 122 - HG LEU 49 far 0 51 0 - 5.0-10.0 HB3 LYS 24 - HG2 ARG 23 far 0 100 0 - 5.1-8.0 HB3 LEU 122 - HG LEU 103 far 0 54 0 - 5.1-8.7 HB3 LEU 122 - HG LEU 123 far 0 59 0 - 6.5-8.5 HB3 LYS 26 - HG2 ARG 23 far 0 100 0 - 6.5-11.7 HB2 LEU 100 - HG LEU 49 far 0 90 0 - 7.9-11.3 HB ILE 32 - HG2 ARG 23 far 0 99 0 - 8.0-23.6 HB3 LEU 103 - HG LEU 49 far 0 58 0 - 9.5-14.4 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 22 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 51 57 100 90 2.3-2.8 3.0=57, 3954/2.1=23...(16) HG LEU 119 - HG LEU 103 far 0 94 0 - 3.9-9.8 HG LEU 122 - HG LEU 103 far 0 83 0 - 4.2-9.3 HB2 LEU 122 - HG LEU 49 far 0 84 0 - 4.8-8.9 HG LEU 62 - HG LEU 103 far 0 62 0 - 5.1-8.1 HB3 LEU 22 - HG2 ARG 23 far 0 100 0 - 5.8-7.9 HG LEU 122 - HG LEU 49 far 0 79 0 - 6.1-9.1 HG LEU 22 - HG2 ARG 23 far 0 100 0 - 6.1-9.3 HB2 LEU 122 - HG LEU 103 far 0 88 0 - 6.2-9.8 HB2 LEU 123 - HG LEU 49 far 0 49 0 - 6.3-10.3 HG LEU 122 - HG LEU 123 far 0 88 0 - 6.3-9.4 HB2 LEU 122 - HG LEU 123 far 0 93 0 - 6.4-8.4 HG LEU 62 - HG LEU 49 far 0 58 0 - 6.4-9.7 HG LEU 62 - HG LEU 123 far 0 67 0 - 7.9-11.8 HG LEU 119 - HG LEU 123 far 0 98 0 - 7.9-10.2 HB2 LEU 123 - HG LEU 103 far 0 52 0 - 8.5-13.7 HD3 LYS 19 - HG2 ARG 23 far 0 63 0 - 8.6-13.3 HB2 LEU 98 - HG LEU 103 far 0 59 0 - 8.7-12.6 HG LEU 70 - HG LEU 49 far 0 87 0 - 8.9-13.0 HG LEU 70 - HG LEU 103 far 0 91 0 - 9.9-13.2 HG LEU 119 - HG LEU 49 far 0 90 0 - 10.0-13.0 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 2 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 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 2 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 Violated in 0 structures by 0.00 A. Peak 452 from aliabs.peaks (8.26, 1.62, 26.98 ppm; 5.16 A): 4 out of 14 assignments used, quality = 1.00: * H ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.9-4.9 5.0=100 H ARG 23 + HG LEU 22 OK 96 96 100 100 4.4-6.0 6197/3.0=92, 375/4.3=88...(14) H LEU 123 + HG LEU 122 OK 75 75 100 100 2.3-5.2 3899/2.1=92, 7744/3.0=63...(19) H VAL 126 + HG LEU 122 OK 33 60 60 92 4.2-6.7 10405/3.0=45...(15) H LEU 96 - HG LEU 122 far 10 67 15 - 5.6-8.7 H GLU 30 - HG3 ARG 23 far 10 99 10 - 5.8-18.6 H ALA 29 - HG3 ARG 23 far 5 95 5 - 3.7-18.7 H LYS 31 - HG3 ARG 23 far 3 60 5 - 4.4-21.5 H LYS 31 - HG LEU 22 far 3 54 5 - 5.9-22.1 H GLU 30 - HG LEU 22 far 0 95 0 - 6.8-20.7 H LEU 123 - HG LEU 119 far 0 99 0 - 6.8-7.5 H LEU 96 - HG LEU 70 far 0 86 0 - 7.1-8.8 H ALA 29 - HG LEU 22 far 0 88 0 - 7.4-19.5 H VAL 126 - HG LEU 70 far 0 79 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 453 from aliabs.peaks (4.28, 1.62, 26.98 ppm; 5.54 A): 4 out of 27 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 3.1-4.2 3.8=100 HA LEU 22 + HG LEU 22 OK 88 88 100 100 2.2-4.3 4.3=100 HA LEU 22 + HG3 ARG 23 OK 60 95 70 91 4.4-6.9 375/5.0=77, 444/1.8=30...(8) HA ARG 23 + HG LEU 22 OK 24 96 25 100 6.0-7.4 10728/5.1=76, ~6200=60...(16) HA THR 18 - HG LEU 22 poor 19 96 20 - 5.0-12.5 HA THR 25 - HG3 ARG 23 far 14 96 15 - 5.2-8.8 HA LYS 19 - HG LEU 22 far 14 94 15 - 4.7-11.0 HA ALA 21 - HG3 ARG 23 poor 13 89 55 26 4.4-9.0 3.6/392=11, ~1564=7...(6) HA ALA 21 - HG LEU 22 poor 11 82 25 54 4.3-7.1 6185/5.1=37, ~1309=11...(4) HA LYS 19 - HG3 ARG 23 far 10 99 10 - 4.6-13.3 HA LYS 26 - HG3 ARG 23 far 10 97 10 - 5.9-10.2 HA THR 18 - HG3 ARG 23 far 5 100 5 - 5.3-12.1 HA LYS 31 - HG3 ARG 23 far 5 99 5 - 6.3-22.1 HA LYS 31 - HG LEU 22 far 5 94 5 - 5.7-24.5 HA THR 25 - HG LEU 22 far 4 90 5 - 5.6-11.8 HB THR 115 - HG LEU 119 far 0 99 0 - 6.6-9.6 HA SER 74 - HG LEU 70 far 0 91 0 - 6.7-9.0 HA LYS 26 - HG LEU 22 far 0 92 0 - 6.7-12.9 HA ALA 108 - HG LEU 119 far 0 100 0 - 7.7-15.2 HA PHE 87 - HG2 ARG 84 far 0 56 0 - 7.8-9.4 HA ALA 15 - HG3 ARG 23 far 0 100 0 - 8.0-18.8 HA ALA 110 - HG LEU 119 far 0 99 0 - 8.2-14.1 HA ALA 16 - HG3 ARG 23 far 0 100 0 - 8.2-17.9 HA ALA 109 - HG LEU 119 far 0 100 0 - 8.3-13.5 HA ALA 110 - HG LEU 22 far 0 95 0 - 9.1-50.6 HA ALA 16 - HG LEU 22 far 0 96 0 - 9.1-16.0 HA ALA 16 - HG LEU 70 far 0 95 0 - 9.5-37.3 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 39 55 75 95 1.9-6.2 ~9487=24, ~9487=20...(32) HB2 LYS 24 - HG LEU 22 far 9 94 10 - 3.9-8.8 HG LEU 100 - HG LEU 70 far 7 73 10 - 4.3-7.6 HB2 LYS 31 - HG3 ARG 23 far 5 98 5 - 3.9-19.2 HB2 LYS 19 - HG3 ARG 23 far 0 98 0 - 5.3-13.9 HB2 LYS 24 - HG3 ARG 23 far 0 99 0 - 5.7-8.3 HB2 LYS 26 - HG3 ARG 23 far 0 99 0 - 5.8-11.9 HB2 ARG 23 - HG LEU 22 far 0 96 0 - 6.2-8.2 HG LEU 100 - HG LEU 119 far 0 80 0 - 6.9-12.0 HG13 ILE 129 - HG LEU 122 far 0 74 0 - 7.0-12.1 HB2 LYS 19 - HG LEU 22 far 0 93 0 - 7.1-12.7 HB2 LYS 31 - HG LEU 22 far 0 93 0 - 7.1-22.7 HG13 ILE 129 - HG LEU 70 far 0 93 0 - 7.5-10.1 HB ILE 80 - HG2 ARG 84 far 0 47 0 - 8.1-10.9 HB2 LYS 26 - HG LEU 22 far 0 94 0 - 8.3-14.3 HG3 ARG 90 - HG LEU 70 far 0 84 0 - 9.8-13.7 HB2 LEU 48 - HG LEU 122 far 0 43 0 - 9.9-15.4 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 27 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 55 55 100 100 2.2-3.0 3.0=100 HB2 LEU 100 + HG LEU 122 OK 46 76 60 100 2.7-7.4 ~10337=30, ~10337=27...(43) HB3 LEU 122 + HG LEU 122 OK 41 41 100 100 2.2-2.8 3.0=100 HB2 LEU 100 - HG LEU 70 poor 19 95 20 - 4.2-6.7 HB3 LYS 24 - HG LEU 22 far 10 96 10 - 4.9-8.8 HB3 LEU 103 - HG LEU 122 poor 9 47 20 - 4.5-7.9 HB3 LEU 103 - HG LEU 119 far 7 70 10 - 3.9-10.0 HB3 LYS 24 - HG3 ARG 23 far 5 100 5 - 4.8-9.0 HB3 LYS 31 - HG3 ARG 23 far 5 99 5 - 5.2-19.8 HB3 LYS 19 - HG3 ARG 23 far 5 97 5 - 3.6-12.6 HB3 LYS 26 - HG3 ARG 23 far 0 100 0 - 5.4-12.7 HB3 ARG 135 - HG2 ARG 84 far 0 59 0 - 5.5-10.1 HB3 LYS 31 - HG LEU 22 far 0 95 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 62 0 - 5.7-9.1 HB2 LYS 86 - HG2 ARG 84 far 0 36 0 - 6.1-9.8 HB3 ARG 23 - HG LEU 22 far 0 96 0 - 6.4-8.9 HB3 LYS 19 - HG LEU 22 far 0 91 0 - 6.9-11.6 HB VAL 93 - HG LEU 70 far 0 91 0 - 7.5-9.3 HB3 LYS 26 - HG LEU 22 far 0 96 0 - 7.8-15.3 HB3 LEU 122 - HG LEU 70 far 0 56 0 - 7.9-11.3 HB ILE 32 - HG3 ARG 23 far 0 99 0 - 8.1-23.7 HB2 LEU 100 - HG LEU 119 far 0 100 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 94 0 - 8.5-24.0 HB3 LEU 103 - HG LEU 70 far 0 63 0 - 8.7-13.6 HB3 LYS 24 - HG LEU 70 far 0 95 0 - 9.4-36.0 HB VAL 93 - HG LEU 122 far 0 72 0 - 9.8-13.2 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 18 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 22 + HG LEU 22 OK 75 78 100 96 2.3-3.0 3.0=59, 402/2.1=36...(19) HB2 LEU 119 + HG LEU 119 OK 74 86 100 86 2.6-3.0 2.9=63, 3.9/7654=19...(12) HG LEU 103 - HG LEU 119 far 0 100 0 - 3.9-9.8 HB2 LEU 103 - HG LEU 119 far 0 93 0 - 4.1-9.1 HB2 LEU 103 - HG LEU 122 far 0 67 0 - 4.1-6.8 HG LEU 103 - HG LEU 122 far 0 76 0 - 4.2-9.3 HB2 LEU 119 - HG LEU 122 far 0 60 0 - 4.8-8.6 HG LEU 49 - HG LEU 122 far 0 73 0 - 6.1-9.1 HB2 LEU 22 - HG3 ARG 23 far 0 85 0 - 6.1-7.8 HG2 ARG 23 - HG LEU 22 far 0 96 0 - 6.1-9.3 HG LEU 123 - HG LEU 122 far 0 77 0 - 6.3-9.4 HG LEU 123 - HG LEU 119 far 0 100 0 - 7.9-10.2 HG LEU 49 - HG LEU 70 far 0 92 0 - 8.9-13.0 HB2 LEU 103 - HG LEU 70 far 0 86 0 - 9.2-12.7 HB3 LEU 42 - HG LEU 70 far 0 77 0 - 9.9-13.1 HG LEU 103 - HG LEU 70 far 0 95 0 - 9.9-13.2 HG LEU 49 - HG LEU 119 far 0 98 0 - 10.0-13.0 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 8 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 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.4-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 10 96 10 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 96 0 - 7.7-10.6 HD3 ARG 90 - HG LEU 70 far 0 95 0 - 9.5-14.1 HB3 TYR 76 - HG LEU 70 far 0 53 0 - 9.7-11.7 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 6 assignments used, quality = 1.00: * HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 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 - 5.9-10.8 HD2 ARG 23 - HG LEU 22 far 0 96 0 - 7.7-10.6 HD3 ARG 90 - HG LEU 70 far 0 95 0 - 9.5-14.1 HB3 TYR 76 - HG LEU 70 far 0 61 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 462 from aliabs.peaks (4.28, 3.16, 42.99 ppm; 3.72 A): 3 out of 26 assignments used, quality = 0.93: HA ARG 23 + HD3 ARG 23 OK 73 100 75 98 3.4-5.0 4.9=45, 3.0/464=30...(23) * HA ARG 23 + HD2 ARG 23 OK 64 100 65 98 3.4-5.3 4.9=45, 3.0/464=30...(23) HA PHE 87 + HD3 ARG 90 OK 29 91 40 79 3.5-7.2 2723/3.8=37, 2804/3.8=27...(11) HA PHE 87 - HD2 ARG 90 poor 18 89 20 - 2.8-7.2 HA LEU 22 - HD3 ARG 23 far 14 94 15 - 2.5-8.2 HA ALA 21 - HD3 ARG 23 far 13 88 15 - 3.0-9.7 HA SER 74 - HD2 ARG 90 far 13 87 15 - 2.9-9.4 HA SER 74 - HD3 ARG 90 far 9 89 10 - 3.7-7.9 HA ALA 21 - HD2 ARG 23 far 9 89 10 - 4.4-9.4 HA THR 18 - HD2 ARG 23 far 5 100 5 - 3.3-12.4 HA THR 18 - HD3 ARG 23 far 5 100 5 - 3.2-12.0 HA THR 25 - HD3 ARG 23 far 5 95 5 - 4.5-10.2 HA LEU 22 - HD2 ARG 23 far 5 95 5 - 4.2-8.2 HA LYS 26 - HD2 ARG 23 far 0 97 0 - 5.0-10.9 HA THR 25 - HD2 ARG 23 far 0 96 0 - 5.2-10.4 HA LYS 26 - HD3 ARG 23 far 0 97 0 - 5.3-11.5 HA LYS 19 - HD3 ARG 23 far 0 98 0 - 6.1-11.0 HA LYS 19 - HD2 ARG 23 far 0 99 0 - 6.1-11.8 HA ALA 16 - HD2 ARG 23 far 0 100 0 - 6.2-16.8 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.0-18.9 HA TYR 76 - HD2 ARG 90 far 0 50 0 - 7.2-12.2 HA ALA 16 - HD3 ARG 23 far 0 100 0 - 7.3-16.2 HA TYR 76 - HD3 ARG 90 far 0 52 0 - 7.8-11.5 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 7.8-18.1 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 7.9-21.2 HA LYS 31 - HD2 ARG 23 far 0 99 0 - 8.2-22.2 Violated in 11 structures by 0.07 A. Peak 463 from aliabs.peaks (1.75, 3.16, 42.99 ppm; 3.69 A): 4 out of 16 assignments used, quality = 1.00: * HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 81 81 100 100 2.2-2.8 3.0=100 HB2 LYS 26 - HD3 ARG 23 far 5 98 5 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 97 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 91 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 98 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 99 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 98 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 77 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 98 0 - 6.8-12.6 HB ILE 80 - HD3 ARG 90 far 0 79 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 89 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 97 0 - 7.5-12.0 Violated in 0 structures by 0.00 A. Peak 464 from aliabs.peaks (1.82, 3.16, 42.99 ppm; 3.37 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 23 + HD2 ARG 23 OK 98 100 100 98 2.0-3.9 3.7=78, ~430=32...(18) HB3 ARG 23 + HD3 ARG 23 OK 98 100 100 98 2.1-4.1 3.7=78, ~430=32...(18) HB2 LYS 86 - HD2 ARG 90 poor 12 63 45 42 2.6-7.9 9824/11304=7, ~11778=7...(12) HB VAL 93 - HD3 ARG 90 far 9 89 10 - 3.6-6.6 HB2 LYS 86 - HD3 ARG 90 far 3 64 5 - 3.8-8.9 HB VAL 93 - HD2 ARG 90 far 0 87 0 - 4.9-7.0 HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 5.0-11.5 HB3 LYS 24 - HD2 ARG 23 far 0 100 0 - 5.6-9.7 HB3 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.8-9.7 HB3 LYS 31 - HD3 ARG 23 far 0 99 0 - 5.9-18.8 HB3 LYS 19 - HD3 ARG 23 far 0 96 0 - 5.9-10.8 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 6.2-14.0 HB3 LYS 31 - HD2 ARG 23 far 0 99 0 - 6.4-19.8 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 7.0-13.4 HB ILE 32 - HD2 ARG 23 far 0 99 0 - 7.1-24.3 HB ILE 32 - HD3 ARG 23 far 0 98 0 - 8.5-23.4 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 5 assignments used, quality = 1.00: * HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 22 - HD3 ARG 23 far 0 84 0 - 4.6-8.6 HB2 LEU 22 - HD2 ARG 23 far 0 85 0 - 6.3-8.9 HB3 LEU 42 - HD3 ARG 90 far 0 75 0 - 9.8-14.8 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 9 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 2.3-3.0 3.0=100 HB3 LEU 22 - HD3 ARG 23 far 0 100 0 - 5.0-9.1 HG LEU 22 - HD3 ARG 23 far 0 100 0 - 5.9-10.8 HB3 LEU 22 - HD2 ARG 23 far 0 100 0 - 6.3-9.6 HD3 LYS 19 - HD2 ARG 23 far 0 63 0 - 6.3-13.1 HD3 LYS 19 - HD3 ARG 23 far 0 62 0 - 7.4-12.5 HG LEU 22 - HD2 ARG 23 far 0 100 0 - 7.7-10.6 HG LEU 70 - HD3 ARG 90 far 0 91 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 467 from aliabs.peaks (3.16, 3.16, 42.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 94 94 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Peak 468 from aliabs.peaks (3.16, 3.16, 42.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 90 90 - 100 Reference assignment not found: HD3 ARG 23 - HD2 ARG 23 Peak 471 from aliabs.peaks (4.28, 3.16, 42.99 ppm; 3.94 A): 3 out of 26 assignments used, quality = 0.97: * HA ARG 23 + HD3 ARG 23 OK 84 100 85 99 3.4-5.0 4.9=53, 3.0/464=32...(23) HA ARG 23 + HD2 ARG 23 OK 69 100 70 99 3.4-5.3 4.9=53, 3.0/464=32...(23) HA PHE 87 + HD3 ARG 90 OK 41 89 55 84 3.5-7.2 2723/3.8=42, 2804/3.8=31...(11) HA LEU 22 - HD3 ARG 23 poor 19 95 20 - 2.5-8.2 HA PHE 87 - HD2 ARG 90 poor 18 85 25 84 2.8-7.2 2723/3.8=42, 2804/3.8=31...(11) HA ALA 21 - HD3 ARG 23 poor 18 89 20 - 3.0-9.7 HA SER 74 - HD2 ARG 90 poor 17 84 20 - 2.9-9.4 HA SER 74 - HD3 ARG 90 far 13 87 15 - 3.7-7.9 HA ALA 21 - HD2 ARG 23 far 9 88 10 - 4.4-9.4 HA THR 18 - HD3 ARG 23 far 5 100 5 - 3.2-12.0 HA THR 18 - HD2 ARG 23 far 5 100 5 - 3.3-12.4 HA THR 25 - HD3 ARG 23 far 5 96 5 - 4.5-10.2 HA LEU 22 - HD2 ARG 23 far 5 94 5 - 4.2-8.2 HA LYS 26 - HD2 ARG 23 far 0 97 0 - 5.0-10.9 HA THR 25 - HD2 ARG 23 far 0 95 0 - 5.2-10.4 HA LYS 26 - HD3 ARG 23 far 0 97 0 - 5.3-11.5 HA LYS 19 - HD3 ARG 23 far 0 99 0 - 6.1-11.0 HA LYS 19 - HD2 ARG 23 far 0 98 0 - 6.1-11.8 HA ALA 16 - HD2 ARG 23 far 0 100 0 - 6.2-16.8 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.0-18.9 HA TYR 76 - HD2 ARG 90 far 0 47 0 - 7.2-12.2 HA ALA 16 - HD3 ARG 23 far 0 100 0 - 7.3-16.2 HA TYR 76 - HD3 ARG 90 far 0 50 0 - 7.8-11.5 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 7.8-18.1 HA LYS 31 - HD3 ARG 23 far 0 99 0 - 7.9-21.2 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 8.2-22.2 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 16 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 81 81 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 77 77 100 100 2.2-2.8 3.0=100 HB2 LYS 26 - HD3 ARG 23 far 5 99 5 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 98 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 89 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 97 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 98 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 98 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 73 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 97 0 - 6.8-12.6 HB ILE 80 - HD3 ARG 90 far 0 77 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 85 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 98 0 - 7.5-12.0 Violated in 0 structures by 0.00 A. Peak 473 from aliabs.peaks (1.82, 3.16, 42.99 ppm; 3.62 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-4.1 3.7=97, ~430=38...(18) HB3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=97, ~430=38...(18) HB2 LYS 86 - HD2 ARG 90 poor 13 59 45 48 2.6-7.9 ~11778=8, 9824/11304=8...(12) HB2 LYS 86 - HD3 ARG 90 poor 13 63 20 - 3.8-8.9 HB VAL 93 - HD3 ARG 90 far 9 87 10 - 3.6-6.6 HB VAL 93 - HD2 ARG 90 far 0 84 0 - 4.9-7.0 HB3 LYS 19 - HD2 ARG 23 far 0 96 0 - 5.0-11.5 HB3 LYS 24 - HD2 ARG 23 far 0 99 0 - 5.6-9.7 HB3 LYS 24 - HD3 ARG 23 far 0 100 0 - 5.8-9.7 HB3 LYS 31 - HD3 ARG 23 far 0 99 0 - 5.9-18.8 HB3 LYS 19 - HD3 ARG 23 far 0 97 0 - 5.9-10.8 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 6.2-14.0 HB3 LYS 31 - HD2 ARG 23 far 0 99 0 - 6.4-19.8 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 7.0-13.4 HB ILE 32 - HD2 ARG 23 far 0 98 0 - 7.1-24.3 HB ILE 32 - HD3 ARG 23 far 0 99 0 - 8.5-23.4 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 5 assignments used, quality = 1.00: * HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 22 - HD3 ARG 23 far 0 85 0 - 4.6-8.6 HB2 LEU 22 - HD2 ARG 23 far 0 84 0 - 6.3-8.9 HB3 LEU 42 - HD3 ARG 90 far 0 74 0 - 9.8-14.8 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 9 assignments used, quality = 1.00: * HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 22 - HD3 ARG 23 far 0 100 0 - 5.0-9.1 HG LEU 22 - HD3 ARG 23 far 0 100 0 - 5.9-10.8 HB3 LEU 22 - HD2 ARG 23 far 0 100 0 - 6.3-9.6 HD3 LYS 19 - HD2 ARG 23 far 0 62 0 - 6.3-13.1 HD3 LYS 19 - HD3 ARG 23 far 0 63 0 - 7.4-12.5 HG LEU 22 - HD2 ARG 23 far 0 100 0 - 7.7-10.6 HG LEU 70 - HD3 ARG 90 far 0 89 0 - 9.5-14.1 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 7 assignments used, quality = 1.00: * HB2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 26 - HA LYS 24 far 0 100 0 - 4.6-9.6 HB2 ARG 23 - HA LYS 24 far 0 99 0 - 5.0-6.2 HB2 LYS 31 - HA LYS 24 far 0 100 0 - 6.9-18.1 HG LEU 100 - HA ASN 59 far 0 50 0 - 8.3-10.9 HG13 ILE 129 - HA ASP 47 far 0 84 0 - 9.0-11.9 HB2 LYS 19 - HA LYS 24 far 0 100 0 - 9.3-15.1 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 10 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-2.9 502=100, 1.8/491=65...(28) HB3 LEU 103 - HA ASN 59 far 0 68 0 - 4.1-8.0 HB3 ARG 23 - HA LYS 24 far 0 100 0 - 4.7-5.6 HB3 LYS 26 - HA LYS 24 far 0 100 0 - 6.3-10.1 HB3 LYS 31 - HA LYS 24 far 0 100 0 - 6.6-19.1 HB ILE 32 - HA LYS 24 far 0 100 0 - 7.3-21.6 HB3 LYS 19 - HA LYS 24 far 0 99 0 - 8.4-13.6 HB2 LEU 100 - HA ASN 59 far 0 88 0 - 8.5-11.3 HB3 LEU 122 - HA ASN 59 far 0 61 0 - 8.6-11.0 HB3 LEU 122 - HA ASP 47 far 0 55 0 - 9.6-13.9 Violated in 4 structures by 0.01 A. Peak 483 from aliabs.peaks (1.38, 4.33, 56.43 ppm; 3.02 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-3.5 513=78, 1.8/484=57...(32) QB ALA 108 - HA ASN 59 far 0 91 0 - 4.2-9.2 QB ALA 110 - HA ASN 59 far 0 90 0 - 4.3-10.0 HG3 LYS 31 - HA LYS 24 far 0 98 0 - 4.7-20.7 QB ALA 109 - HA ASN 59 far 0 85 0 - 4.7-8.7 HG3 LYS 26 - HA LYS 24 far 0 100 0 - 5.0-9.3 QB ALA 28 - HA LYS 24 far 0 99 0 - 5.6-12.8 QB ALA 29 - HA LYS 24 far 0 100 0 - 7.2-14.5 QB ALA 21 - HA LYS 24 far 0 57 0 - 7.6-8.9 QB ALA 16 - HA LYS 24 far 0 92 0 - 9.1-16.2 HB3 LEU 100 - HA ASN 59 far 0 91 0 - 9.5-11.8 HB2 LEU 42 - HA ASP 47 far 0 84 0 - 9.6-10.4 Violated in 13 structures by 0.22 A. Peak 484 from aliabs.peaks (1.45, 4.33, 56.43 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-4.1 524=90, 1.8/483=81...(34) HG2 LYS 31 - HA LYS 24 far 0 98 0 - 4.7-20.3 HG2 LYS 26 - HA LYS 24 far 0 89 0 - 6.3-10.5 HG13 ILE 32 - HA LYS 24 far 0 85 0 - 6.3-19.3 HG3 LYS 19 - HA LYS 24 far 0 97 0 - 9.9-13.7 Violated in 14 structures by 0.21 A. Peak 485 from aliabs.peaks (1.66, 4.33, 56.43 ppm; 3.62 A): 3 out of 10 assignments used, quality = 0.99: HD3 LYS 24 + HA LYS 24 OK 94 99 95 100 2.1-4.5 3.0/483=66, 546=65...(32) HG LEU 62 + HA ASN 59 OK 70 78 90 100 3.0-4.6 2.1/9388=64, 2.1/9387=50...(21) * HD2 LYS 24 + HA LYS 24 OK 65 100 65 100 2.2-4.9 3.0/483=66, 3.0/484=60...(32) HD2 LYS 26 - HA LYS 24 far 5 100 5 - 4.5-11.7 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 4.7-21.6 HD2 LYS 31 - HA LYS 24 far 0 99 0 - 4.8-21.6 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 5.2-11.3 HB2 LEU 69 - HA ASP 47 far 0 78 0 - 8.1-10.5 HG LEU 43 - HA ASP 47 far 0 67 0 - 8.1-9.2 HB2 LEU 123 - HA ASP 47 far 0 76 0 - 8.9-11.4 Violated in 1 structures by 0.00 A. Peak 486 from aliabs.peaks (1.65, 4.33, 56.43 ppm; 3.62 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 24 + HA LYS 24 OK 95 100 95 100 2.1-4.5 546=67, 3.0/483=66...(32) HG LEU 62 + HA ASN 59 OK 79 88 90 100 3.0-4.6 2.1/9388=64, 2.1/9387=50...(21) HD2 LYS 24 + HA LYS 24 OK 59 99 60 100 2.2-4.9 3.0/483=66, 3.0/484=60...(32) HD2 LYS 26 - HA LYS 24 far 5 99 5 - 4.5-11.7 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 4.7-21.6 HD2 LYS 31 - HA LYS 24 far 0 100 0 - 4.8-21.6 HD3 LYS 26 - HA LYS 24 far 0 98 0 - 5.2-11.3 HB2 LEU 69 - HA ASP 47 far 0 84 0 - 8.1-10.5 HG LEU 43 - HA ASP 47 far 0 79 0 - 8.1-9.2 HB2 LEU 123 - HA ASP 47 far 0 83 0 - 8.9-11.4 Violated in 1 structures by 0.00 A. Peak 491 from aliabs.peaks (4.33, 1.74, 32.59 ppm; 3.04 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 24 - HB2 LYS 26 far 0 100 0 - 4.6-9.6 HA GLN 134 - HB2 LYS 39 far 0 35 0 - 5.0-8.1 HA2 GLY 75 - HB2 LYS 19 far 0 100 0 - 5.2-29.5 HA LYS 24 - HB2 LYS 31 far 0 100 0 - 6.9-18.1 HA PRO 81 - HB2 LYS 39 far 0 58 0 - 7.1-14.1 HA TYR 76 - HB2 LYS 39 far 0 38 0 - 7.4-9.7 HA TYR 76 - HB2 LYS 19 far 0 78 0 - 8.8-29.6 HA LYS 24 - HB2 LYS 19 far 0 100 0 - 9.3-15.1 HA ASP 131 - HB2 LYS 39 far 0 40 0 - 9.9-11.6 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 100 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 100 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 47 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 100 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 100 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.0-24.5 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 44 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-2.9 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 2.4-2.9 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 QB ALA 28 - HB2 LYS 31 far 10 98 10 - 4.2-8.2 HG3 LYS 31 - HB2 LYS 26 far 10 98 10 - 4.2-14.0 HG3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.5-10.3 QB ALA 15 - HB2 LYS 19 far 5 100 5 - 3.6-11.3 QB ALA 28 - HB2 LYS 19 far 5 99 5 - 3.2-16.4 QB ALA 28 - HB2 LYS 24 far 5 99 5 - 3.9-12.5 QB ALA 16 - HB2 LYS 19 far 5 92 5 - 4.4-8.5 QB ALA 16 - HB2 LYS 31 far 5 91 5 - 3.9-19.7 HB2 LEU 42 - HB2 LYS 39 far 0 57 0 - 4.9-6.2 QB ALA 12 - HB2 LYS 19 far 0 88 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 99 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 99 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 98 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 99 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 6.0-10.8 QB ALA 21 - HB2 LYS 19 far 0 57 0 - 6.1-6.7 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 6.3-10.0 QB ALA 29 - HB2 LYS 31 far 0 100 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 100 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 98 0 - 6.9-19.1 QB ALA 21 - HB2 LYS 24 far 0 57 0 - 7.4-9.5 QB ALA 21 - HB2 LYS 31 far 0 57 0 - 7.6-18.2 HG2 LYS 19 - HB2 LYS 26 far 0 99 0 - 8.3-18.2 HG2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 99 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 57 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 92 0 - 9.2-17.0 QB ALA 12 - HB2 LYS 31 far 0 88 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-18.8 QB ALA 21 - HB2 LYS 26 far 0 57 0 - 9.4-14.3 QB ALA 12 - HB2 LYS 26 far 0 89 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 92 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 99 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 495 from aliabs.peaks (1.45, 1.74, 32.59 ppm; 3.44 A): 5 out of 22 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.7-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 89 89 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 22 84 35 73 3.8-6.2 6345/809=40, ~10816=20...(10) HG2 LYS 31 - HB2 LYS 26 far 10 98 10 - 3.3-13.1 HG2 LYS 26 - HB2 LYS 31 far 4 88 5 - 4.2-12.5 HG13 ILE 32 - HB2 LYS 26 far 4 85 5 - 4.2-12.5 HG2 LYS 26 - HB2 LYS 24 far 0 89 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 100 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 98 0 - 5.8-19.4 HG13 ILE 32 - HB2 LYS 19 far 0 85 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 96 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 98 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 85 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 97 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 96 0 - 8.4-20.7 HG3 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.6-17.4 HG3 LYS 19 - HB2 LYS 24 far 0 97 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 88 0 - 9.3-19.5 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 38 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.0 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 1.9-4.1 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 44 44 100 100 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 42 44 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.8-12.9 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD3 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.6-14.8 HD2 LYS 31 - HB2 LYS 26 far 5 99 5 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.5-20.9 HD2 LYS 26 - HB2 LYS 31 lone 3 100 30 10 2.4-13.9 6347/809=5, 6335/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 100 25 7 2.6-13.4 6347/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 96 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 94 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 100 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 97 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 94 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 98 0 - 9.1-20.0 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 38 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-3.8 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 2.3-3.6 3.9=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.0 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 1.9-3.7 3.5=100 HG LEU 43 + HB2 LYS 39 OK 50 53 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 39 + HB2 LYS 39 OK 32 32 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 24 far 10 99 10 - 3.8-12.9 HD2 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.5-20.9 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD3 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.6-14.8 HD3 LYS 26 - HB2 LYS 24 far 5 98 5 - 3.3-12.3 HD2 LYS 26 - HB2 LYS 31 lone 3 99 30 10 2.4-13.9 6348/809=5, 6335/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 98 25 7 2.6-13.4 6348/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 98 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 98 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 98 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 98 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.1-20.0 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 39 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.9-4.8 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 2.0-4.7 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 35 35 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 35 35 100 100 3.6-5.3 4.9=100 HE2 LYS 26 - HB2 LYS 24 far 15 99 15 - 3.9-12.6 HE2 LYS 31 - HB2 LYS 26 far 15 99 15 - 6.3-15.1 HE2 LYS 26 - HB2 LYS 31 far 15 99 15 - 4.5-15.1 HE3 LYS 26 - HB2 LYS 31 far 15 98 15 - 3.2-14.2 HE3 LYS 26 - HB2 LYS 24 far 10 98 10 - 3.2-10.9 HE3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 5 100 5 - 5.7-16.4 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.6-19.1 HE2 LYS 31 - HB2 LYS 24 far 5 99 5 - 5.0-20.1 HE3 LYS 24 - HB2 LYS 26 far 5 99 5 - 6.0-13.1 HE3 LYS 24 - HB2 LYS 19 far 5 99 5 - 6.2-16.4 HE2 LYS 31 - HB2 LYS 19 far 5 99 5 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 0 99 0 - 7.6-13.8 HE3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 55 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 99 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 44 0 - 9.8-11.7 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 39 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 3.1-5.4 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.1-4.6 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 95 95 100 100 1.9-4.8 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 92 92 100 100 2.0-4.7 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 44 44 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 44 44 100 100 3.6-5.3 4.9=100 HE2 LYS 26 - HB2 LYS 31 poor 19 95 20 - 4.5-15.1 HE2 LYS 26 - HB2 LYS 24 far 14 96 15 - 3.9-12.6 HE2 LYS 31 - HB2 LYS 26 far 14 96 15 - 6.3-15.1 HE3 LYS 26 - HB2 LYS 31 far 14 91 15 - 3.2-14.2 HE3 LYS 24 - HB2 LYS 19 far 10 100 10 - 6.2-16.4 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 10 99 10 - 5.7-16.4 HE3 LYS 26 - HB2 LYS 24 far 9 92 10 - 3.2-10.9 HE3 LYS 24 - HB2 LYS 26 far 5 100 5 - 6.0-13.1 HE3 LYS 31 - HB2 LYS 24 far 5 99 5 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 26 far 5 99 5 - 6.8-14.2 HE3 LYS 19 - HB2 LYS 31 far 5 98 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 98 5 - 5.6-19.1 HE2 LYS 31 - HB2 LYS 24 far 5 96 5 - 5.0-20.1 HE2 LYS 31 - HB2 LYS 19 far 5 95 5 - 6.6-21.4 HE2 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 0 94 0 - 7.6-13.8 HE3 LYS 36 - HB2 LYS 26 far 0 94 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 95 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 98 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 50 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 94 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 98 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 94 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 98 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 51 0 - 9.8-11.7 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 9 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-2.9 3.0=100 HA2 GLY 75 - HB3 LYS 19 far 0 96 0 - 4.5-28.3 HA LYS 24 - HB3 LYS 26 far 0 100 0 - 6.3-10.1 HA LYS 24 - HB3 LYS 31 far 0 100 0 - 6.6-19.1 HA TYR 76 - HB3 LYS 19 far 0 72 0 - 7.8-29.8 HA LYS 24 - HB3 LYS 19 far 0 97 0 - 8.4-13.6 HA2 GLY 75 - HB2 LYS 36 far 0 80 0 - 8.7-13.8 HA TYR 76 - HB2 LYS 36 far 0 57 0 - 9.1-11.6 HA LEU 69 - HB2 LYS 36 far 0 62 0 - 9.4-13.2 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 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 3.4-9.6 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 94 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 99 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 100 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 97 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 81 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 81 0 - 9.0-24.5 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 46 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.7-3.0 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 2.7-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 80 80 100 100 2.9-3.0 3.0=100 QB ALA 28 - HB3 LYS 26 far 15 99 15 - 4.3-7.7 HG3 LYS 26 - HB3 LYS 24 far 10 100 10 - 3.4-9.5 HG3 LYS 31 - HB3 LYS 26 far 5 98 5 - 3.9-13.1 QB ALA 28 - HB3 LYS 19 far 5 94 5 - 2.9-15.3 QB ALA 16 - HB3 LYS 31 far 5 91 5 - 3.9-19.7 QB ALA 29 - HB2 LYS 36 far 0 81 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 98 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 99 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 86 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 96 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 83 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 100 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 100 0 - 5.5-10.5 QB ALA 21 - HB3 LYS 19 far 0 52 0 - 5.8-6.7 HG3 LYS 26 - HB3 LYS 31 far 0 99 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 93 0 - 6.4-17.5 QB ALA 21 - HB3 LYS 31 far 0 56 0 - 6.7-19.0 QB ALA 15 - HB3 LYS 31 far 0 99 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 100 0 - 6.7-8.0 QB ALA 21 - HB3 LYS 24 far 0 57 0 - 7.1-9.7 QB ALA 29 - HB3 LYS 24 far 0 100 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 98 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 100 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 69 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 77 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 80 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 100 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 88 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 78 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 99 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 92 0 - 9.6-20.2 QB ALA 21 - HB3 LYS 26 far 0 57 0 - 9.6-14.2 HB2 LEU 42 - HB2 LYS 36 far 0 81 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 89 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 506 from aliabs.peaks (1.45, 1.81, 32.59 ppm; 3.66 A): 5 out of 26 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-2.8 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-2.5 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 89 89 100 100 2.2-2.6 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.6-2.8 3.0=100 HG13 ILE 32 - HB3 LYS 26 far 13 85 15 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 10 98 10 - 3.1-12.9 HG2 LYS 26 - HB3 LYS 24 far 0 89 0 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 84 0 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 31 far 0 88 0 - 5.2-13.4 HG13 ILE 32 - HB3 LYS 19 far 0 79 0 - 5.4-19.7 HG2 LYS 31 - HB3 LYS 19 far 0 93 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 62 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 77 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 100 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 66 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 98 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 97 0 - 7.5-15.4 HG2 LYS 26 - HB3 LYS 19 far 0 83 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 97 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 85 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 97 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 96 0 - 8.7-13.8 HG3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.1-20.8 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 43 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.1-3.8 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 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 89 89 100 100 2.4-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-3.6 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 5 99 5 - 5.2-13.2 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 0 96 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 95 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 94 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 79 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 81 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 81 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 81 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 97 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 94 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 94 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 95 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.8-19.8 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 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 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.2-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.4-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 78 78 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 77 77 100 100 2.0-3.6 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 98 10 - 2.8-11.2 HD2 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.2-13.2 HD3 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.0-13.1 HD2 LYS 26 - HB3 LYS 31 far 5 99 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 5 97 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 97 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 81 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 98 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 79 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 95 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 93 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 77 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 80 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 94 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 98 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 97 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 93 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 94 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 100 0 - 9.8-19.8 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 44 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.6-5.3 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.9-5.2 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 3.5-5.4 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.4-4.7 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 79 79 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 79 79 100 100 3.2-4.6 4.9=100 HE2 LYS 31 - HB3 LYS 26 poor 20 99 20 - 5.9-13.4 HE2 LYS 26 - HB3 LYS 24 far 15 99 15 - 2.3-11.2 HE3 LYS 31 - HB3 LYS 19 far 15 97 15 - 4.9-20.5 HE2 LYS 31 - HB3 LYS 19 far 14 95 15 - 6.1-19.6 HE3 LYS 31 - HB3 LYS 26 far 10 100 10 - 6.8-13.2 HE3 LYS 26 - HB3 LYS 24 far 10 98 10 - 2.2-9.7 HE2 LYS 24 - HB3 LYS 19 far 10 97 10 - 6.3-15.6 HE3 LYS 31 - HB2 LYS 36 far 8 81 10 - 6.7-12.2 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.6-21.1 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.4-20.0 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.0-21.5 HE2 LYS 26 - HB3 LYS 31 far 5 99 5 - 6.0-15.4 HE3 LYS 26 - HB3 LYS 31 far 5 97 5 - 4.8-15.1 HE3 LYS 24 - HB3 LYS 19 far 5 95 5 - 5.9-15.4 HE2 LYS 26 - HB3 LYS 19 far 5 95 5 - 6.7-19.5 HE2 LYS 26 - HB2 LYS 36 far 4 79 5 - 6.2-21.1 HE3 LYS 26 - HB2 LYS 36 far 4 77 5 - 6.2-21.3 HE3 LYS 24 - HB3 LYS 26 far 0 99 0 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 0 79 0 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 99 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 93 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 64 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 81 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 100 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 100 0 - 10.0-19.9 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 44 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.9-5.2 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.4-5.3 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.4-4.7 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 3.5-5.4 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 72 72 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 72 72 100 100 3.2-4.6 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 19 95 20 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 14 92 15 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 14 90 15 - 6.1-19.6 HE3 LYS 24 - HB3 LYS 19 far 10 97 10 - 5.9-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 95 10 - 6.3-15.6 HE2 LYS 26 - HB3 LYS 31 far 9 95 10 - 6.0-15.4 HE3 LYS 26 - HB3 LYS 31 far 9 91 10 - 4.8-15.1 HE3 LYS 31 - HB2 LYS 36 far 8 79 10 - 6.7-12.2 HE3 LYS 24 - HB3 LYS 26 far 5 100 5 - 7.0-14.0 HE3 LYS 24 - HB3 LYS 31 far 5 100 5 - 7.5-21.6 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 19 - HB3 LYS 24 far 5 98 5 - 7.3-17.6 HE3 LYS 19 - HB3 LYS 31 far 5 97 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 97 5 - 5.4-20.0 HE2 LYS 31 - HB3 LYS 24 far 5 96 5 - 5.0-21.5 HE2 LYS 26 - HB3 LYS 19 far 5 90 5 - 6.7-19.5 HE2 LYS 26 - HB2 LYS 36 far 4 73 5 - 6.2-21.1 HE2 LYS 31 - HB2 LYS 36 far 4 73 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 3 69 5 - 6.2-21.3 HE2 LYS 26 - HB3 LYS 24 lone 3 96 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 96 35 8 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 31 - HB3 LYS 26 lone 2 99 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 86 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 73 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 77 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 98 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 94 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 98 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 94 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 89 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 94 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 98 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 513 from aliabs.peaks (4.33, 1.38, 24.61 ppm; 3.27 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-3.5 483=100, 484/1.8=67...(33) HA LYS 24 - HG3 LYS 31 far 0 93 0 - 4.7-20.7 HA2 GLY 75 - HG2 LYS 19 far 0 96 0 - 4.9-30.5 HA LYS 24 - HG3 LYS 26 far 0 98 0 - 5.0-9.3 HA LEU 69 - HG2 LYS 36 far 0 56 0 - 8.1-11.9 HA TYR 76 - HG2 LYS 36 far 0 50 0 - 8.6-10.9 HA2 GLY 75 - HG3 LYS 26 far 0 97 0 - 9.0-27.0 HA TYR 76 - HG2 LYS 19 far 0 72 0 - 9.3-31.7 HA2 GLY 75 - HG2 LYS 36 far 0 73 0 - 9.4-12.7 Violated in 10 structures by 0.07 A. Peak 514 from aliabs.peaks (1.74, 1.38, 24.61 ppm; 3.67 A): 4 out of 23 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-2.9 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 2.4-2.9 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.4-3.0 3.0=100 HB2 ARG 23 - HG3 LYS 26 far 10 95 10 - 4.1-11.6 HB2 LYS 26 - HG3 LYS 31 far 9 93 10 - 4.2-14.0 HB2 ARG 23 - HG2 LYS 24 far 5 99 5 - 4.5-7.5 HB2 LYS 24 - HG3 LYS 26 far 5 98 5 - 3.5-10.3 HB2 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 94 0 - 5.5-9.9 HB2 LYS 19 - HG3 LYS 31 far 0 93 0 - 6.0-18.8 HB2 LYS 26 - HG2 LYS 24 far 0 100 0 - 6.0-10.8 HB2 ARG 23 - HG3 LYS 31 far 0 90 0 - 6.0-20.0 HB2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 100 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 93 0 - 6.9-19.1 HB2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 74 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 97 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 58 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.4-18.8 HB2 LYS 26 - HG2 LYS 36 far 0 74 0 - 9.9-20.9 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 2.7-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.7-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 95 95 100 100 2.7-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 73 73 100 100 2.9-3.0 3.0=100 HB3 LYS 24 - HG3 LYS 26 far 10 98 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 10 97 10 - 2.4-11.0 HB3 LYS 26 - HG3 LYS 31 far 5 93 5 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 0 93 0 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 0 93 0 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 97 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 100 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 98 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 99 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 91 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 96 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 73 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 96 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 93 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 100 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 97 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 96 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 93 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 97 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 100 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 61 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 74 0 - 9.9-14.8 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 26 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 84 84 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 67 67 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 8 80 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 4 75 5 - 3.1-8.2 HG2 LYS 26 - HG3 LYS 31 far 0 78 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 94 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.2-11.1 HG2 LYS 31 - HG2 LYS 24 far 0 98 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 93 0 - 6.4-19.9 HG13 ILE 32 - HG2 LYS 19 far 0 79 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 89 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 56 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 93 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 69 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 89 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 83 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 93 0 - 8.1-21.8 HG3 LYS 36 - HG3 LYS 31 far 0 87 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 85 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 94 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 59 0 - 9.0-22.2 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 43 assignments used, quality = 1.00: * HD2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.4-2.9 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 2.4-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 74 74 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 93 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 93 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 96 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 95 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 98 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 87 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 97 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 74 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 95 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 90 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 96 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 74 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 98 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 85 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 72 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 93 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 73 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 93 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 97 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 95 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 58 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 58 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 94 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 93 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 519 from aliabs.peaks (1.65, 1.38, 24.61 ppm; 3.41 A): 10 out of 43 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.4-2.9 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 2.3-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 90 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 92 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 96 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 98 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 95 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 93 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 95 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 93 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 97 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 72 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 93 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 98 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 100 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 69 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 94 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 92 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 74 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 90 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 72 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 90 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 95 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 94 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 69 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 43 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 97 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 90 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 520 from aliabs.peaks (2.95, 1.38, 24.61 ppm; 4.12 A): 10 out of 42 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-4.2 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 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.7-4.1 3.8=100 HE2 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 94 94 100 100 2.0-4.1 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.1-3.9 3.7=100 HE2 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.2-4.0 4.0=100 HE3 LYS 31 - HG2 LYS 24 far 5 100 5 - 4.3-21.5 HE2 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.0-21.2 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 5 98 5 - 4.7-11.5 HE3 LYS 24 - HG3 LYS 26 far 5 96 5 - 4.3-13.1 HE3 LYS 26 - HG3 LYS 31 far 0 90 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 96 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 93 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 92 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 93 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 58 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 95 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 69 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 93 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 92 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 72 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 95 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 95 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 93 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 100 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 74 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 91 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 72 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 91 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 47 0 - 9.9-17.4 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 42 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 2.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 93 93 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 93 93 100 100 2.7-4.1 3.8=100 HE3 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 91 91 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 87 87 100 100 2.0-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.1-3.9 3.7=100 HE2 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.2-4.0 4.0=100 HE3 LYS 31 - HG2 LYS 24 far 5 99 5 - 4.3-21.5 HE3 LYS 24 - HG3 LYS 26 far 5 98 5 - 4.3-13.1 HE2 LYS 24 - HG3 LYS 26 far 5 96 5 - 5.9-12.5 HE2 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.0-21.2 HE2 LYS 26 - HG2 LYS 24 far 5 96 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 5 92 5 - 4.7-11.5 HE2 LYS 31 - HG3 LYS 26 far 5 91 5 - 5.7-14.7 HE3 LYS 19 - HG3 LYS 31 far 4 90 5 - 6.2-20.2 HE3 LYS 26 - HG3 LYS 31 far 4 82 5 - 5.2-15.5 HE2 LYS 26 - HG3 LYS 31 far 0 86 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 92 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 96 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 66 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 90 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 95 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 95 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 62 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 90 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 93 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 66 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 90 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 86 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 98 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 72 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 85 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 66 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 85 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 90 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 98 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 90 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 58 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 524 from aliabs.peaks (4.33, 1.45, 24.61 ppm; 3.50 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.4-4.1 484=100, 483/1.8=84...(34) HA2 GLY 75 - HG3 LYS 19 far 4 89 5 - 3.2-29.6 HA LYS 24 - HG2 LYS 31 far 0 93 0 - 4.7-20.3 HA LYS 24 - HG2 LYS 26 far 0 68 0 - 6.3-10.5 HA TYR 76 - HG3 LYS 19 far 0 65 0 - 7.5-31.7 HA LEU 69 - HG3 LYS 36 far 0 46 0 - 8.5-12.7 HA TYR 76 - HG3 LYS 36 far 0 41 0 - 8.8-11.8 HA2 GLY 75 - HG2 LYS 26 far 0 67 0 - 8.9-26.8 HA LYS 24 - HG3 LYS 19 far 0 90 0 - 9.9-13.7 Violated in 9 structures by 0.14 A. Peak 525 from aliabs.peaks (1.74, 1.45, 24.61 ppm; 3.95 A): 4 out of 22 assignments used, quality = 1.00: * HB2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.7-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HG2 LYS 26 poor 14 68 20 - 4.2-12.5 HB2 LYS 26 - HG2 LYS 31 far 9 93 10 - 3.3-13.1 HB2 ARG 23 - HG2 LYS 26 far 6 65 10 - 3.3-12.5 HB2 ARG 23 - HG2 LYS 31 far 0 90 0 - 5.0-19.9 HB2 LYS 24 - HG2 LYS 26 far 0 68 0 - 5.1-11.3 HB2 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 87 0 - 5.6-9.7 HB2 LYS 19 - HG2 LYS 31 far 0 93 0 - 5.8-19.4 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 6.2-8.2 HB2 LYS 31 - HG3 LYS 36 far 0 62 0 - 7.3-13.4 HB2 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 100 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 90 0 - 7.7-18.0 HB2 LYS 26 - HG3 LYS 36 far 0 62 0 - 8.4-20.7 HB2 LYS 31 - HG3 LYS 19 far 0 90 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 68 0 - 9.3-19.5 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 29 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-2.8 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.2-2.5 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-2.6 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 61 61 100 100 2.6-2.8 3.0=100 HB3 LYS 26 - HG2 LYS 31 far 9 93 10 - 3.1-12.9 HB ILE 32 - HG2 LYS 26 far 7 67 10 - 4.2-14.8 HB3 ARG 23 - HG2 LYS 26 far 7 67 10 - 2.9-12.1 HB3 ARG 23 - HG2 LYS 31 far 5 93 5 - 4.3-19.5 HB3 LYS 24 - HG2 LYS 26 far 0 68 0 - 4.7-10.8 HB3 LYS 31 - HG2 LYS 26 far 0 68 0 - 5.2-13.4 HB ILE 32 - HG3 LYS 36 far 0 61 0 - 5.4-9.2 HB3 ARG 23 - HG3 LYS 24 far 0 100 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 91 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 90 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 89 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 93 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 93 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 99 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 67 0 - 7.1-19.6 HB3 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 90 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 65 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 90 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 90 0 - 8.6-17.8 HB3 LYS 31 - HG3 LYS 36 far 0 62 0 - 8.7-13.8 HB3 LYS 26 - HG3 LYS 36 far 0 62 0 - 9.1-20.8 Violated in 0 structures by 0.00 A. Peak 527 from aliabs.peaks (1.38, 1.45, 24.61 ppm; 2.50 A): 5 out of 45 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 88 88 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 66 66 100 100 1.8-1.8 1.8=100 HG2 LYS 36 + HG3 LYS 36 OK 61 61 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 26 far 6 65 10 - 3.2-8.8 QB ALA 16 - HG2 LYS 31 far 4 82 5 - 2.7-21.2 QB ALA 16 - HG3 LYS 19 far 0 78 0 - 3.7-9.6 QB ALA 29 - HG2 LYS 26 far 0 68 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 87 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 64 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 89 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 92 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 92 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 75 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 99 0 - 5.3-14.6 QB ALA 21 - HG3 LYS 19 far 0 46 0 - 5.3-6.8 QB ALA 21 - HG2 LYS 31 far 0 49 0 - 5.4-20.5 QB ALA 29 - HG3 LYS 36 far 0 62 0 - 5.8-12.8 QB ALA 21 - HG3 LYS 24 far 0 57 0 - 6.0-8.5 HG2 LYS 24 - HG2 LYS 31 far 0 93 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 90 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 92 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 93 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 90 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 100 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 68 0 - 7.3-11.8 HG3 LYS 26 - HG3 LYS 36 far 0 60 0 - 7.5-21.1 HG2 LYS 36 - HG2 LYS 31 far 0 93 0 - 7.6-15.4 HG3 LYS 31 - HG3 LYS 19 far 0 86 0 - 8.0-19.1 QB ALA 21 - HG2 LYS 26 far 0 32 0 - 8.0-14.9 HG2 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 66 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 98 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 99 0 - 8.1-44.1 HG3 LYS 31 - HG3 LYS 36 far 0 58 0 - 8.4-13.8 HB2 LEU 42 - HG3 LYS 36 far 0 61 0 - 8.7-12.2 HG3 LYS 26 - HG3 LYS 19 far 0 89 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 99 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 67 0 - 9.0-22.2 QB ALA 16 - HG3 LYS 24 far 0 92 0 - 9.6-16.6 QB ALA 28 - HG3 LYS 36 far 0 59 0 - 9.7-14.3 QB ALA 12 - HG3 LYS 24 far 0 89 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 100 0 - 9.9-18.6 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 39 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 2.6-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 81 81 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.3-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-3.0 2.9=100 HD3 LYS 36 + HG3 LYS 36 OK 62 62 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 62 62 100 100 2.3-2.9 3.0=100 HD3 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.9-13.0 HD3 LYS 26 - HG2 LYS 31 far 5 93 5 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 0 93 0 - 4.4-16.1 HD3 LYS 31 - HG2 LYS 26 far 0 67 0 - 5.4-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 62 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 19 far 0 90 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 66 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 90 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 90 0 - 6.4-20.6 HD3 LYS 26 - HG3 LYS 36 far 0 62 0 - 6.6-22.6 HD2 LYS 36 - HG2 LYS 26 far 0 68 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 87 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 93 0 - 7.0-13.1 HD2 LYS 31 - HG3 LYS 36 far 0 60 0 - 7.0-14.5 HD3 LYS 31 - HG3 LYS 36 far 0 61 0 - 7.2-14.6 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 65 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 68 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 88 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 99 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 68 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 90 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 85 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 93 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 59 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 97 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 90 0 - 9.9-15.8 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 39 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 89 89 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 66 66 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 64 64 100 100 2.3-2.9 2.9=100 HD3 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 58 58 100 100 2.3-2.9 3.0=100 HD2 LYS 26 - HG3 LYS 24 far 5 99 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 5 98 5 - 3.7-12.6 HD3 LYS 26 - HG2 LYS 31 far 4 90 5 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 0 92 0 - 4.4-16.1 HD3 LYS 31 - HG2 LYS 26 far 0 66 0 - 5.4-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 60 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 19 far 0 86 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 68 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 89 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.4-20.6 HD3 LYS 26 - HG3 LYS 36 far 0 58 0 - 6.6-22.6 HD2 LYS 36 - HG2 LYS 26 far 0 64 0 - 6.9-21.0 HD2 LYS 19 - HG2 LYS 31 far 0 93 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 90 0 - 7.0-13.1 HD2 LYS 31 - HG3 LYS 36 far 0 62 0 - 7.0-14.5 HD3 LYS 31 - HG3 LYS 36 far 0 60 0 - 7.2-14.6 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 68 0 - 7.5-13.0 HD2 LYS 24 - HG2 LYS 31 far 0 90 0 - 7.5-22.6 HD3 LYS 36 - HG2 LYS 26 far 0 65 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 90 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 65 0 - 7.9-13.6 HD3 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 92 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 90 0 - 8.4-14.7 HD3 LYS 19 - HG2 LYS 26 far 0 66 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 87 0 - 9.9-15.8 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 41 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.0-4.2 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 2.2-4.2 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 2.3-4.2 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 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.5-3.9 4.0=100 HE2 LYS 26 - HG3 LYS 24 far 5 99 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 5 98 5 - 4.4-11.8 HE3 LYS 26 - HG2 LYS 31 far 4 90 5 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 24 far 0 99 0 - 5.6-22.4 HE3 LYS 26 - HG3 LYS 36 far 0 58 0 - 5.6-23.2 HE3 LYS 24 - HG2 LYS 26 far 0 66 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 100 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 92 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 36 far 0 60 0 - 6.2-22.9 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 66 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 90 0 - 6.7-20.3 HB2 CYS 45 - HG3 LYS 36 far 0 47 0 - 7.0-11.9 HE2 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 93 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 88 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 68 0 - 7.1-13.9 HE3 LYS 31 - HG3 LYS 36 far 0 62 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 60 0 - 7.2-12.8 HE3 LYS 31 - HG2 LYS 26 far 0 68 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 92 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 91 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 91 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 93 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 86 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 88 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 65 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 65 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 67 0 - 9.8-20.6 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 41 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.1-4.0 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 2.2-4.2 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 2.3-4.2 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 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 54 54 100 100 2.5-3.9 4.0=100 HE2 LYS 26 - HG3 LYS 24 far 10 96 10 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 9 92 10 - 4.4-11.8 HE2 LYS 26 - HG2 LYS 31 far 9 86 10 - 6.0-16.7 HE3 LYS 26 - HG2 LYS 31 far 8 82 10 - 4.3-16.8 HE2 LYS 31 - HG2 LYS 26 far 6 61 10 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 24 far 5 99 5 - 5.9-22.5 HE2 LYS 31 - HG3 LYS 24 far 5 96 5 - 5.6-22.4 HE3 LYS 31 - HG3 LYS 19 far 4 88 5 - 6.7-20.3 HE2 LYS 26 - HG3 LYS 19 far 4 83 5 - 6.4-20.1 HE3 LYS 24 - HG2 LYS 26 far 3 68 5 - 5.7-14.5 HE2 LYS 26 - HG3 LYS 36 far 3 55 5 - 6.2-22.9 HE3 LYS 26 - HG3 LYS 36 far 3 51 5 - 5.6-23.2 HB2 CYS 45 - HG3 LYS 36 far 0 55 0 - 7.0-11.9 HE2 LYS 24 - HG2 LYS 31 far 0 92 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 90 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 83 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 66 0 - 7.1-13.9 HE3 LYS 31 - HG3 LYS 36 far 0 60 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 55 0 - 7.2-12.8 HE3 LYS 31 - HG2 LYS 26 far 0 66 0 - 7.4-14.5 HE3 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 85 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 85 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 90 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 88 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 78 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 59 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 98 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 59 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 64 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 535 from aliabs.peaks (4.33, 1.66, 28.74 ppm; 3.46 A): 2 out of 20 assignments used, quality = 0.95: HA LYS 24 + HD3 LYS 24 OK 91 96 95 100 2.1-4.5 483/3.0=61, 484/3.0=55...(32) * HA LYS 24 + HD2 LYS 24 OK 50 100 50 100 2.2-4.9 483/3.0=61, 484/3.0=55...(32) HA2 GLY 75 - HD3 LYS 19 far 4 81 5 - 4.1-31.9 HA LYS 24 - HD2 LYS 26 far 0 95 0 - 4.5-11.7 HA LYS 24 - HD3 LYS 31 far 0 95 0 - 4.7-21.6 HA LYS 24 - HD2 LYS 31 far 0 92 0 - 4.8-21.6 HA LYS 24 - HD3 LYS 26 far 0 95 0 - 5.2-11.3 HA2 GLY 75 - HD2 LYS 19 far 0 87 0 - 5.2-30.8 HA CYS 125 - HD3 LYS 95 far 0 51 0 - 5.4-9.3 HA CYS 125 - HD2 LYS 95 far 0 47 0 - 5.7-9.3 HA2 GLY 75 - HD3 LYS 36 far 0 100 0 - 7.2-12.0 HA TYR 76 - HD3 LYS 36 far 0 78 0 - 7.3-10.2 HA2 GLY 75 - HD2 LYS 36 far 0 100 0 - 7.6-13.6 HA LEU 69 - HD2 LYS 36 far 0 85 0 - 7.7-11.5 HA LEU 69 - HD3 LYS 36 far 0 85 0 - 7.9-10.7 HA TYR 76 - HD2 LYS 36 far 0 78 0 - 8.1-11.9 HA TYR 76 - HD3 LYS 19 far 0 57 0 - 8.7-32.5 HA2 GLY 75 - HD3 LYS 26 far 0 95 0 - 8.9-28.7 HA TYR 76 - HD2 LYS 19 far 0 62 0 - 9.5-32.0 HA2 GLY 75 - HD2 LYS 26 far 0 94 0 - 9.8-29.0 Violated in 10 structures by 0.18 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 3.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 1.9-4.1 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 1.9-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.0-4.0 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.0-4.0 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 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.3-3.6 3.9=100 HB2 ARG 23 - HD2 LYS 24 far 10 99 10 - 5.4-10.0 HB2 LYS 24 - HD2 LYS 26 far 10 95 10 - 3.8-12.9 HB2 ARG 23 - HD3 LYS 24 far 9 93 10 - 4.6-9.3 HB2 LYS 24 - HD3 LYS 26 far 5 95 5 - 3.3-12.3 HB2 LYS 19 - HD3 LYS 31 far 5 95 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 5 95 5 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 26 far 5 93 5 - 5.5-13.8 HB2 ARG 23 - HD2 LYS 26 far 5 92 5 - 4.1-14.0 HB2 LYS 26 - HD2 LYS 31 far 5 92 5 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 5 92 5 - 5.5-20.9 HB2 LYS 31 - HD2 LYS 26 lone 3 95 30 9 2.4-13.9 809/6347=5, 6331/6335=2 HB2 LYS 31 - HD3 LYS 26 lone 2 95 25 7 2.6-13.4 809/6348=4 HB2 ARG 23 - HD3 LYS 31 far 0 92 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 89 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 88 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 96 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 79 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 92 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 82 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 95 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 100 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 100 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 84 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 80 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 88 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 100 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 83 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 95 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 96 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 85 0 - 8.6-11.4 HB2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 88 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 100 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 96 0 - 9.1-20.0 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 67 assignments used, quality = 1.00: * HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=93, 482/5.4=26...(39) HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=95, 1.8/1031=36...(79) HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=95, 1.8/1031=36...(79) HB3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=93, 482/535=36...(39) HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-4.2 3.5=95, 6251/5.7=21...(77) HB3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-4.0 3.5=95, 6251/5.7=21...(77) HB3 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.0-4.2 3.5=96, 6332/6.2=18...(71) HB3 LYS 31 + HD2 LYS 31 OK 91 92 100 100 2.1-3.8 3.5=96, 6332/6335=19...(71) HB3 LYS 19 + HD2 LYS 19 OK 84 85 100 98 2.9-3.9 3.9=67, 6150/6.2=11...(77) HB3 LYS 19 + HD3 LYS 19 OK 78 79 100 98 2.4-4.2 3.9=67, 6150/6.2=11...(79) HB3 LYS 24 - HD2 LYS 26 far 10 95 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 5 95 5 - 2.8-11.2 HB3 LYS 31 - HD3 LYS 26 far 5 95 5 - 3.8-14.8 HB3 LYS 31 - HD2 LYS 26 far 5 95 5 - 3.5-15.2 HB3 ARG 23 - HD2 LYS 26 far 5 94 5 - 4.3-13.4 HB3 LYS 19 - HD3 LYS 31 far 5 92 5 - 4.3-19.1 HB ILE 32 - HD2 LYS 26 far 0 95 0 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 0 94 0 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 0 100 0 - 4.6-8.0 HB ILE 32 - HD3 LYS 26 far 0 95 0 - 4.8-14.9 HB3 ARG 23 - HD3 LYS 26 far 0 95 0 - 4.9-13.2 HB ILE 32 - HD2 LYS 31 far 0 91 0 - 4.9-9.0 HB3 LYS 26 - HD3 LYS 31 far 0 95 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 95 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 100 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 88 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 89 0 - 6.0-19.2 HB VAL 93 - HD3 LYS 95 far 0 77 0 - 6.0-8.5 HB VAL 93 - HD2 LYS 95 far 0 72 0 - 6.2-8.6 HB3 LYS 31 - HD3 LYS 19 far 0 82 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 94 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 91 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 91 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 93 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 93 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 95 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 94 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 95 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 92 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 95 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 81 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 87 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 93 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 95 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 96 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 99 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 82 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 99 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 82 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 90 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 87 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 54 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 58 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 90 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 9.8-24.4 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 103 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 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.4-2.9 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 2.4-3.0 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 2.3-3.0 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 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 75 75 100 100 2.4-3.0 2.9=100 QB ALA 15 - HD2 LYS 19 poor 17 87 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 8 81 10 - 3.1-10.4 QB ALA 16 - HD2 LYS 19 far 8 76 10 - 2.3-9.2 QB ALA 29 - HD2 LYS 26 far 5 95 5 - 4.1-12.5 HG3 LYS 31 - HD3 LYS 26 far 5 92 5 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 91 5 - 3.7-21.3 QB ALA 28 - HD2 LYS 19 far 4 84 5 - 3.8-16.2 QB ALA 16 - HD3 LYS 31 far 4 83 5 - 4.1-20.4 QB ALA 16 - HD2 LYS 31 far 4 80 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 19 lone 0 70 30 2 2.4-9.7 QB ALA 29 - HD3 LYS 26 far 0 95 0 - 4.6-11.8 QB ALA 28 - HD2 LYS 26 far 0 92 0 - 4.6-9.5 QB ALA 28 - HD3 LYS 19 far 0 79 0 - 4.7-17.0 HG3 LYS 31 - HD2 LYS 26 far 0 91 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 95 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 94 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 93 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 92 0 - 5.4-10.1 QB ALA 21 - HD2 LYS 24 far 0 57 0 - 5.4-10.5 QB ALA 21 - HD3 LYS 19 far 0 40 0 - 5.5-8.6 HG2 LYS 19 - HD3 LYS 31 far 0 93 0 - 5.6-20.4 QB ALA 21 - HD2 LYS 19 far 0 44 0 - 5.6-8.3 HG2 LYS 24 - HD3 LYS 31 far 0 95 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 92 0 - 5.8-10.1 QB ALA 21 - HD3 LYS 24 far 0 51 0 - 5.9-10.6 QB ALA 12 - HD3 LYS 19 far 0 67 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 89 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 72 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 95 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 92 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 82 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 93 0 - 6.3-14.0 QB ALA 21 - HD3 LYS 31 far 0 50 0 - 6.4-19.1 HG2 LYS 19 - HD2 LYS 26 far 0 94 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 94 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 99 0 - 6.6-15.0 QB ALA 21 - HD2 LYS 26 far 0 50 0 - 6.6-15.8 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 94 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 65 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 94 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 87 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 60 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 92 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 91 0 - 7.5-14.9 QB ALA 21 - HD2 LYS 31 far 0 47 0 - 7.5-19.4 QB ALA 29 - HD2 LYS 19 far 0 88 0 - 7.6-18.2 QB ALA 21 - HD3 LYS 26 far 0 51 0 - 7.8-16.0 QB ALA 110 - HD2 LYS 24 far 0 99 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 88 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 100 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 78 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 91 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 80 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 98 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 82 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 100 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 81 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 98 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 94 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 92 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 84 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 92 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 77 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 99 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 84 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 99 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 80 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 92 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 84 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 94 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 94 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 98 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 95 0 - 10.0-20.6 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 51 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 + HD3 LYS 36 OK 91 97 100 94 2.2-3.0 3.0=85, 3.0/1031=18...(21) HG3 LYS 36 + HD2 LYS 36 OK 91 96 100 94 2.3-2.9 3.0=85, 3.0/1031=18...(21) HG3 LYS 24 + HD3 LYS 24 OK 89 96 100 93 2.6-3.0 3.0=86, 484/535=20...(16) HG2 LYS 31 + HD3 LYS 31 OK 84 91 100 92 2.3-3.0 2.9=89, 822/5.2=6...(14) HG2 LYS 31 + HD2 LYS 31 OK 81 88 100 92 2.2-3.0 2.9=89, 5.0/6335=7...(14) HG2 LYS 26 + HD3 LYS 26 OK 77 81 100 96 2.3-2.9 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 2.3-3.0 3.0=87, 6152/6.2=6...(23) HG3 LYS 19 + HD3 LYS 19 OK 71 77 100 92 2.4-3.0 3.0=87, 6152/6.2=6...(23) HG13 ILE 32 - HD2 LYS 26 far 8 77 10 - 3.0-13.6 HG13 ILE 32 - HD3 LYS 31 far 8 76 10 - 3.4-9.5 HG3 LYS 24 - HD3 LYS 26 far 5 95 5 - 3.7-12.6 HG13 ILE 32 - HD3 LYS 26 far 4 77 5 - 3.5-12.7 HG13 ILE 32 - HD2 LYS 31 far 4 73 5 - 3.7-8.9 QB ALA 92 - HD3 LYS 95 far 4 71 5 - 3.6-6.7 QB ALA 92 - HD2 LYS 95 far 0 65 0 - 3.8-6.7 HG2 LYS 31 - HD3 LYS 26 far 0 92 0 - 3.8-15.2 HG3 LYS 24 - HD2 LYS 26 far 0 95 0 - 3.9-13.0 HG2 LYS 31 - HD2 LYS 26 far 0 91 0 - 4.4-16.1 HG2 LYS 26 - HD3 LYS 31 far 0 80 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 89 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 85 0 - 5.5-10.0 HG3 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 77 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.6 HG3 LYS 36 - HD3 LYS 26 far 0 90 0 - 6.6-22.6 HG2 LYS 26 - HD2 LYS 36 far 0 89 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 98 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 85 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 89 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 95 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 81 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 98 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 89 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 92 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 89 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 92 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 77 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 78 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 98 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 69 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 63 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 67 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 88 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 85 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 97 0 - 9.9-15.8 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 89 assignments used, quality = 1.00: * HE2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 94 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 99 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 98 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 98 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 100 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 99 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 98 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 95 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 99 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 88 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 93 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 90 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 91 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 94 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 95 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 99 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 88 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 88 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 87 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 87 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 89 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 93 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 86 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 89 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 80 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 93 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 93 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 93 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 95 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 95 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 80 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 92 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 93 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 86 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 54 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 80 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 58 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 100 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 78 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 543 from aliabs.peaks (2.94, 1.66, 28.74 ppm; 4.07 A): 20 out of 87 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 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 2.2-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 5 95 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 5 95 5 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 5 94 5 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 94 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 84 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 96 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 89 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 90 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 96 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 93 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 96 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 80 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 94 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 95 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 89 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 92 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 83 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 88 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 94 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 96 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 96 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 86 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 86 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 88 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 96 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 96 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 88 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 88 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 98 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 98 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 92 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 86 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 83 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 80 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 92 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 74 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 96 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 80 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 80 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 87 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 87 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 98 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 74 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 86 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 98 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 80 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 92 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 70 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 546 from aliabs.peaks (4.33, 1.65, 28.74 ppm; 3.46 A): 2 out of 20 assignments used, quality = 0.97: * HA LYS 24 + HD3 LYS 24 OK 95 100 95 100 2.1-4.5 483/3.0=61, 484/3.0=55...(32) HA LYS 24 + HD2 LYS 24 OK 48 96 50 100 2.2-4.9 483/3.0=61, 484/3.0=55...(32) HA2 GLY 75 - HD3 LYS 19 far 5 97 5 - 4.1-31.9 HA LYS 24 - HD2 LYS 26 far 0 92 0 - 4.5-11.7 HA LYS 24 - HD3 LYS 31 far 0 93 0 - 4.7-21.6 HA LYS 24 - HD2 LYS 31 far 0 95 0 - 4.8-21.6 HA LYS 24 - HD3 LYS 26 far 0 87 0 - 5.2-11.3 HA2 GLY 75 - HD2 LYS 19 far 0 98 0 - 5.2-30.8 HA CYS 125 - HD3 LYS 95 far 0 48 0 - 5.4-9.3 HA CYS 125 - HD2 LYS 95 far 0 52 0 - 5.7-9.3 HA2 GLY 75 - HD3 LYS 36 far 0 95 0 - 7.2-12.0 HA TYR 76 - HD3 LYS 36 far 0 71 0 - 7.3-10.2 HA2 GLY 75 - HD2 LYS 36 far 0 93 0 - 7.6-13.6 HA LEU 69 - HD2 LYS 36 far 0 75 0 - 7.7-11.5 HA LEU 69 - HD3 LYS 36 far 0 77 0 - 7.9-10.7 HA TYR 76 - HD2 LYS 36 far 0 69 0 - 8.1-11.9 HA TYR 76 - HD3 LYS 19 far 0 74 0 - 8.7-32.5 HA2 GLY 75 - HD3 LYS 26 far 0 86 0 - 8.9-28.7 HA TYR 76 - HD2 LYS 19 far 0 75 0 - 9.5-32.0 HA2 GLY 75 - HD2 LYS 26 far 0 91 0 - 9.8-29.0 Violated in 10 structures by 0.18 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 1.9-4.1 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 98 98 100 100 2.3-3.6 3.9=100 HB2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 3.0-4.2 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 2.0-4.0 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 87 87 100 100 1.9-3.7 3.5=100 HB2 ARG 23 - HD3 LYS 24 far 10 99 10 - 4.6-9.3 HB2 ARG 23 - HD2 LYS 24 far 9 93 10 - 5.4-10.0 HB2 LYS 24 - HD2 LYS 26 far 9 92 10 - 3.8-12.9 HB2 LYS 26 - HD2 LYS 31 far 5 95 5 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 5 95 5 - 5.5-20.9 HB2 LYS 19 - HD3 LYS 31 far 5 93 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 5 93 5 - 5.6-14.8 HB2 ARG 23 - HD2 LYS 26 far 4 89 5 - 4.1-14.0 HB2 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.3-12.3 HB2 ARG 23 - HD3 LYS 26 far 4 83 5 - 5.5-13.8 HB2 LYS 31 - HD2 LYS 26 lone 3 92 30 9 2.4-13.9 809/6348=5, 6331/6336=2 HB2 LYS 31 - HD3 LYS 26 lone 2 87 25 7 2.6-13.4 809/6348=4 HB2 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 99 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 95 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 95 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 98 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 93 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 96 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 94 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 97 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 96 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 86 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 84 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 96 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 96 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 88 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 87 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 92 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 81 0 - 8.6-11.4 HB2 LYS 19 - HD3 LYS 36 far 0 96 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 99 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 96 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.1-20.0 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 67 assignments used, quality = 1.00: * HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=95, 482/546=38...(39) HB3 LYS 19 + HD2 LYS 19 OK 96 97 100 98 2.9-3.9 3.9=68, 6150/6.2=11...(77) HB3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.3-4.2 3.5=95, 482/5.4=26...(39) HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.5 3.5=96, 1.8/1031=35...(79) HB3 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.1-3.8 3.5=98, 6332/6336=19...(71) HB3 LYS 19 + HD3 LYS 19 OK 94 96 100 99 2.4-4.2 3.9=68, 6150/6.2=11...(79) HB2 LYS 36 + HD2 LYS 36 OK 93 94 100 100 2.0-3.6 3.5=96, 1.8/1031=34...(79) HB3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.0-4.2 3.5=98, 6332/6.2=18...(71) HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.3-4.0 3.5=96, 6251/5.7=22...(77) HB3 LYS 26 + HD3 LYS 26 OK 86 87 100 100 2.2-4.2 3.5=96, 6251/5.7=22...(77) HB3 LYS 24 - HD2 LYS 26 far 9 92 10 - 2.5-11.6 HB3 LYS 31 - HD2 LYS 26 far 5 92 5 - 3.5-15.2 HB3 ARG 23 - HD2 LYS 26 far 5 91 5 - 4.3-13.4 HB3 LYS 19 - HD3 LYS 31 far 5 91 5 - 4.3-19.1 HB3 LYS 24 - HD3 LYS 26 far 4 87 5 - 2.8-11.2 HB3 LYS 31 - HD3 LYS 26 far 4 86 5 - 3.8-14.8 HB ILE 32 - HD2 LYS 26 far 0 91 0 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 0 93 0 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 0 94 0 - 4.6-8.0 HB ILE 32 - HD3 LYS 26 far 0 86 0 - 4.8-14.9 HB3 ARG 23 - HD3 LYS 26 far 0 86 0 - 4.9-13.2 HB ILE 32 - HD2 LYS 31 far 0 95 0 - 4.9-9.0 HB3 LYS 26 - HD3 LYS 31 far 0 93 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 95 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 100 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 95 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 99 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 93 0 - 6.0-19.2 HB VAL 93 - HD3 LYS 95 far 0 74 0 - 6.0-8.5 HB VAL 93 - HD2 LYS 95 far 0 78 0 - 6.2-8.6 HB3 LYS 31 - HD3 LYS 19 far 0 98 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 95 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 92 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 95 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 94 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 91 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 89 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 84 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 86 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 93 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 93 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 95 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 98 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 97 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 93 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 98 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 83 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 96 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 96 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 99 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 58 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 55 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 81 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 93 0 - 9.8-24.4 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 103 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 98 98 100 100 2.4-3.0 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 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 91 91 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 91 91 100 100 2.4-2.9 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 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 84 84 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 81 81 100 100 2.4-3.0 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 2.3-3.0 2.9=100 QB ALA 15 - HD2 LYS 19 poor 20 98 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 10 97 10 - 3.1-10.4 QB ALA 16 - HD2 LYS 19 far 9 89 10 - 2.3-9.2 QB ALA 28 - HD2 LYS 19 far 5 97 5 - 3.8-16.2 QB ALA 15 - HD2 LYS 31 far 5 94 5 - 3.7-21.3 QB ALA 29 - HD2 LYS 26 far 5 92 5 - 4.1-12.5 QB ALA 16 - HD2 LYS 31 far 4 84 5 - 2.7-21.0 HG3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.1-16.0 QB ALA 16 - HD3 LYS 31 far 4 81 5 - 4.1-20.4 QB ALA 16 - HD3 LYS 19 lone 1 87 30 2 2.4-9.7 QB ALA 29 - HD3 LYS 26 far 0 86 0 - 4.6-11.8 QB ALA 28 - HD2 LYS 26 far 0 89 0 - 4.6-9.5 QB ALA 28 - HD3 LYS 19 far 0 95 0 - 4.7-17.0 HG3 LYS 31 - HD2 LYS 26 far 0 88 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 92 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 92 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 83 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 94 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 90 0 - 5.4-10.1 QB ALA 21 - HD2 LYS 24 far 0 51 0 - 5.4-10.5 QB ALA 21 - HD3 LYS 19 far 0 53 0 - 5.5-8.6 HG2 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.6-20.4 QB ALA 21 - HD2 LYS 19 far 0 55 0 - 5.6-8.3 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 95 0 - 5.8-10.1 QB ALA 21 - HD3 LYS 24 far 0 57 0 - 5.9-10.6 QB ALA 12 - HD3 LYS 19 far 0 84 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 92 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 86 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 95 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 87 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 99 0 - 6.3-14.0 QB ALA 21 - HD3 LYS 31 far 0 48 0 - 6.4-19.1 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 85 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 93 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 93 0 - 6.6-15.0 QB ALA 21 - HD2 LYS 26 far 0 47 0 - 6.6-15.8 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 96 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 92 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 61 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 91 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 83 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 65 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 94 0 - 7.5-14.9 QB ALA 21 - HD2 LYS 31 far 0 50 0 - 7.5-19.4 QB ALA 29 - HD2 LYS 19 far 0 99 0 - 7.6-18.2 QB ALA 21 - HD3 LYS 26 far 0 44 0 - 7.8-16.0 QB ALA 110 - HD2 LYS 24 far 0 94 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 99 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 86 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 95 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 93 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 90 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 98 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 94 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 71 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 99 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 82 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 75 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 84 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 95 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 80 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 94 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 80 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 91 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 77 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 84 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 97 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 92 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 85 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 92 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 100 0 - 10.0-20.6 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 51 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 94 100 100 94 2.6-3.0 3.0=88, 484/546=21...(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 89 95 100 93 2.3-3.0 3.0=89, 6152/6.2=7...(23) HG3 LYS 19 + HD3 LYS 19 OK 87 94 100 93 2.4-3.0 3.0=89, 6152/6.2=7...(23) HG2 LYS 31 + HD2 LYS 31 OK 85 91 100 93 2.2-3.0 2.9=90, 5.0/6336=8...(14) HG3 LYS 36 + HD3 LYS 36 OK 85 90 100 95 2.2-3.0 3.0=87, 3.0/1042=17...(21) HG3 LYS 36 + HD2 LYS 36 OK 83 88 100 95 2.3-2.9 3.0=87, 3.0/1031=17...(21) HG2 LYS 31 + HD3 LYS 31 OK 83 89 100 93 2.3-3.0 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 2.3-2.9 2.9=95, 6252/5.7=11...(13) HG13 ILE 32 - HD3 LYS 31 far 7 74 10 - 3.4-9.5 HG13 ILE 32 - HD2 LYS 26 far 7 73 10 - 3.0-13.6 HG3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-12.6 HG13 ILE 32 - HD2 LYS 31 far 4 77 5 - 3.7-8.9 HG13 ILE 32 - HD3 LYS 26 far 3 68 5 - 3.5-12.7 QB ALA 92 - HD3 LYS 95 far 3 67 5 - 3.6-6.7 QB ALA 92 - HD2 LYS 95 far 0 71 0 - 3.8-6.7 HG2 LYS 31 - HD3 LYS 26 far 0 82 0 - 3.8-15.2 HG3 LYS 24 - HD2 LYS 26 far 0 92 0 - 3.9-13.0 HG2 LYS 31 - HD2 LYS 26 far 0 88 0 - 4.4-16.1 HG2 LYS 26 - HD3 LYS 31 far 0 78 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 86 0 - 5.5-23.5 HG13 ILE 32 - HD2 LYS 36 far 0 75 0 - 5.5-10.0 HG3 LYS 19 - HD3 LYS 26 far 0 81 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 87 0 - 6.4-20.6 HG3 LYS 36 - HD3 LYS 26 far 0 80 0 - 6.6-22.6 HG2 LYS 26 - HD2 LYS 36 far 0 79 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 96 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 90 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 89 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 77 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 87 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 93 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 89 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 92 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 81 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 95 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 81 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 98 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 85 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 82 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 80 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 84 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 99 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 77 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 91 0 - 9.9-15.8 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 89 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 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 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD3 LYS 26 far 4 85 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 90 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 87 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 90 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 94 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 93 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 94 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 91 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 91 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 96 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 89 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 90 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 92 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 94 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 87 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 99 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 96 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 99 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 95 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 77 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 79 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 95 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 94 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 91 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 86 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 93 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 98 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 86 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 96 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 84 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 96 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 91 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 84 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 58 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 96 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 55 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 94 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 554 from aliabs.peaks (2.94, 1.65, 28.74 ppm; 4.09 A): 20 out of 87 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 2.2-3.0 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 2.4-3.0 2.9=100 HE3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 80 80 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HD2 LYS 26 far 5 92 5 - 4.8-14.1 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE2 LYS 24 - HD3 LYS 26 far 4 85 5 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 82 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 94 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 84 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 89 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 84 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 91 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 89 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 84 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 90 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 89 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 93 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 79 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 95 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 94 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 81 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 84 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 90 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 89 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 87 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 98 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 87 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 89 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 87 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 88 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 86 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 90 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 82 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 84 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 87 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 93 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 82 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 91 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 89 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 96 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 96 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 83 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 83 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 78 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 91 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 84 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 78 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 90 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 93 0 - 9.2-22.5 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-17.8 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.9-20.9 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 48 assignments used, quality = 1.00: * HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 1.9-4.8 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.1 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.0-4.7 4.8=100 HB ILE 80 + HE3 LYS 86 OK 68 68 100 100 1.9-5.1 ~11877=73, ~11243=72...(20) HG3 ARG 90 + HE3 LYS 86 OK 54 70 80 96 2.9-9.3 9651/9655=78...(5) HB2 ARG 23 - HE2 LYS 24 far 15 99 15 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 far 14 96 15 - 4.4-10.1 HB2 LYS 24 - HE2 LYS 26 far 10 98 10 - 3.9-12.6 HB2 LYS 31 - HE2 LYS 26 far 10 98 10 - 4.5-15.1 HB2 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 10 96 10 - 5.5-19.9 HB2 LYS 24 - HE3 LYS 26 far 9 94 10 - 3.2-10.9 HB2 LYS 31 - HE3 LYS 26 far 9 94 10 - 3.2-14.2 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 5 100 5 - 5.7-16.4 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.6-19.1 HB2 ARG 23 - HE3 LYS 31 far 5 99 5 - 5.6-20.3 HB2 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-20.1 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.1 HB2 ARG 23 - HE3 LYS 19 far 5 98 5 - 5.8-12.3 HB2 LYS 19 - HE3 LYS 24 far 5 98 5 - 6.2-16.4 HB2 ARG 23 - HE3 LYS 26 far 5 91 5 - 5.4-12.0 HB2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 81 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 97 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 98 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 94 0 - 9.7-25.4 Violated in 0 structures by 0.00 A. Peak 559 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.36 A): 14 out of 71 assignments used, quality = 1.00: * HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.6-5.3 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.5-5.4 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 53 53 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 28 100 30 94 5.1-9.8 10825=33, 10825/1.8=23...(41) HB ILE 32 + HE2 LYS 31 OK 27 98 30 93 5.0-10.0 10825/1.8=30, 10825=27...(35) HB ILE 32 + HE2 LYS 26 OK 24 98 25 100 4.9-16.7 10833/3.0=81, ~10767=46...(30) HB3 ARG 23 - HE2 LYS 24 far 15 100 15 - 4.3-10.0 HB3 ARG 23 - HE3 LYS 24 far 15 98 15 - 4.8-9.8 HB ILE 32 - HE3 LYS 26 far 14 94 15 - 4.6-16.1 HB3 LYS 19 - HE3 LYS 31 far 10 99 10 - 4.9-20.5 HB3 LYS 24 - HE2 LYS 26 far 10 98 10 - 2.3-11.2 HB3 ARG 23 - HE2 LYS 26 far 10 98 10 - 3.1-12.7 HB ILE 32 - HE2 LYS 36 far 10 97 10 - 4.4-10.1 HB3 LYS 24 - HE3 LYS 26 far 9 94 10 - 2.2-9.7 HB3 ARG 23 - HE3 LYS 26 far 9 93 10 - 4.7-12.6 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 ARG 23 - HE3 LYS 31 far 5 100 5 - 5.9-19.8 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB3 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-21.5 HB3 LYS 26 - HE2 LYS 31 far 5 98 5 - 5.9-13.4 HB3 LYS 31 - HE2 LYS 26 far 5 98 5 - 6.0-15.4 HB3 ARG 23 - HE2 LYS 31 far 5 98 5 - 4.6-20.4 HB2 LYS 36 - HE2 LYS 26 far 5 98 5 - 6.2-21.1 HB ILE 32 - HE3 LYS 36 far 5 97 5 - 6.1-10.4 HB3 LYS 19 - HE3 LYS 24 far 5 96 5 - 5.9-15.4 HB3 LYS 19 - HE2 LYS 31 far 5 96 5 - 6.1-19.6 HB3 LYS 31 - HE3 LYS 26 far 5 94 5 - 4.8-15.1 HB2 LYS 36 - HE3 LYS 26 far 5 94 5 - 6.2-21.3 HB3 LYS 19 - HE2 LYS 24 far 0 99 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 96 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 98 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 60 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 71 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 100 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 63 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 96 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 92 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 96 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 85 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 72 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 95 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 85 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 89 0 - 10.0-34.6 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 87 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.7-4.1 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.0-4.2 3.6=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-4.0 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 95 95 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-4.1 3.6=100 QB ALA 16 - HE2 LYS 19 poor 18 91 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 3.2-11.4 QB ALA 12 - HE3 LYS 19 far 9 88 10 - 3.8-17.0 QB ALA 12 - HE2 LYS 19 far 9 88 10 - 4.0-16.7 HG2 LYS 24 - HE3 LYS 31 far 5 100 5 - 4.3-21.5 QB ALA 28 - HE2 LYS 19 far 5 98 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 98 5 - 3.2-17.3 HG2 LYS 24 - HE2 LYS 31 far 5 98 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.8-12.5 QB ALA 29 - HE2 LYS 26 far 5 98 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 98 5 - 4.7-10.3 HG3 LYS 26 - HE3 LYS 24 far 5 97 5 - 4.3-13.1 QB ALA 15 - HE2 LYS 31 far 5 97 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 31 far 5 96 5 - 4.8-10.9 HG2 LYS 24 - HE3 LYS 26 far 5 94 5 - 4.7-11.5 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 4.7-22.0 HG3 LYS 31 - HE3 LYS 26 far 4 90 5 - 5.2-15.5 QB ALA 16 - HE2 LYS 31 far 4 88 5 - 4.9-20.9 QB ALA 16 - HE3 LYS 19 lone 1 91 25 4 4.2-11.0 QB ALA 15 - HE3 LYS 31 far 0 100 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 94 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 91 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 100 0 - 5.3-10.3 QB ALA 21 - HE3 LYS 19 far 0 56 0 - 5.5-8.9 HG3 LYS 26 - HE2 LYS 31 far 0 97 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 96 0 - 5.7-10.5 QB ALA 21 - HE3 LYS 24 far 0 54 0 - 5.7-11.2 HG3 LYS 26 - HE2 LYS 24 far 0 100 0 - 5.9-12.5 QB ALA 21 - HE2 LYS 24 far 0 57 0 - 5.9-11.2 HB2 LEU 42 - HE3 LYS 36 far 0 97 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 97 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 99 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 97 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 98 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.6-12.6 QB ALA 21 - HE2 LYS 19 far 0 56 0 - 6.7-9.5 QB ALA 29 - HE2 LYS 24 far 0 100 0 - 6.8-17.3 QB ALA 21 - HE3 LYS 31 far 0 57 0 - 6.9-21.1 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 99 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 99 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 93 0 - 7.1-23.8 QB ALA 21 - HE2 LYS 26 far 0 54 0 - 7.2-16.5 QB ALA 12 - HE3 LYS 31 far 0 89 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 92 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 96 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 95 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 97 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 100 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 97 0 - 7.9-20.7 QB ALA 21 - HE2 LYS 31 far 0 54 0 - 8.0-20.1 QB ALA 21 - HE3 LYS 26 far 0 49 0 - 8.0-15.1 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 88 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 92 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 84 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 84 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 94 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 94 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 83 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 79 0 - 9.8-29.7 Violated in 0 structures by 0.00 A. Peak 561 from aliabs.peaks (1.45, 2.95, 41.80 ppm; 4.56 A): 13 out of 52 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.0 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 2.0-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-4.2 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.5-3.9 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.3-4.2 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 3.5-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 24 81 35 87 2.7-10.2 10757/6.5=19...(33) HG13 ILE 32 + HE3 LYS 31 OK 22 85 30 87 3.5-9.5 10757/6.5=19...(20) HG13 ILE 32 - HE2 LYS 26 poor 16 81 20 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 11 75 15 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 94 5 - 4.4-11.8 HG2 LYS 31 - HE3 LYS 26 far 4 90 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 88 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 84 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 79 0 - 5.8-11.9 HG3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 93 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 94 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 84 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 98 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 94 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 84 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 89 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 93 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 79 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 84 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 89 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 95 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 94 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 81 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 94 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 97 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 97 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 89 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 83 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 56 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 83 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 88 0 - 9.8-20.6 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 94 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.4-3.0 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 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.4-3.0 2.9=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 24 far 5 100 5 - 4.9-15.0 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.8-14.1 HD3 LYS 24 - HE3 LYS 31 far 0 99 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 91 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 96 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 94 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 94 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 100 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 92 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 98 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 98 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 97 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 46 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 100 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 72 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 96 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 97 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 92 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 96 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 93 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 91 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 95 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 95 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 92 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 91 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 81 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 91 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 81 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 85 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: * HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 24 far 5 98 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 5 97 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 5 95 5 - 3.7-14.5 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 90 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 91 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 99 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 99 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 93 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 99 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 60 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 99 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 67 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 97 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 64 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 97 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 97 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 98 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 96 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 98 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 97 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 93 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 93 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-20.9 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 52 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 1.9-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.8-5.4 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.1-5.4 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.1-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 87 87 100 100 1.9-4.8 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.0-5.1 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.0-4.7 4.8=100 HB ILE 80 + HE3 LYS 86 OK 62 62 100 100 1.9-5.1 ~11877=72, ~11243=71...(20) HB2 LYS 39 + HE2 LYS 39 OK 50 50 100 100 2.4-4.8 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 50 50 100 100 3.6-5.3 4.9=100 HG3 ARG 90 + HE3 LYS 86 OK 48 63 80 96 2.9-9.3 9651/9655=77...(5) HB2 ARG 23 - HE3 LYS 24 far 15 99 15 - 4.4-10.1 HB2 ARG 23 - HE2 LYS 24 far 14 96 15 - 4.3-10.8 HB2 LYS 24 - HE2 LYS 26 far 9 87 10 - 3.9-12.6 HB2 LYS 31 - HE2 LYS 26 far 9 87 10 - 4.5-15.1 HB2 ARG 23 - HE2 LYS 26 far 8 83 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 8 83 10 - 5.5-19.9 HB2 LYS 24 - HE3 LYS 26 far 8 77 10 - 3.2-10.9 HB2 LYS 31 - HE3 LYS 26 far 8 77 10 - 3.2-14.2 HB2 LYS 26 - HE3 LYS 24 far 5 100 5 - 6.0-13.1 HB2 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 5 98 5 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 5 98 5 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 31 far 5 96 5 - 5.6-20.3 HB2 LYS 31 - HE3 LYS 19 far 5 94 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 94 5 - 5.6-19.1 HB2 ARG 23 - HE3 LYS 19 far 5 91 5 - 5.8-12.3 HB2 LYS 24 - HE2 LYS 31 far 4 87 5 - 5.0-20.1 HB2 ARG 23 - HE3 LYS 26 far 4 74 5 - 5.4-12.0 HB2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.2-16.4 HB2 LYS 26 - HE2 LYS 31 far 0 87 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 87 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 91 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 84 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 84 0 - 8.2-21.4 HB ILE 80 - HE2 LYS 39 far 0 61 0 - 8.3-12.2 HB2 LYS 19 - HE2 LYS 26 far 0 87 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 94 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 84 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 67 0 - 8.8-14.7 HB ILE 80 - HE3 LYS 39 far 0 61 0 - 8.9-13.0 HB2 LYS 31 - HE3 LYS 24 far 0 100 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 84 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 84 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 92 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 80 0 - 9.7-25.4 Violated in 0 structures by 0.00 A. Peak 570 from aliabs.peaks (1.81, 2.94, 41.80 ppm; 5.22 A): 14 out of 75 assignments used, quality = 1.00: * HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.6-5.3 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.4-4.7 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.9-5.2 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 87 87 100 100 2.4-5.3 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 83 83 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 83 83 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 77 77 100 100 3.5-5.4 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 47 47 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 27 98 30 93 5.1-9.8 10825=32, 10825/1.8=22...(41) HB ILE 32 + HE2 LYS 31 OK 24 86 30 92 5.0-10.0 10825/1.8=28, 10825=24...(35) HB ILE 32 + HE2 LYS 26 OK 22 86 25 100 4.9-16.7 10833/3.0=78, ~10767=44...(30) HB3 ARG 23 - HE3 LYS 24 far 15 100 15 - 4.8-9.8 HB3 ARG 23 - HE2 LYS 24 far 15 98 15 - 4.3-10.0 HB ILE 32 - HE3 LYS 26 far 11 77 15 - 4.6-16.1 HB3 LYS 19 - HE3 LYS 31 far 10 96 10 - 4.9-20.5 HB3 LYS 24 - HE2 LYS 26 far 9 87 10 - 2.3-11.2 HB3 ARG 23 - HE2 LYS 26 far 9 86 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 8 77 10 - 2.2-9.7 HB3 ARG 23 - HE3 LYS 26 far 8 76 10 - 4.7-12.6 HB3 LYS 19 - HE3 LYS 24 far 5 99 5 - 5.9-15.4 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 ARG 23 - HE3 LYS 31 far 5 98 5 - 5.9-19.8 HB3 LYS 31 - HE3 LYS 19 far 5 94 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 94 5 - 5.4-20.0 HB3 ARG 23 - HE3 LYS 19 far 5 93 5 - 5.9-13.1 HB3 LYS 24 - HE2 LYS 31 far 4 87 5 - 5.0-21.5 HB3 LYS 26 - HE2 LYS 31 far 4 87 5 - 5.9-13.4 HB3 LYS 31 - HE2 LYS 26 far 4 87 5 - 6.0-15.4 HB3 ARG 23 - HE2 LYS 31 far 4 86 5 - 4.6-20.4 HB3 LYS 19 - HE2 LYS 31 far 4 84 5 - 6.1-19.6 HB ILE 32 - HE2 LYS 36 far 4 83 5 - 4.4-10.1 HB ILE 32 - HE3 LYS 36 far 4 83 5 - 6.1-10.4 HB3 LYS 31 - HE3 LYS 26 far 4 77 5 - 4.8-15.1 HB2 LYS 36 - HE3 LYS 26 far 0 77 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 86 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.3-15.6 HB3 ARG 135 - HE2 LYS 39 far 0 65 0 - 6.4-12.5 HB3 LYS 19 - HE2 LYS 26 far 0 84 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 86 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 53 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 94 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 7.5-21.6 HB3 ARG 135 - HE3 LYS 39 far 0 65 0 - 7.5-13.7 HB ILE 32 - HE3 LYS 19 far 0 94 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 56 0 - 8.2-12.0 HB2 CYS 79 - HE2 LYS 39 far 0 53 0 - 8.3-11.5 HB3 ARG 23 - HE3 LYS 36 far 0 83 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 74 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 94 0 - 8.8-24.0 HB2 CYS 79 - HE3 LYS 39 far 0 53 0 - 8.9-12.3 HB3 ARG 23 - HE2 LYS 36 far 0 83 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 94 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 100 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 84 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 70 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 65 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 84 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 81 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 84 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 70 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 94 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 81 0 - 10.0-34.6 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 90 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 2.1-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.7-4.1 3.8=100 HG3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.0-4.2 3.6=100 HG2 LYS 36 + HE2 LYS 36 OK 83 83 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 83 83 100 100 2.2-4.0 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 83 83 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 76 76 100 100 2.0-4.1 3.6=100 QB ALA 16 - HE2 LYS 19 poor 16 82 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 14 93 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 14 93 15 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 12 82 15 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 8 79 10 - 4.0-16.7 HG3 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.3-13.1 HG2 LYS 24 - HE3 LYS 31 far 5 98 5 - 4.3-21.5 QB ALA 28 - HE2 LYS 19 far 5 91 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 91 5 - 3.2-17.3 QB ALA 16 - HE3 LYS 31 far 4 88 5 - 4.7-22.0 HG2 LYS 24 - HE2 LYS 31 far 4 87 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 4 87 5 - 4.8-12.5 QB ALA 29 - HE2 LYS 26 far 4 87 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 4 87 5 - 4.7-10.3 QB ALA 15 - HE2 LYS 31 far 4 86 5 - 4.7-19.7 QB ALA 28 - HE2 LYS 31 far 4 83 5 - 4.8-10.9 QB ALA 12 - HE3 LYS 19 far 4 79 5 - 3.8-17.0 HG2 LYS 24 - HE3 LYS 26 far 4 77 5 - 4.7-11.5 QB ALA 16 - HE2 LYS 31 far 4 75 5 - 4.9-20.9 HB2 LEU 42 - HE2 LYS 39 far 3 65 5 - 4.7-8.1 HG3 LYS 31 - HE3 LYS 26 far 0 73 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 97 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 77 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 74 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 5.3-10.3 QB ALA 21 - HE3 LYS 19 far 0 49 0 - 5.5-8.9 HG3 LYS 26 - HE2 LYS 31 far 0 86 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 83 0 - 5.7-10.5 QB ALA 21 - HE3 LYS 24 far 0 57 0 - 5.7-11.2 HG3 LYS 26 - HE2 LYS 24 far 0 97 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 39 far 0 65 0 - 5.9-8.6 QB ALA 21 - HE2 LYS 24 far 0 54 0 - 5.9-11.2 HB2 LEU 42 - HE3 LYS 36 far 0 83 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 83 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 96 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 90 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 84 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 83 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 95 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 84 0 - 6.6-12.6 QB ALA 21 - HE2 LYS 19 far 0 49 0 - 6.7-9.5 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 6.8-17.3 QB ALA 21 - HE3 LYS 31 far 0 54 0 - 6.9-21.1 HG2 LYS 19 - HE2 LYS 26 far 0 85 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 100 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 96 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 97 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 76 0 - 7.1-23.8 QB ALA 21 - HE2 LYS 26 far 0 44 0 - 7.2-16.5 QB ALA 12 - HE3 LYS 31 far 0 84 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 88 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 99 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 86 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 99 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 97 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 94 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 100 0 - 7.9-20.7 QB ALA 21 - HE2 LYS 31 far 0 44 0 - 8.0-20.1 QB ALA 21 - HE3 LYS 26 far 0 37 0 - 8.0-15.1 HG2 LYS 19 - HE2 LYS 31 far 0 85 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 92 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 75 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 71 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 71 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 80 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 86 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 80 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 83 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 69 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 83 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 62 0 - 9.8-29.7 HG2 LYS 36 - HE3 LYS 39 far 0 65 0 - 9.9-17.4 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 52 assignments used, quality = 1.00: * HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.0 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 2.2-4.2 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 77 77 100 100 2.5-3.9 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 71 71 100 100 2.3-4.2 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 3.5-3.8 3.7=100 HG13 ILE 32 + HE3 LYS 31 OK 21 81 30 85 3.5-9.5 10757/6.5=18...(19) HG13 ILE 32 - HE2 LYS 31 poor 17 68 30 85 2.7-10.2 10757/6.5=18...(30) HG13 ILE 32 - HE2 LYS 26 far 10 68 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 9 59 15 - 3.9-14.0 HG3 LYS 24 - HE2 LYS 26 far 4 87 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 4 77 5 - 4.4-11.8 HG2 LYS 31 - HE3 LYS 26 far 4 73 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 31 far 0 87 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 71 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 89 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 65 0 - 5.8-11.9 HG3 LYS 24 - HE3 LYS 31 far 0 98 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 83 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 82 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 71 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 94 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 95 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 90 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 82 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 75 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 84 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 93 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 65 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 75 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 84 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 80 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 85 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 81 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 80 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 72 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 69 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 94 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 51 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 69 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 79 0 - 9.8-20.6 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 98 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.2-3.0 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 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 85 85 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 84 84 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 62 62 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HG LEU 43 + HE2 LYS 39 OK 39 50 80 98 2.0-6.8 9085/9097=40...(17) HG LEU 43 - HE3 LYS 39 poor 19 50 40 95 3.6-6.6 2.1/9120=39, 2.1/9123=29...(16) HD3 LYS 26 - HE3 LYS 24 far 5 100 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 5 98 5 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 74 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 87 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 83 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 77 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 77 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 83 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 77 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 87 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 75 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 87 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 99 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 77 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 87 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 87 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 87 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 93 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 41 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 65 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 82 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 85 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 86 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 77 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 94 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 46 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 94 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 83 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 82 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 78 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 87 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 91 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 84 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 84 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 77 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 84 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 94 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 78 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 83 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 84 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 94 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 67 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 80 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 67 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 91 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 68 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 574 from aliabs.peaks (1.65, 2.94, 41.80 ppm; 4.00 A): 26 out of 98 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 2.2-3.0 3.0=100 HD3 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 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.4-3.0 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 2.3-3.0 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 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 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 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.4-3.0 3.0=100 HG LEU 43 + HE2 LYS 39 OK 47 61 80 98 2.0-6.8 9085/9097=45...(17) 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 2.3-3.0 2.9=100 HG LEU 43 + HE3 LYS 39 OK 23 61 40 96 3.6-6.6 2.1/9120=39, 2.1/9123=29...(16) HD2 LYS 26 - HE3 LYS 24 far 5 99 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD3 LYS 26 - HE2 LYS 24 far 5 95 5 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 77 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 83 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 87 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 73 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 74 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 83 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 74 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 83 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 77 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 83 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 96 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 76 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 85 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 83 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 83 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 95 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 98 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 53 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 84 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 86 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 83 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 91 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 57 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 90 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 90 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 83 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 84 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 86 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 90 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 86 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 83 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 97 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 82 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 82 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 83 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 80 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 92 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 91 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 92 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 86 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 83 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 80 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 90 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 78 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 86 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 78 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 575 from aliabs.peaks (2.95, 2.94, 41.80 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE2 LYS 19 + HE2 LYS 19 OK 94 94 - 100 HE3 LYS 19 + HE3 LYS 19 OK 94 94 - 100 HE2 LYS 31 + HE2 LYS 31 OK 85 85 - 100 HE2 LYS 26 + HE2 LYS 26 OK 85 85 - 100 HE3 LYS 36 + HE3 LYS 36 OK 81 81 - 100 HE2 LYS 36 + HE2 LYS 36 OK 81 81 - 100 HE3 LYS 26 + HE3 LYS 26 OK 73 73 - 100 HE3 LYS 86 + HE3 LYS 86 OK 65 65 - 100 HE3 LYS 39 + HE3 LYS 39 OK 41 41 - 100 HE2 LYS 39 + HE2 LYS 39 OK 41 41 - 100 Reference assignment not found: HE2 LYS 24 - HE3 LYS 24 Peak 576 from aliabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE3 LYS 19 + HE3 LYS 19 OK 90 90 - 100 HE2 LYS 31 + HE2 LYS 31 OK 79 79 - 100 HE2 LYS 26 + HE2 LYS 26 OK 79 79 - 100 HE3 LYS 36 + HE3 LYS 36 OK 75 75 - 100 HE2 LYS 36 + HE2 LYS 36 OK 75 75 - 100 HE3 LYS 26 + HE3 LYS 26 OK 65 65 - 100 HE3 LYS 86 + HE3 LYS 86 OK 62 62 - 100 HE3 LYS 39 + HE3 LYS 39 OK 50 50 - 100 HE2 LYS 39 + HE2 LYS 39 OK 50 50 - 100 Peak 579 from aliabs.peaks (4.29, 4.29, 61.45 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA THR 25 + HA THR 25 OK 100 100 - 100 HA SER 74 + HA SER 74 OK 99 99 - 100 HA THR 18 + HA THR 18 OK 73 73 - 100 HA PHE 87 + HA PHE 87 OK 20 20 - 100 Peak 580 from aliabs.peaks (4.19, 4.29, 61.45 ppm; 2.62 A): 2 out of 7 assignments used, quality = 0.99: * HB THR 25 + HA THR 25 OK 97 100 100 97 2.3-2.7 3.0=66, 2.1/581=52...(12) HB THR 18 + HA THR 18 OK 68 74 100 92 2.7-3.0 3.0=66, 6140/3.0=35...(12) HA ALA 88 - HA PHE 87 far 0 23 0 - 4.7-4.8 HA ALA 34 - HA THR 25 far 0 71 0 - 7.5-22.8 HA GLU 30 - HA THR 25 far 0 68 0 - 8.4-15.5 HA ALA 34 - HA SER 74 far 0 69 0 - 9.1-12.9 HA HIS 67 - HA SER 74 far 0 85 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 581 from aliabs.peaks (1.18, 4.29, 61.45 ppm; 2.72 A): 2 out of 11 assignments used, quality = 0.98: * QG2 THR 25 + HA THR 25 OK 94 100 100 94 2.2-3.2 3.2=61, 6242/3.0=40...(9) QG2 THR 18 + HA THR 18 OK 64 70 100 92 2.1-3.1 3.2=61, 6141/3.0=35...(10) HG12 ILE 32 - HA THR 25 far 4 76 5 - 3.0-14.7 QG2 VAL 77 - HA PHE 87 far 0 27 0 - 4.1-5.4 QG2 VAL 77 - HA SER 74 far 0 96 0 - 4.2-6.3 QB ALA 41 - HA THR 25 far 0 100 0 - 8.2-22.4 QG2 THR 25 - HA SER 74 far 0 99 0 - 8.5-26.3 QG2 THR 18 - HA THR 25 far 0 96 0 - 8.8-15.4 QG2 THR 18 - HA SER 74 far 0 94 0 - 9.4-30.3 QG2 THR 25 - HA THR 18 far 0 77 0 - 9.7-14.6 HG12 ILE 32 - HA THR 18 far 0 51 0 - 9.8-22.5 Violated in 6 structures by 0.01 A. Peak 584 from aliabs.peaks (4.29, 4.19, 69.70 ppm; 3.99 A): 3 out of 17 assignments used, quality = 1.00: * HA THR 25 + HB THR 25 OK 100 100 100 100 2.3-2.7 3.0=100 HA THR 18 + HB THR 18 OK 86 86 100 100 2.7-3.0 3.0=100 HA LYS 26 + HB THR 25 OK 23 78 30 98 4.3-5.9 2.9/6247=75, ~6248=39...(15) HA LYS 19 - HB THR 18 poor 18 71 25 - 3.7-5.4 HA ALA 15 - HB THR 18 far 8 84 10 - 3.5-11.7 HA ARG 23 - HB THR 25 far 5 96 5 - 4.2-7.7 HA ALA 16 - HB THR 18 lone 0 80 30 2 4.6-8.2 2.1/10691=1 HA GLN 61 - HB THR 25 far 0 97 0 - 5.0-37.6 HA ALA 21 - HB THR 18 far 0 89 0 - 5.0-9.0 HA LEU 22 - HB THR 25 far 0 71 0 - 6.2-10.5 HA LEU 22 - HB THR 18 far 0 58 0 - 7.1-11.3 HA LYS 31 - HB THR 18 far 0 69 0 - 7.5-24.9 HA ALA 12 - HB THR 18 far 0 89 0 - 7.6-19.0 HA LYS 19 - HB THR 25 far 0 85 0 - 8.1-17.5 HA LYS 36 - HB THR 25 far 0 99 0 - 8.5-20.2 HA ARG 23 - HB THR 18 far 0 83 0 - 8.5-13.4 HA ALA 21 - HB THR 25 far 0 100 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 585 from aliabs.peaks (4.19, 4.19, 69.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 25 + HB THR 25 OK 100 100 - 100 HB THR 18 + HB THR 18 OK 87 87 - 100 Peak 586 from aliabs.peaks (1.18, 4.19, 69.70 ppm; 3.02 A): 2 out of 6 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 - 5.1-13.6 QG2 THR 18 - HB THR 25 far 0 96 0 - 8.0-16.0 QB ALA 41 - HB THR 25 far 0 100 0 - 9.4-22.5 QG2 THR 25 - HB THR 18 far 0 90 0 - 9.8-16.2 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 24 assignments used, quality = 1.00: * HA THR 25 + QG2 THR 25 OK 100 100 100 100 2.2-3.2 3.2=100 HA THR 18 + QG2 THR 18 OK 82 82 100 100 2.1-3.1 3.2=100 HA LYS 19 + QG2 THR 18 OK 52 67 85 91 2.8-5.2 3.0/6147=33, ~6146=26...(14) HA LYS 26 + QG2 THR 25 OK 32 78 45 91 3.0-5.6 2.9/6248=53, ~6247=27...(16) HA GLN 61 - QG2 THR 25 far 5 97 5 - 2.6-32.1 HA ARG 23 - QG2 THR 25 far 5 96 5 - 4.0-6.9 HA ALA 21 - QG2 THR 18 far 4 85 5 - 3.7-7.8 HA ALA 15 - QG2 THR 18 far 4 80 5 - 3.2-10.4 HA LYS 31 - QG2 THR 18 far 0 65 0 - 4.4-19.8 HA LEU 22 - QG2 THR 25 far 0 71 0 - 4.8-9.6 HA ALA 16 - QG2 THR 18 far 0 76 0 - 4.8-7.8 HA LEU 22 - QG2 THR 18 far 0 55 0 - 5.4-9.2 HA ARG 23 - QG2 THR 18 far 0 79 0 - 5.5-10.5 HA ALA 12 - QG2 THR 18 far 0 85 0 - 6.2-17.2 HA LYS 19 - QG2 THR 25 far 0 85 0 - 6.2-14.4 HA LYS 36 - QG2 THR 25 far 0 99 0 - 7.2-17.8 HA LYS 26 - QG2 THR 18 far 0 61 0 - 7.4-15.1 HA LYS 31 - QG2 THR 25 far 0 83 0 - 7.5-15.1 HA SER 74 - QG2 THR 25 far 0 100 0 - 8.5-26.3 HA ALA 21 - QG2 THR 25 far 0 100 0 - 8.6-11.8 HA THR 25 - QG2 THR 18 far 0 87 0 - 8.8-15.4 HA SER 74 - QG2 THR 18 far 0 86 0 - 9.4-30.3 HA ALA 12 - QG2 THR 25 far 0 100 0 - 9.5-27.5 HA THR 18 - QG2 THR 25 far 0 98 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 590 from aliabs.peaks (4.19, 1.18, 21.28 ppm; 2.78 A): 2 out of 10 assignments used, quality = 1.00: * HB THR 25 + QG2 THR 25 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 18 + QG2 THR 18 OK 83 83 100 100 2.1-2.1 2.1=100 HA GLU 30 - QG2 THR 25 far 0 68 0 - 6.1-13.1 HA ALA 34 - QG2 THR 18 far 0 55 0 - 6.9-22.0 HA ALA 34 - QG2 THR 25 far 0 71 0 - 7.3-19.8 HB THR 25 - QG2 THR 18 far 0 87 0 - 8.0-16.0 HA GLU 30 - QG2 THR 18 far 0 53 0 - 8.3-21.9 HA LEU 53 - QG2 THR 25 far 0 97 0 - 9.5-39.0 HA HIS 67 - QG2 THR 25 far 0 87 0 - 9.7-28.3 HB THR 18 - QG2 THR 25 far 0 99 0 - 9.8-16.2 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 22 assignments used, quality = 1.00: * HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.5-3.0 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 2.3-2.9 3.0=100 HB2 LYS 31 - HA ARG 23 far 5 51 10 - 4.6-15.9 HB2 LYS 31 - HA LYS 26 far 5 100 5 - 4.0-13.4 HB2 LYS 26 - HA ARG 23 far 3 51 5 - 4.7-9.7 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 4.8-11.1 HB2 LYS 24 - HA ARG 23 far 0 51 0 - 4.9-6.1 HB2 LYS 24 - HA LYS 19 far 0 100 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 100 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 99 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 99 0 - 6.8-19.6 HB2 LYS 19 - HA ARG 23 far 0 51 0 - 6.9-11.3 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 100 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 8.4-17.8 HB2 LYS 31 - HA LYS 36 far 0 51 0 - 8.7-13.3 HB2 LYS 39 - HA LYS 36 far 0 40 0 - 8.8-11.5 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 2.3-2.6 3.0=100 HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-2.7 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 2.2-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 51 51 100 100 2.7-3.0 3.0=100 HB3 LYS 31 - HA ARG 23 far 5 51 10 - 3.9-17.1 HB3 ARG 23 - HA LYS 26 far 5 100 5 - 4.3-10.0 HB3 LYS 24 - HA ARG 23 far 3 51 5 - 4.4-6.5 HB3 LYS 26 - HA ARG 23 far 0 51 0 - 4.5-10.3 HB3 LYS 26 - HA LYS 31 far 0 100 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 100 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 100 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 100 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 99 0 - 5.7-18.7 HB3 LYS 19 - HA ARG 23 far 0 48 0 - 5.8-10.2 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 50 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 99 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 100 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 100 0 - 7.8-20.0 HB ILE 32 - HA ARG 23 far 0 50 0 - 8.0-20.1 HB3 LYS 19 - HA LYS 31 far 0 98 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 100 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 42 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 100 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 100 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 597 from aliabs.peaks (1.43, 4.27, 56.30 ppm; 4.22 A): 5 out of 30 assignments used, quality = 1.00: * HG2 LYS 26 + HA LYS 26 OK 100 100 100 100 3.4-4.2 4.0=100 HG3 LYS 19 + HA LYS 19 OK 98 98 100 100 3.8-4.2 4.2=100 HG2 LYS 31 + HA LYS 31 OK 68 68 100 100 2.2-4.2 3.8=100 HG13 ILE 32 + HA LYS 31 OK 59 100 60 98 4.5-6.4 6345/6342=86...(15) HG3 LYS 36 + HA LYS 36 OK 26 26 100 100 3.5-3.8 4.1=100 QB ALA 34 - HA LYS 19 far 4 89 5 - 3.0-20.7 HG3 LYS 24 - HA ARG 23 far 4 40 10 - 5.0-7.0 HG2 LYS 31 - HA LYS 19 far 3 67 5 - 3.6-20.1 HG2 LYS 26 - HA ARG 23 far 3 51 5 - 2.4-10.5 QB ALA 34 - HA ARG 23 far 2 41 5 - 4.9-22.7 HG2 LYS 31 - HA ARG 23 far 1 28 5 - 4.5-18.5 HG2 LYS 31 - HA LYS 26 far 0 68 0 - 5.2-13.1 HG13 ILE 32 - HA LYS 26 far 0 100 0 - 5.4-12.6 HG2 LYS 26 - HA LYS 31 far 0 100 0 - 5.5-15.2 HG3 LYS 24 - HA LYS 19 far 0 87 0 - 5.7-13.9 QB ALA 34 - HA LYS 36 far 0 41 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 90 0 - 6.5-18.5 HG3 LYS 19 - HA ARG 23 far 0 49 0 - 7.0-10.2 HG3 LYS 24 - HA LYS 26 far 0 89 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 100 0 - 7.5-22.0 HG3 LYS 36 - HA LYS 31 far 0 62 0 - 7.6-11.7 HG13 ILE 32 - HA ARG 23 far 0 51 0 - 7.8-17.9 HG3 LYS 24 - HA LYS 31 far 0 88 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 99 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 51 0 - 8.0-20.6 HG2 LYS 31 - HA LYS 36 far 0 28 0 - 8.1-14.6 HG13 ILE 32 - HA LYS 36 far 0 51 0 - 8.4-11.2 QB ALA 34 - HA LYS 31 far 0 90 0 - 8.5-9.9 HG2 LYS 26 - HA LYS 19 far 0 100 0 - 8.6-19.4 HG3 LYS 19 - HA LYS 31 far 0 99 0 - 9.3-20.3 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 42 assignments used, quality = 1.00: * HG3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.5-3.8 4.0=71, 6253/2.9=57...(31) HG3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.1-3.7 3.8=85, 1.8/822=30...(22) HG2 LYS 19 + HA LYS 19 OK 94 95 100 99 3.5-3.7 4.2=66, 10714/11764=39...(39) HG2 LYS 36 + HA LYS 36 OK 51 51 100 99 2.9-3.8 4.1=67, 6394/3.0=55...(29) HG2 LYS 24 - HA ARG 23 poor 15 50 30 - 3.7-6.5 HG3 LYS 26 - HA ARG 23 far 5 51 10 - 2.5-9.1 QB ALA 28 - HA ARG 23 far 5 51 10 - 3.6-12.8 QB ALA 28 - HA LYS 26 far 5 100 5 - 4.5-7.6 QB ALA 28 - HA LYS 19 far 5 99 5 - 4.2-16.4 HG3 LYS 31 - HA LYS 19 far 5 99 5 - 3.8-19.8 HG2 LYS 24 - HA LYS 19 far 5 99 5 - 4.2-13.3 HG3 LYS 31 - HA LYS 26 far 0 100 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 100 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 51 0 - 4.9-11.6 QB ALA 16 - HA ARG 23 far 0 47 0 - 5.2-13.6 QB ALA 29 - HA LYS 26 far 0 100 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 96 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 97 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 100 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 100 0 - 5.8-7.6 HG3 LYS 31 - HA ARG 23 far 0 50 0 - 6.1-18.5 HG3 LYS 26 - HA LYS 31 far 0 100 0 - 6.6-15.0 QB ALA 29 - HA ARG 23 far 0 51 0 - 6.6-14.2 QB ALA 12 - HA LYS 19 far 0 77 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 99 0 - 6.9-20.8 HG2 LYS 19 - HA ARG 23 far 0 46 0 - 7.1-10.0 HG2 LYS 24 - HA LYS 26 far 0 100 0 - 7.2-9.6 QB ALA 29 - HA LYS 19 far 0 99 0 - 7.3-18.3 QB ALA 15 - HA ARG 23 far 0 51 0 - 7.8-16.4 QB ALA 15 - HA LYS 31 far 0 100 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 97 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 48 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 100 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 47 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 100 0 - 8.4-12.7 HG2 LYS 19 - HA LYS 26 far 0 97 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 51 0 - 8.8-20.2 HG2 LYS 19 - HA LYS 31 far 0 96 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 51 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 50 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 78 0 - 9.8-28.1 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 44 assignments used, quality = 1.00: HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.8 5.2=65, ~6331=34...(34) HD3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.5-5.2 5.0=75, ~6253=39...(33) HD2 LYS 31 + HA LYS 31 OK 99 100 100 100 2.0-4.9 5.2=65, ~6331=34...(34) HD2 LYS 19 + HA LYS 19 OK 87 97 90 100 3.6-5.5 5.2=67, 10696/11871=38...(42) HD3 LYS 19 + HA LYS 19 OK 85 95 90 99 3.9-5.5 5.2=67, 3.0/627=30...(41) * HD2 LYS 26 + HA LYS 26 OK 85 100 85 100 3.8-5.5 5.0=75, ~6253=39...(33) HD3 LYS 36 + HA LYS 36 OK 51 51 100 100 4.1-5.2 5.3=63, 1042/3.0=41...(30) HD2 LYS 36 + HA LYS 36 OK 50 51 100 100 4.2-5.0 5.3=63, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 15 100 15 - 5.0-16.1 HD3 LYS 24 - HA ARG 23 poor 10 50 20 - 3.7-7.9 HD2 LYS 24 - HA ARG 23 far 8 51 15 - 4.8-8.7 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 3.8-16.5 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 99 5 - 3.8-21.0 HD2 LYS 26 - HA ARG 23 far 3 51 5 - 2.1-11.5 HD3 LYS 26 - HA ARG 23 far 3 51 5 - 3.6-11.3 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.1-16.0 HD3 LYS 31 - HA ARG 23 far 0 51 0 - 6.1-18.9 HD3 LYS 24 - HA LYS 19 far 0 99 0 - 6.6-15.8 HD2 LYS 31 - HA ARG 23 far 0 50 0 - 6.6-18.6 HD2 LYS 19 - HA LYS 31 far 0 98 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 100 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 50 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 96 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 51 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 51 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 51 0 - 8.3-21.8 HD3 LYS 19 - HA ARG 23 far 0 46 0 - 8.5-12.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 8.7-21.9 HD2 LYS 19 - HA ARG 23 far 0 48 0 - 8.7-12.4 HD3 LYS 36 - HA LYS 31 far 0 100 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 98 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 99 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 99 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 36 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 99 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 100 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 41 0 - 9.8-13.7 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 44 assignments used, quality = 1.00: * HD3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.5-5.2 5.0=75, ~6253=39...(33) HD3 LYS 31 + HA LYS 31 OK 99 100 100 100 2.0-4.8 5.2=65, ~6331=34...(34) HD2 LYS 31 + HA LYS 31 OK 99 99 100 100 2.0-4.9 5.2=65, ~6331=34...(34) HD2 LYS 26 + HA LYS 26 OK 85 100 85 100 3.8-5.5 5.0=75, ~6253=39...(33) HD2 LYS 19 + HA LYS 19 OK 85 94 90 100 3.6-5.5 5.2=67, 10696/11871=37...(42) HD3 LYS 19 + HA LYS 19 OK 82 92 90 99 3.9-5.5 5.2=67, 3.0/627=29...(41) HD2 LYS 36 + HA LYS 36 OK 51 51 100 100 4.2-5.0 5.3=63, 1031/3.0=41...(30) HD3 LYS 36 + HA LYS 36 OK 51 51 100 100 4.1-5.2 5.3=63, 1042/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 15 100 15 - 5.0-16.1 HD3 LYS 24 - HA ARG 23 poor 10 48 20 - 3.7-7.9 HD2 LYS 24 - HA ARG 23 far 8 51 15 - 4.8-8.7 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 3.8-16.5 HD3 LYS 31 - HA LYS 19 far 5 99 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 98 5 - 3.8-21.0 HD3 LYS 26 - HA ARG 23 far 3 51 5 - 3.6-11.3 HD2 LYS 26 - HA ARG 23 far 3 51 5 - 2.1-11.5 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.1-16.0 HD3 LYS 31 - HA ARG 23 far 0 50 0 - 6.1-18.9 HD3 LYS 24 - HA LYS 19 far 0 97 0 - 6.6-15.8 HD2 LYS 31 - HA ARG 23 far 0 49 0 - 6.6-18.6 HD2 LYS 19 - HA LYS 31 far 0 95 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 100 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 99 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 98 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 49 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 93 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 51 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 50 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 51 0 - 8.3-21.8 HD3 LYS 19 - HA ARG 23 far 0 43 0 - 8.5-12.2 HD2 LYS 26 - HA LYS 19 far 0 99 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 8.7-21.9 HD2 LYS 19 - HA ARG 23 far 0 45 0 - 8.7-12.4 HD3 LYS 36 - HA LYS 31 far 0 100 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 96 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 100 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 40 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 93 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 98 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 100 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 37 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 605 from aliabs.peaks (4.27, 1.75, 32.59 ppm; 3.43 A): 4 out of 49 assignments used, quality = 1.00: * HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.5-3.0 3.0=100 HA THR 25 + HB2 LYS 24 OK 30 78 40 97 4.0-5.6 3.0/6232=53, ~6233=32...(19) HA LEU 22 - HB2 LYS 24 poor 20 100 20 - 4.2-8.1 HA GLN 27 - HB2 LYS 26 far 8 81 10 - 3.9-5.9 HA LYS 26 - HB2 LYS 31 far 5 100 5 - 4.0-13.4 HA GLN 27 - HB2 LYS 31 far 4 80 5 - 4.2-11.7 HA THR 25 - HB2 LYS 26 far 0 78 0 - 4.5-6.1 HA ARG 23 - HB2 LYS 31 far 0 97 0 - 4.6-15.9 HA ARG 23 - HB2 LYS 26 far 0 97 0 - 4.7-9.7 HA ARG 23 - HB2 LYS 24 far 0 97 0 - 4.9-6.1 HA ALA 16 - HB2 LYS 19 far 0 98 0 - 5.1-9.5 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 5.2-14.4 HA THR 18 - HB2 LYS 19 far 0 94 0 - 5.3-6.2 HA LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-14.5 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 5.5-17.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.5-8.7 HA ALA 28 - HB2 LYS 24 far 0 73 0 - 5.6-13.0 HA GLN 27 - HB2 LYS 19 far 0 80 0 - 5.7-17.7 HA GLN 61 - HB2 LYS 24 far 0 96 0 - 5.8-38.1 HA ALA 28 - HB2 LYS 19 far 0 73 0 - 5.9-18.5 HA ALA 15 - HB2 LYS 19 far 0 96 0 - 5.9-12.4 HA ALA 28 - HB2 LYS 26 far 0 73 0 - 5.9-8.7 HA ALA 28 - HB2 LYS 31 far 0 72 0 - 6.0-11.1 HA THR 25 - HB2 LYS 31 far 0 77 0 - 6.5-14.5 HA LEU 22 - HB2 LYS 31 far 0 100 0 - 6.5-20.9 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 6.8-16.3 HA ARG 23 - HB2 LYS 19 far 0 97 0 - 6.9-11.3 HA ALA 16 - HB2 LYS 31 far 0 98 0 - 7.1-22.6 HA ALA 21 - HB2 LYS 19 far 0 65 0 - 7.4-8.7 HA ALA 12 - HB2 LYS 19 far 0 88 0 - 7.5-21.5 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 7.7-19.5 HA GLN 27 - HB2 LYS 24 far 0 80 0 - 7.9-11.1 HA LYS 31 - HB2 LYS 19 far 0 100 0 - 8.0-20.2 HA THR 18 - HB2 LYS 31 far 0 94 0 - 8.0-21.4 HA THR 18 - HB2 LYS 24 far 0 94 0 - 8.2-14.2 HA ALA 21 - HB2 LYS 24 far 0 65 0 - 8.2-10.8 HA SER 74 - HB2 LYS 19 far 0 82 0 - 8.2-31.6 HA GLN 61 - HB2 LYS 26 far 0 97 0 - 8.3-37.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 8.4-17.8 HA ALA 15 - HB2 LYS 31 far 0 96 0 - 8.5-24.7 HA LYS 36 - HB2 LYS 31 far 0 89 0 - 8.7-13.3 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 8.7-14.1 HA LYS 36 - HB2 LYS 39 far 0 50 0 - 8.8-11.5 HA ALA 21 - HB2 LYS 31 far 0 65 0 - 9.1-21.0 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 9.3-11.5 HA ALA 21 - HB2 LYS 26 far 0 65 0 - 9.7-15.5 HA THR 25 - HB2 LYS 19 far 0 78 0 - 9.8-17.2 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 100 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 99 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 100 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 52 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 100 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 100 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 98 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.0-24.5 Violated in 0 structures by 0.00 A. Peak 608 from aliabs.peaks (1.43, 1.75, 32.59 ppm; 3.53 A): 5 out of 27 assignments used, quality = 1.00: * HG2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.7-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 89 89 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 67 67 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 28 100 35 80 3.8-6.2 6345/809=46...(11) HG13 ILE 32 - HB2 LYS 26 far 10 100 10 - 4.2-12.5 HG2 LYS 31 - HB2 LYS 26 far 7 68 10 - 3.3-13.1 HG2 LYS 26 - HB2 LYS 31 far 5 100 5 - 4.2-12.5 QB ALA 34 - HB2 LYS 19 far 4 90 5 - 2.9-20.2 QB ALA 34 - HB2 LYS 26 far 0 90 0 - 5.0-17.9 HG2 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.1-11.3 HG3 LYS 24 - HB2 LYS 26 far 0 89 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 68 0 - 5.8-19.4 QB ALA 34 - HB2 LYS 24 far 0 90 0 - 6.3-23.8 HG13 ILE 32 - HB2 LYS 19 far 0 100 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 62 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 68 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 88 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 100 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 88 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 99 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 63 0 - 8.4-20.7 QB ALA 34 - HB2 LYS 31 far 0 89 0 - 8.5-10.8 HG3 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.6-17.4 QB ALA 34 - HB2 LYS 39 far 0 50 0 - 8.7-13.1 HG3 LYS 19 - HB2 LYS 24 far 0 99 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-19.5 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 40 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 2.3-2.9 2.9=100 HG3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.4-2.9 3.0=100 HG3 LYS 31 - HB2 LYS 26 far 10 100 10 - 4.2-14.0 QB ALA 28 - HB2 LYS 31 far 10 100 10 - 4.2-8.2 HG3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.5-10.3 QB ALA 15 - HB2 LYS 19 far 5 100 5 - 3.6-11.3 QB ALA 28 - HB2 LYS 19 far 5 100 5 - 3.2-16.4 QB ALA 28 - HB2 LYS 24 far 5 100 5 - 3.9-12.5 QB ALA 16 - HB2 LYS 19 far 5 97 5 - 4.4-8.5 QB ALA 16 - HB2 LYS 31 far 5 97 5 - 3.9-19.7 HB2 LEU 42 - HB2 LYS 39 far 0 59 0 - 4.9-6.2 QB ALA 12 - HB2 LYS 19 far 0 78 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 100 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 100 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 100 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 6.0-10.8 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 6.3-10.0 QB ALA 29 - HB2 LYS 31 far 0 100 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 100 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.9-19.1 HG2 LYS 19 - HB2 LYS 26 far 0 97 0 - 8.3-18.2 HG2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 96 0 - 8.6-14.0 HG2 LYS 19 - HB2 LYS 31 far 0 96 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 62 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 97 0 - 9.2-17.0 QB ALA 12 - HB2 LYS 31 far 0 77 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-18.8 QB ALA 12 - HB2 LYS 26 far 0 78 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 97 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.9-20.9 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 38 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.0 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 1.9-4.1 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.3-3.6 3.9=100 HG LEU 43 + HB2 LYS 39 OK 48 50 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 39 + HB2 LYS 39 OK 45 45 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.8-12.9 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD3 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.6-14.8 HD2 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.5-20.9 HD2 LYS 26 - HB2 LYS 31 lone 3 100 30 10 2.4-13.9 6347/809=5, 6335/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 100 25 7 2.6-13.4 6348/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 96 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 100 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 98 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 97 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.1-20.0 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 38 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.9-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.0 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 1.9-4.1 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 93 93 100 100 2.3-3.6 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 49 49 100 100 2.0-4.0 3.6=100 HG LEU 43 + HB2 LYS 39 OK 44 46 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.8-12.9 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD3 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.6-14.8 HD2 LYS 31 - HB2 LYS 26 far 5 99 5 - 5.5-14.9 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.5-20.9 HD2 LYS 26 - HB2 LYS 31 lone 3 100 30 10 2.4-13.9 6347/809=5, 6335/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 100 25 7 2.6-13.4 6347/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 95 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 98 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 92 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 100 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 98 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 96 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 93 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 97 0 - 9.1-20.0 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 39 assignments used, quality = 1.00: * HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 3.1-5.4 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 96 96 100 100 1.9-5.1 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.6-5.3 4.9=100 HE2 LYS 26 - HB2 LYS 24 far 15 100 15 - 3.9-12.6 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE2 LYS 26 - HB2 LYS 31 far 15 100 15 - 4.5-15.1 HE3 LYS 26 - HB2 LYS 31 far 15 100 15 - 3.2-14.2 HE3 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.2-10.9 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-20.1 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.6-21.4 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.6-19.1 HE3 LYS 31 - HB2 LYS 24 far 5 99 5 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 5 99 5 - 5.7-16.4 HE3 LYS 24 - HB2 LYS 26 far 5 96 5 - 6.0-13.1 HE3 LYS 24 - HB2 LYS 19 far 5 95 5 - 6.2-16.4 HE3 LYS 31 - HB2 LYS 26 far 0 99 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.6-13.8 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 95 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.8-11.7 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 37 assignments used, quality = 1.00: * HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.1-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 3.1-5.4 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 92 92 100 100 1.9-5.1 5.1=100 HE3 LYS 26 - HB2 LYS 31 far 15 100 15 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE2 LYS 26 - HB2 LYS 31 far 15 100 15 - 4.5-15.1 HE3 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.2-10.9 HE2 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.9-12.6 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.0-20.1 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.6-21.4 HE3 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.6-19.1 HE3 LYS 31 - HB2 LYS 24 far 5 98 5 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 5 98 5 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 5 98 5 - 5.7-16.4 HE3 LYS 24 - HB2 LYS 26 far 5 92 5 - 6.0-13.1 HE3 LYS 24 - HB2 LYS 19 far 5 91 5 - 6.2-16.4 HE3 LYS 31 - HB2 LYS 26 far 0 98 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 98 0 - 7.5-13.7 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.6-13.8 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 99 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 91 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 33 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 616 from aliabs.peaks (4.27, 1.81, 32.59 ppm; 3.58 A): 5 out of 51 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-2.6 3.0=100 HA LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.3-2.7 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 2.7-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 27 81 35 97 3.9-4.8 3.0/6263=61, ~6262=35...(21) HA LEU 22 - HB3 LYS 24 far 5 100 5 - 3.4-7.5 HA ARG 23 - HB3 LYS 24 far 5 97 5 - 4.4-6.5 HA ARG 23 - HB3 LYS 31 far 5 96 5 - 3.9-17.1 HA THR 25 - HB3 LYS 24 far 4 78 5 - 4.2-5.4 HA ARG 23 - HB3 LYS 26 far 0 97 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 100 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 93 0 - 4.9-10.4 HA ALA 28 - HB3 LYS 26 far 0 73 0 - 5.2-8.2 HA ALA 28 - HB3 LYS 19 far 0 66 0 - 5.4-17.2 HA LYS 19 - HB3 LYS 24 far 0 100 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 100 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 99 0 - 5.5-22.2 HA ALA 28 - HB3 LYS 24 far 0 73 0 - 5.6-13.9 HA THR 25 - HB3 LYS 26 far 0 78 0 - 5.6-6.3 HA GLN 27 - HB3 LYS 31 far 0 79 0 - 5.7-10.9 HA LYS 19 - HB3 LYS 31 far 0 99 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 91 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 87 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 5.9-14.9 HA GLN 27 - HB3 LYS 19 far 0 73 0 - 6.0-16.8 HA GLN 61 - HB3 LYS 24 far 0 96 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 6.8-22.8 HA ALA 28 - HB3 LYS 31 far 0 72 0 - 6.8-10.4 HA ALA 21 - HB3 LYS 19 far 0 58 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 93 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 81 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 65 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 81 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 90 0 - 7.5-13.6 HA GLN 27 - HB3 LYS 24 far 0 80 0 - 7.7-11.4 HA ALA 21 - HB3 LYS 31 far 0 64 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 95 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 77 0 - 8.1-15.3 HA SER 74 - HB3 LYS 19 far 0 75 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 95 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 95 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 94 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 71 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 80 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 100 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 56 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 100 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 65 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 97 0 - 9.9-37.8 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 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 3.4-9.6 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 93 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 99 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 99 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 95 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 81 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 81 0 - 9.0-24.5 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): 5 out of 31 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-2.6 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-2.5 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 89 89 100 100 2.2-2.8 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 67 67 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 44 44 100 100 2.6-2.8 3.0=100 HG13 ILE 32 - HB3 LYS 26 poor 20 100 20 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 7 68 10 - 3.1-12.9 QB ALA 34 - HB3 LYS 19 far 4 83 5 - 2.0-20.6 HG2 LYS 26 - HB3 LYS 24 far 0 100 0 - 4.7-10.8 HG13 ILE 32 - HB3 LYS 31 far 0 99 0 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 31 far 0 100 0 - 5.2-13.4 QB ALA 34 - HB3 LYS 26 far 0 90 0 - 5.4-16.7 HG13 ILE 32 - HB3 LYS 19 far 0 95 0 - 5.4-19.7 QB ALA 34 - HB2 LYS 36 far 0 67 0 - 5.5-6.5 HG2 LYS 31 - HB3 LYS 19 far 0 61 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 81 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 87 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 48 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 81 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 89 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 81 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 68 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 99 0 - 7.5-15.4 QB ALA 34 - HB3 LYS 24 far 0 90 0 - 7.6-24.6 HG2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 98 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 100 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 61 0 - 8.7-13.8 QB ALA 34 - HB3 LYS 31 far 0 89 0 - 8.8-11.6 HG3 LYS 36 - HB3 LYS 26 far 0 63 0 - 9.1-20.8 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 42 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-3.0 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 2.7-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.9-3.0 3.0=100 QB ALA 28 - HB3 LYS 26 far 15 100 15 - 4.3-7.7 HG3 LYS 26 - HB3 LYS 24 far 10 100 10 - 3.4-9.5 HG3 LYS 31 - HB3 LYS 26 far 5 100 5 - 3.9-13.1 QB ALA 16 - HB3 LYS 31 far 5 96 5 - 3.9-19.7 QB ALA 28 - HB3 LYS 19 far 5 95 5 - 2.9-15.3 QB ALA 29 - HB2 LYS 36 far 0 80 0 - 4.6-10.7 QB ALA 28 - HB3 LYS 31 far 0 99 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 100 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 91 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 96 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 71 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 99 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 100 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 100 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 95 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 95 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 95 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 100 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 99 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 100 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 100 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 95 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 76 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 80 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 97 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 100 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 77 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 80 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 100 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 97 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 78 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 78 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.9-14.8 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 43 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 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 2.1-3.8 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 92 92 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 90 90 100 100 2.4-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 80 80 100 100 2.0-3.6 3.5=100 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.8-11.2 HD3 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.0-13.1 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.5-15.2 HD2 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.2-13.2 HD3 LYS 26 - HB3 LYS 31 far 5 99 5 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 0 97 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 95 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 95 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 80 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 99 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 81 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 95 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 80 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 81 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 99 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 95 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 94 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 95 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 95 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 99 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 97 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 98 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 98 0 - 9.8-19.8 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 43 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.1-3.8 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 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 86 86 100 100 2.4-4.2 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.2-3.5 3.5=100 HD3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.0-13.1 HD3 LYS 26 - HB3 LYS 31 far 5 100 5 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 31 far 5 99 5 - 3.5-15.2 HD2 LYS 31 - HB3 LYS 26 far 5 99 5 - 5.2-13.2 HD3 LYS 31 - HB3 LYS 19 far 5 95 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 0 94 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 93 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 92 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 78 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 80 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 95 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 81 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 80 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 97 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 92 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 98 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 96 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 96 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 93 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 93 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.8-19.8 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 44 assignments used, quality = 1.00: * HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.6-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.4-4.7 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.2-4.6 4.9=100 HE2 LYS 26 - HB3 LYS 24 far 15 100 15 - 2.3-11.2 HE2 LYS 31 - HB3 LYS 19 far 14 96 15 - 6.1-19.6 HE3 LYS 31 - HB3 LYS 19 far 14 94 15 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.2-9.7 HE3 LYS 31 - HB3 LYS 26 far 10 99 10 - 6.8-13.2 HE3 LYS 31 - HB2 LYS 36 far 8 79 10 - 6.7-12.2 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.0-21.5 HE3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.4-20.0 HE3 LYS 26 - HB3 LYS 31 far 5 99 5 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 5 100 5 - 6.0-15.4 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.4-20.0 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 26 - HB3 LYS 19 far 5 96 5 - 6.7-19.5 HE2 LYS 24 - HB3 LYS 19 far 5 94 5 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 19 far 4 89 5 - 5.9-15.4 HE2 LYS 26 - HB2 LYS 36 far 4 81 5 - 6.2-21.1 HE3 LYS 26 - HB2 LYS 36 far 4 80 5 - 6.2-21.3 HE2 LYS 31 - HB3 LYS 26 lone 1 100 20 7 5.9-13.4 9008/10751=3, 10766/10898=2 HE3 LYS 24 - HB3 LYS 26 far 0 96 0 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 0 81 0 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 94 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 95 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 52 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 80 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 100 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 96 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 100 0 - 10.0-19.9 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 44 assignments used, quality = 1.00: * HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.2-5.5 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 94 94 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 94 94 100 100 2.4-4.7 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.6-5.3 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.2-4.6 4.9=100 HE2 LYS 26 - HB3 LYS 24 far 15 100 15 - 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 far 15 100 15 - 5.9-13.4 HE2 LYS 31 - HB3 LYS 19 far 14 95 15 - 6.1-19.6 HE3 LYS 31 - HB3 LYS 19 far 14 92 15 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.2-9.7 HE3 LYS 31 - HB3 LYS 26 far 10 98 10 - 6.8-13.2 HE3 LYS 31 - HB2 LYS 36 far 8 77 10 - 6.7-12.2 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.0-21.5 HE3 LYS 26 - HB3 LYS 31 far 5 100 5 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 5 99 5 - 6.0-15.4 HE3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.4-20.0 HE3 LYS 31 - HB3 LYS 24 far 5 98 5 - 5.6-21.1 HE2 LYS 26 - HB3 LYS 19 far 5 95 5 - 6.7-19.5 HE2 LYS 24 - HB3 LYS 19 far 5 92 5 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 19 far 4 84 5 - 5.9-15.4 HE3 LYS 26 - HB2 LYS 36 far 4 81 5 - 6.2-21.3 HE2 LYS 26 - HB2 LYS 36 far 4 80 5 - 6.2-21.1 HE3 LYS 24 - HB3 LYS 26 far 0 92 0 - 7.0-14.0 HE2 LYS 31 - HB2 LYS 36 far 0 80 0 - 7.1-11.6 HE2 LYS 19 - HB3 LYS 24 far 0 99 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 90 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 97 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 46 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 98 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 79 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 99 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 627 from aliabs.peaks (4.27, 1.43, 24.54 ppm; 3.88 A): 4 out of 36 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 100 100 3.4-4.2 4.0=88, 2.9/6252=64...(30) HA LYS 19 + HG3 LYS 19 OK 96 97 100 100 3.8-4.2 4.2=81, 3.0/6152=44...(40) HA GLN 27 + HG2 LYS 26 OK 27 81 35 96 3.9-6.9 3.0/6264=39, ~6265=39...(24) HA LEU 22 + HG3 LYS 24 OK 22 67 55 60 3.8-7.1 409/10712=18, ~1309=13...(12) HA ALA 28 - HG2 LYS 26 poor 15 73 20 - 3.5-9.6 HA ALA 16 - HG3 LYS 19 far 14 94 15 - 2.8-10.1 HA ARG 23 - HG2 LYS 26 far 5 97 5 - 2.4-10.5 HA THR 18 - HG3 LYS 19 far 4 89 5 - 4.2-6.9 HA ARG 23 - HG3 LYS 24 far 0 63 0 - 5.0-7.0 HA THR 25 - HG2 LYS 26 far 0 78 0 - 5.1-6.7 HA LYS 31 - HG2 LYS 26 far 0 100 0 - 5.5-15.2 HA LYS 19 - HG3 LYS 24 far 0 67 0 - 5.7-13.9 HA THR 25 - HG3 LYS 24 far 0 46 0 - 5.9-7.1 HA ALA 15 - HG3 LYS 19 far 0 92 0 - 6.2-12.6 HA ALA 28 - HG3 LYS 24 far 0 42 0 - 6.5-15.3 HA SER 74 - HG3 LYS 19 far 0 77 0 - 6.7-32.9 HA ALA 12 - HG3 LYS 19 far 0 83 0 - 6.8-21.3 HA ALA 21 - HG3 LYS 19 far 0 60 0 - 6.8-8.2 HA THR 18 - HG3 LYS 24 far 0 59 0 - 6.9-13.6 HA ARG 23 - HG3 LYS 19 far 0 93 0 - 7.0-10.2 HA GLN 61 - HG3 LYS 24 far 0 62 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 68 0 - 7.1-9.9 HA LEU 22 - HG2 LYS 26 far 0 100 0 - 7.3-15.0 HA ALA 21 - HG3 LYS 24 far 0 37 0 - 7.4-9.5 HA ALA 28 - HG3 LYS 19 far 0 68 0 - 7.5-18.7 HA ALA 21 - HG2 LYS 26 far 0 65 0 - 7.6-16.6 HA LYS 31 - HG3 LYS 24 far 0 68 0 - 7.8-22.0 HA GLN 27 - HG3 LYS 19 far 0 75 0 - 7.8-18.4 HA LYS 26 - HG3 LYS 19 far 0 97 0 - 8.0-16.1 HA LYS 36 - HG2 LYS 26 far 0 90 0 - 8.0-20.6 HA LYS 19 - HG2 LYS 26 far 0 100 0 - 8.6-19.4 HA ALA 110 - HG3 LYS 24 far 0 55 0 - 9.0-50.5 HA LEU 22 - HG3 LYS 19 far 0 97 0 - 9.1-10.3 HA LYS 31 - HG3 LYS 19 far 0 97 0 - 9.3-20.3 HA GLN 27 - HG3 LYS 24 far 0 48 0 - 9.7-13.5 HA GLN 61 - HG2 LYS 26 far 0 97 0 - 9.8-39.3 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 15 assignments used, quality = 1.00: * HB2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.7-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 2.9=100 HB2 ARG 23 - HG2 LYS 26 far 10 99 10 - 3.3-12.5 HB2 LYS 31 - HG2 LYS 26 far 5 100 5 - 4.2-12.5 HB2 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.1-11.3 HB2 LYS 26 - HG3 LYS 24 far 0 68 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 95 0 - 5.6-9.7 HB2 ARG 23 - HG3 LYS 24 far 0 65 0 - 6.2-8.2 HB2 LYS 19 - HG3 LYS 24 far 0 68 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 68 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.7-18.0 HB2 LYS 31 - HG3 LYS 19 far 0 97 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 97 0 - 8.9-14.4 HB2 LYS 19 - HG2 LYS 26 far 0 100 0 - 9.3-19.5 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 18 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.2-2.5 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-2.8 2.9=100 HB3 ARG 23 - HG2 LYS 26 far 10 100 10 - 2.9-12.1 HB ILE 32 - HG2 LYS 26 far 5 100 5 - 4.2-14.8 HB3 LYS 24 - HG2 LYS 26 far 0 100 0 - 4.7-10.8 HB3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.2-13.4 HB3 ARG 23 - HG3 LYS 24 far 0 67 0 - 5.8-7.9 HB ILE 32 - HG3 LYS 19 far 0 96 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 67 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 6.5-10.5 HB3 LYS 19 - HG3 LYS 24 far 0 65 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 68 0 - 6.8-11.9 HB2 LYS 36 - HG2 LYS 26 far 0 100 0 - 7.1-19.6 HB3 LYS 24 - HG3 LYS 19 far 0 97 0 - 7.5-15.4 HB3 LYS 19 - HG2 LYS 26 far 0 99 0 - 7.8-18.8 HB3 LYS 31 - HG3 LYS 19 far 0 97 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.6-17.8 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 26 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 28 - HG2 LYS 26 far 10 100 10 - 3.2-8.8 QB ALA 16 - HG3 LYS 19 far 0 93 0 - 3.7-9.6 QB ALA 29 - HG2 LYS 26 far 0 100 0 - 4.0-11.8 QB ALA 28 - HG3 LYS 19 far 0 97 0 - 4.5-15.9 HG3 LYS 31 - HG2 LYS 26 far 0 100 0 - 4.5-14.4 QB ALA 15 - HG3 LYS 19 far 0 97 0 - 4.7-9.9 HG3 LYS 26 - HG3 LYS 24 far 0 68 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 72 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 67 0 - 5.3-14.6 QB ALA 29 - HG3 LYS 19 far 0 97 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 67 0 - 7.1-15.8 HG2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.3-11.8 HG3 LYS 31 - HG3 LYS 19 far 0 96 0 - 8.0-19.1 HG2 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.1-13.1 HG2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.1-18.8 HG3 LYS 31 - HG3 LYS 24 far 0 67 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 68 0 - 8.1-44.1 HG3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 62 0 - 8.9-13.9 HG2 LYS 36 - HG2 LYS 26 far 0 100 0 - 9.0-22.2 QB ALA 16 - HG3 LYS 24 far 0 63 0 - 9.6-16.6 QB ALA 12 - HG3 LYS 24 far 0 46 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 68 0 - 9.9-18.6 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 2.3-2.9 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 66 66 100 100 2.6-3.0 3.0=100 HD2 LYS 26 - HG3 LYS 24 far 3 68 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 3 67 5 - 3.7-12.6 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 100 0 - 6.9-21.0 HD3 LYS 31 - HG3 LYS 24 far 0 68 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 99 0 - 7.5-13.0 HD3 LYS 36 - HG2 LYS 26 far 0 100 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 67 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.9-13.6 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 64 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 97 0 - 9.9-15.8 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 2.3-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 64 64 100 100 2.6-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 24 far 3 68 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 3 67 5 - 3.9-13.0 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.4-14.1 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.0-20.3 HD2 LYS 31 - HG2 LYS 26 far 0 99 0 - 6.1-14.1 HD3 LYS 31 - HG3 LYS 19 far 0 96 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.6 HD2 LYS 36 - HG2 LYS 26 far 0 100 0 - 6.9-21.0 HD3 LYS 31 - HG3 LYS 24 far 0 67 0 - 7.5-22.9 HD3 LYS 24 - HG2 LYS 26 far 0 98 0 - 7.5-13.0 HD3 LYS 36 - HG2 LYS 26 far 0 100 0 - 7.7-22.7 HD2 LYS 31 - HG3 LYS 19 far 0 95 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 65 0 - 7.9-22.8 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.9-13.6 HD3 LYS 19 - HG2 LYS 26 far 0 93 0 - 8.9-21.1 HD2 LYS 19 - HG3 LYS 24 far 0 61 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 97 0 - 9.9-15.8 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 24 assignments used, quality = 1.00: * HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-4.2 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 2.2-4.2 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 61 61 100 100 2.0-4.2 4.0=100 HE2 LYS 26 - HG3 LYS 24 far 3 68 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 3 67 5 - 4.4-11.8 HE2 LYS 31 - HG3 LYS 24 far 0 68 0 - 5.6-22.4 HE3 LYS 24 - HG2 LYS 26 far 0 96 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 66 0 - 5.9-22.5 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 96 0 - 6.7-20.3 HE2 LYS 31 - HG3 LYS 19 far 0 97 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 99 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 99 0 - 7.4-14.5 HE2 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 100 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 67 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 100 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 100 0 - 9.8-20.6 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 24 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 2.3-4.2 3.6=100 HE2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.2-4.2 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 57 57 100 100 2.0-4.2 4.0=100 HE3 LYS 26 - HG3 LYS 24 far 3 68 5 - 4.4-11.8 HE2 LYS 26 - HG3 LYS 24 far 3 67 5 - 4.0-12.7 HE2 LYS 31 - HG3 LYS 24 far 0 67 0 - 5.6-22.4 HE3 LYS 24 - HG2 LYS 26 far 0 92 0 - 5.7-14.5 HE3 LYS 31 - HG3 LYS 24 far 0 64 0 - 5.9-22.5 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.4-20.1 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.5-14.2 HE3 LYS 31 - HG3 LYS 19 far 0 94 0 - 6.7-20.3 HE2 LYS 31 - HG3 LYS 19 far 0 97 0 - 7.1-19.3 HE2 LYS 24 - HG2 LYS 26 far 0 98 0 - 7.1-13.9 HE3 LYS 31 - HG2 LYS 26 far 0 98 0 - 7.4-14.5 HE2 LYS 24 - HG3 LYS 19 far 0 94 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 86 0 - 8.0-16.3 HE3 LYS 36 - HG2 LYS 26 far 0 100 0 - 8.3-22.8 HE2 LYS 19 - HG3 LYS 24 far 0 66 0 - 8.5-16.5 HE2 LYS 36 - HG2 LYS 26 far 0 100 0 - 8.9-21.9 HE2 LYS 19 - HG2 LYS 26 far 0 99 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 638 from aliabs.peaks (4.27, 1.38, 24.54 ppm; 3.90 A): 8 out of 51 assignments used, quality = 1.00: * HA LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.5-3.8 4.0=89, 2.9/6253=65...(31) HA LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-3.7 3.8=100 HA LYS 19 + HG2 LYS 19 OK 89 89 100 100 3.5-3.7 4.2=83, 11764/10714=46...(40) HA THR 25 + HG3 LYS 26 OK 65 78 85 97 3.5-5.3 11150=68, 3.6/6253=56...(17) HA LYS 36 + HG2 LYS 36 OK 49 49 100 100 2.9-3.8 4.1=84, 3.0/6394=63...(29) HA LEU 22 + HG2 LYS 24 OK 45 97 70 67 2.6-6.1 409/10703=24...(13) HA THR 18 + HG2 LYS 19 OK 41 81 55 93 3.3-5.3 226/6151=40...(15) HA ARG 23 + HG2 LYS 24 OK 35 94 45 84 3.7-6.5 424/6222=72, 2.9/832=15...(9) HA ALA 16 - HG2 LYS 19 poor 17 86 20 - 2.8-8.6 HA GLN 27 - HG3 LYS 26 far 12 81 15 - 4.5-6.6 HA ARG 23 - HG3 LYS 26 far 10 97 10 - 2.5-9.1 HA ALA 28 - HG3 LYS 26 far 7 73 10 - 4.2-8.9 HA LYS 26 - HG3 LYS 31 far 5 99 5 - 4.7-12.7 HA LYS 19 - HG3 LYS 31 far 5 99 5 - 3.8-19.8 HA LYS 19 - HG2 LYS 24 far 5 97 5 - 4.2-13.3 HA THR 25 - HG2 LYS 24 far 4 73 5 - 4.6-6.6 HA THR 25 - HG3 LYS 31 far 0 76 0 - 5.5-16.5 HA THR 18 - HG3 LYS 31 far 0 92 0 - 5.6-23.8 HA ALA 21 - HG2 LYS 19 far 0 53 0 - 6.0-8.5 HA THR 18 - HG2 LYS 24 far 0 90 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 61 0 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 0 96 0 - 6.1-18.5 HA ALA 15 - HG2 LYS 19 far 0 83 0 - 6.3-11.0 HA LYS 31 - HG3 LYS 26 far 0 100 0 - 6.6-15.0 HA LEU 22 - HG3 LYS 31 far 0 99 0 - 6.6-23.6 HA ALA 12 - HG2 LYS 19 far 0 74 0 - 6.7-20.0 HA GLN 27 - HG3 LYS 31 far 0 78 0 - 6.9-12.2 HA LYS 31 - HG2 LYS 24 far 0 98 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 97 0 - 6.9-24.0 HA ALA 28 - HG2 LYS 24 far 0 69 0 - 7.0-14.6 HA ARG 23 - HG2 LYS 19 far 0 84 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 98 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 100 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 68 0 - 7.6-32.7 HA ALA 15 - HG3 LYS 31 far 0 95 0 - 7.7-25.1 HA ALA 28 - HG2 LYS 19 far 0 60 0 - 7.7-18.4 HA ALA 28 - HG3 LYS 31 far 0 71 0 - 8.0-12.0 HA GLN 61 - HG2 LYS 24 far 0 93 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 63 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 100 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 89 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 60 0 - 8.4-12.7 HA GLN 27 - HG2 LYS 19 far 0 66 0 - 8.4-18.4 HA ALA 21 - HG3 LYS 26 far 0 65 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 90 0 - 8.6-16.3 HA GLN 27 - HG2 LYS 24 far 0 76 0 - 8.6-13.1 HA LYS 36 - HG3 LYS 26 far 0 90 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 97 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 89 0 - 9.1-20.6 HA LYS 36 - HG3 LYS 31 far 0 88 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 40 0 - 9.9-21.7 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 23 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 2.4-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.3-2.9 2.9=100 HB2 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.4-2.9 3.0=100 HB2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.2-14.0 HB2 ARG 23 - HG3 LYS 26 far 10 99 10 - 4.1-11.6 HB2 LYS 24 - HG3 LYS 26 far 5 100 5 - 3.5-10.3 HB2 ARG 23 - HG2 LYS 24 far 5 96 5 - 4.5-7.5 HB2 LYS 31 - HG3 LYS 26 far 0 100 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 87 0 - 5.5-9.9 HB2 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.0-18.8 HB2 LYS 26 - HG2 LYS 24 far 0 98 0 - 6.0-10.8 HB2 ARG 23 - HG3 LYS 31 far 0 98 0 - 6.0-20.0 HB2 LYS 31 - HG2 LYS 24 far 0 98 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 98 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 99 0 - 6.9-19.1 HB2 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 89 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 89 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 47 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.4-18.8 HB2 LYS 26 - HG2 LYS 36 far 0 60 0 - 9.9-20.9 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 2.7-3.0 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 2.7-3.0 2.9=100 HB3 LYS 19 + HG2 LYS 19 OK 86 86 100 100 2.7-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.9-3.0 3.0=100 HB3 ARG 23 - HG3 LYS 26 far 10 100 10 - 2.4-11.0 HB3 LYS 24 - HG3 LYS 26 far 10 100 10 - 3.4-9.5 HB3 LYS 26 - HG3 LYS 31 far 5 99 5 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 0 99 0 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 0 99 0 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 100 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 97 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 95 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 97 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 89 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 59 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 89 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 99 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 98 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 89 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 89 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 100 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 97 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 50 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 60 0 - 9.9-14.8 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 31 assignments used, quality = 1.00: * HG2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 87 87 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 84 84 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 31 31 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 10 100 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 5 99 5 - 3.1-8.2 QB ALA 34 - HG3 LYS 26 far 0 90 0 - 4.1-17.6 QB ALA 34 - HG2 LYS 19 far 0 76 0 - 4.4-22.3 HG2 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 68 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 89 0 - 5.2-11.1 QB ALA 34 - HG2 LYS 36 far 0 49 0 - 5.8-7.4 HG2 LYS 31 - HG2 LYS 24 far 0 64 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 55 0 - 6.4-19.9 QB ALA 34 - HG2 LYS 24 far 0 86 0 - 6.7-25.2 HG13 ILE 32 - HG2 LYS 19 far 0 89 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 98 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 60 0 - 7.4-11.7 QB ALA 34 - HG3 LYS 31 far 0 88 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 63 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 34 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 98 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 96 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 86 0 - 8.1-21.8 HG3 LYS 36 - HG3 LYS 31 far 0 61 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 98 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 74 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 60 0 - 9.0-22.2 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 43 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.4-2.9 2.9=100 HD3 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 31 + HG3 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 85 85 100 100 2.4-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 99 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 97 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 89 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 98 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 97 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 90 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 89 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 96 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 89 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 98 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 94 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 100 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 95 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 59 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 89 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 49 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 43 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 88 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 99 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 644 from aliabs.peaks (1.66, 1.38, 24.54 ppm; 3.39 A): 10 out of 43 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.4-2.9 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 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 82 82 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-2.8 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 99 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 97 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 89 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 98 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 89 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 90 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 94 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 87 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 96 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 91 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 100 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 91 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 58 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 59 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 89 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 89 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 45 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 93 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 47 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 85 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 99 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 645 from aliabs.peaks (2.96, 1.38, 24.54 ppm; 4.12 A): 10 out of 42 assignments used, quality = 1.00: * HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.1-4.2 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 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.7-4.1 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-4.0 4.0=100 HE2 LYS 31 - HG2 LYS 24 far 5 98 5 - 4.0-21.2 HE2 LYS 26 - HG2 LYS 24 far 5 98 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 5 97 5 - 4.7-11.5 HE3 LYS 31 - HG2 LYS 24 far 5 96 5 - 4.3-21.5 HE3 LYS 24 - HG3 LYS 26 far 5 96 5 - 4.3-13.1 HE3 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 98 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 37 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 90 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 88 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 88 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 99 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 94 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 82 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 90 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 89 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 58 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 28 0 - 9.9-17.4 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 2.0-4.1 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 94 94 100 100 2.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 88 88 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 88 88 100 100 2.7-4.1 3.8=100 HE3 LYS 24 + HG2 LYS 24 OK 87 87 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-4.0 4.0=100 HE3 LYS 26 - HG2 LYS 24 far 5 98 5 - 4.7-11.5 HE2 LYS 31 - HG2 LYS 24 far 5 97 5 - 4.0-21.2 HE2 LYS 26 - HG2 LYS 24 far 5 97 5 - 4.8-12.5 HE3 LYS 31 - HG2 LYS 24 far 5 94 5 - 4.3-21.5 HE3 LYS 24 - HG3 LYS 26 far 5 92 5 - 4.3-13.1 HE3 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 98 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 96 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 32 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 89 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 85 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 85 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 98 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 90 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 78 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 89 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 96 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 56 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.8-21.9 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 112 assignments used, quality = 1.00: * HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.8-5.5 5.0=100 HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.8 5.2=100 HA LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.5-5.2 5.0=100 HA LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.0-4.9 5.2=100 HA LYS 36 + HD3 LYS 36 OK 82 82 100 100 4.1-5.2 5.3=100 HA LYS 36 + HD2 LYS 36 OK 82 82 100 100 4.2-5.0 5.3=100 HA LEU 22 + HD2 LYS 24 OK 79 95 95 88 2.0-8.9 ~1309=30, 11967/3.0=28...(13) HA THR 25 + HD2 LYS 26 OK 78 78 100 100 3.0-7.4 11150/2.9=68, 582/5.7=64...(15) HA THR 25 + HD3 LYS 26 OK 77 77 100 100 4.3-7.0 11150/2.9=68, 582/5.7=64...(17) HA LYS 19 + HD2 LYS 19 OK 77 77 100 100 3.6-5.5 5.2=100 HA GLN 27 + HD2 LYS 26 OK 77 81 95 100 3.8-7.8 ~6265=83, ~6264=65...(22) HA ARG 23 + HD3 LYS 24 OK 76 87 90 97 3.7-7.9 424/5.9=87, ~832=28...(19) HA GLN 27 + HD3 LYS 26 OK 76 80 95 100 5.5-7.8 ~6265=83, ~6264=65...(22) HA LYS 19 + HD3 LYS 19 OK 72 72 100 100 3.9-5.5 5.2=100 HA ARG 23 + HD2 LYS 24 OK 71 90 80 98 4.8-8.7 424/5.9=87, ~832=28...(22) HA THR 18 + HD2 LYS 19 OK 68 68 100 100 5.2-7.4 3.2/10696=95, 226/6.2=78...(15) HA THR 25 + HD3 LYS 24 OK 66 66 100 100 3.4-7.5 ~6234=83, ~6235=68...(18) HA LEU 22 + HD3 LYS 24 OK 66 91 85 85 1.9-8.8 ~1309=30, 11967/3.0=28...(13) HA THR 18 + HD3 LYS 19 OK 61 64 95 100 5.1-7.8 ~10696=95, 226/6.2=78...(15) HA THR 25 + HD2 LYS 24 OK 42 70 60 100 5.2-8.2 ~6234=83, ~6235=68...(17) HA ALA 28 + HD2 LYS 26 OK 34 73 65 70 3.8-10.7 ~10771=42, 3.0/10771=41...(7) HA ALA 28 + HD3 LYS 26 OK 22 72 45 68 4.4-10.1 3.0/10771=46, ~10771=35...(4) HA LYS 31 - HD3 LYS 26 poor 20 100 20 - 5.0-16.1 HA ARG 23 - HD3 LYS 26 poor 19 97 20 - 3.6-11.3 HA GLN 27 - HD3 LYS 31 poor 16 80 20 - 4.6-13.2 HA GLN 27 - HD2 LYS 31 poor 16 79 20 - 5.4-13.0 HA LYS 26 - HD3 LYS 31 far 15 100 15 - 6.9-14.5 HA ARG 23 - HD2 LYS 26 far 15 97 15 - 2.1-11.5 HA ARG 23 - HD3 LYS 31 far 15 97 15 - 6.1-18.9 HA ARG 23 - HD2 LYS 31 far 14 96 15 - 6.6-18.6 HA ALA 21 - HD3 LYS 24 poor 14 55 25 - 5.9-11.8 HA LYS 31 - HD2 LYS 26 poor 12 100 30 39 3.8-16.5 10816/10842=15...(7) HA LYS 19 - HD2 LYS 31 far 10 99 10 - 3.8-21.0 HA LYS 26 - HD2 LYS 31 far 10 99 10 - 7.2-14.5 HA LYS 19 - HD2 LYS 24 far 9 95 10 - 6.1-16.0 HA LYS 31 - HD2 LYS 36 far 9 94 10 - 7.2-10.8 HA LYS 26 - HD3 LYS 24 far 9 92 10 - 7.3-10.3 HA LYS 19 - HD3 LYS 24 far 9 91 10 - 6.6-15.8 HA THR 25 - HD2 LYS 31 far 8 76 10 - 6.8-18.4 HA ALA 16 - HD2 LYS 19 lone 7 74 75 12 3.4-10.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 6 69 75 11 2.1-10.6 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 2.1-21.0 HA LEU 22 - HD3 LYS 31 far 5 100 5 - 5.1-21.9 HA LEU 22 - HD2 LYS 26 far 5 100 5 - 6.5-15.3 HA LEU 22 - HD3 LYS 26 far 5 100 5 - 7.0-14.7 HA LEU 22 - HD2 LYS 31 far 5 99 5 - 6.7-22.4 HA ALA 16 - HD3 LYS 31 far 5 99 5 - 7.3-24.5 HA ALA 16 - HD2 LYS 31 far 5 97 5 - 5.6-24.7 HA GLN 61 - HD2 LYS 26 far 5 97 5 - 7.0-40.9 HA ALA 15 - HD3 LYS 31 far 5 96 5 - 7.4-27.2 HA ALA 15 - HD2 LYS 31 far 5 95 5 - 5.8-26.3 HA THR 18 - HD3 LYS 31 far 5 94 5 - 6.1-23.4 HA THR 18 - HD2 LYS 31 far 5 93 5 - 7.4-23.7 HA LYS 36 - HD2 LYS 31 far 4 89 5 - 7.5-14.9 HA THR 18 - HD2 LYS 24 far 4 87 5 - 6.6-15.6 HA THR 25 - HD3 LYS 31 far 4 78 5 - 7.5-18.2 HA LYS 31 - HD2 LYS 19 far 4 77 5 - 6.6-20.6 HA LYS 31 - HD3 LYS 19 far 4 72 5 - 7.5-21.8 HA ALA 21 - HD2 LYS 26 far 3 65 5 - 6.4-17.5 HA ALA 12 - HD2 LYS 19 far 3 62 5 - 7.5-20.7 HA ALA 28 - HD3 LYS 24 far 3 62 5 - 6.2-15.8 HA ALA 12 - HD3 LYS 19 far 3 58 5 - 6.6-19.4 HA SER 74 - HD2 LYS 19 far 3 57 5 - 7.0-33.1 HA GLN 27 - HD2 LYS 19 far 3 55 5 - 7.5-19.3 HA SER 74 - HD3 LYS 19 far 3 53 5 - 5.6-34.0 HA ALA 28 - HD2 LYS 19 far 2 49 5 - 6.9-20.2 HA ALA 21 - HD2 LYS 19 far 2 43 5 - 7.5-10.6 HA ALA 21 - HD3 LYS 19 far 2 40 5 - 7.7-10.6 HA ALA 15 - HD3 LYS 19 lone 1 66 50 3 4.8-12.5 HA ALA 15 - HD2 LYS 19 lone 1 71 40 3 4.4-12.5 HA ALA 21 - HD2 LYS 24 lone 1 58 35 3 5.0-11.7 HA GLN 27 - HD3 LYS 19 far 0 51 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 73 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 89 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 64 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 65 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 46 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 83 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 90 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 71 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 65 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 90 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 86 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 96 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 67 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 72 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 95 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 69 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 95 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 77 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 95 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 94 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 89 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 73 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 82 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 72 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 88 0 - 9.4-36.0 HA SER 124 - HD2 LYS 95 far 0 67 0 - 9.5-13.8 HA LYS 31 - HD3 LYS 24 far 0 92 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 96 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 100 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 94 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 98 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 64 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 9.7-25.1 HA ALA 28 - HD2 LYS 36 far 0 65 0 - 9.7-15.3 HA THR 25 - HD2 LYS 36 far 0 70 0 - 9.7-20.9 HA SER 124 - HD3 LYS 95 far 0 69 0 - 9.8-13.9 HA LEU 22 - HD2 LYS 19 far 0 77 0 - 9.9-12.2 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 2.0-4.0 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 1.9-3.7 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 3.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 1.9-4.1 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.3-3.6 3.9=100 HB2 LYS 24 - HD2 LYS 26 far 10 100 10 - 3.8-12.9 HB2 ARG 23 - HD2 LYS 24 far 9 93 10 - 5.4-10.0 HB2 ARG 23 - HD3 LYS 24 far 9 89 10 - 4.6-9.3 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.6-14.8 HB2 LYS 26 - HD2 LYS 31 far 5 99 5 - 5.5-14.9 HB2 ARG 23 - HD2 LYS 26 far 5 99 5 - 4.1-14.0 HB2 LYS 19 - HD2 LYS 31 far 5 99 5 - 5.5-20.9 HB2 ARG 23 - HD3 LYS 26 far 5 98 5 - 5.5-13.8 HB2 LYS 31 - HD2 LYS 26 lone 3 100 30 9 2.4-13.9 809/6347=5, 6331/6335=2 HB2 LYS 31 - HD3 LYS 26 lone 2 100 25 7 2.6-13.4 809/6348=4 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 98 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 77 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 92 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 70 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 99 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 72 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 95 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 95 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 75 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 96 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 100 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 95 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 95 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 98 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 92 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 98 0 - 8.6-11.4 HB2 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 77 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 92 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 651 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 5.70 A): 16 out of 67 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.3-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.5 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.0-3.6 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.1-3.7 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 74 74 100 100 2.9-3.9 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 69 69 100 100 2.4-4.2 3.9=100 HB ILE 32 + HD2 LYS 36 OK 41 94 55 78 4.6-8.0 6361/10855=55...(7) HB ILE 32 + HD3 LYS 26 OK 40 99 40 100 4.8-14.9 10833/1.8=98, ~10837=43...(37) HB ILE 32 + HD2 LYS 31 OK 39 99 40 98 4.9-9.0 10825/3.0=28...(54) HB VAL 93 + HD3 LYS 95 OK 37 93 45 89 6.0-8.5 11342/5.5=43...(9) HB ILE 32 + HD2 LYS 26 OK 35 100 35 100 4.4-15.8 10833=74, ~10767=65...(39) HB VAL 93 + HD2 LYS 95 OK 32 91 40 88 6.2-8.6 11342/5.5=43...(9) HB3 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.5-15.2 HB ILE 32 - HD3 LYS 31 poor 20 100 20 - 4.6-9.2 HB3 LYS 31 - HD3 LYS 26 poor 20 100 20 - 3.8-14.8 HB3 ARG 23 - HD3 LYS 24 poor 20 91 30 72 5.3-8.7 6221/5.9=17, ~1018=9...(26) HB3 LYS 26 - HD3 LYS 31 far 15 100 15 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 15 100 15 - 4.9-13.2 HB3 LYS 26 - HD2 LYS 31 far 15 99 15 - 5.2-13.2 HB ILE 32 - HD3 LYS 36 far 14 94 15 - 5.8-9.4 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 ARG 23 - HD2 LYS 26 far 10 100 10 - 4.3-13.4 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB3 ARG 23 - HD2 LYS 24 far 9 95 10 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 5 100 5 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 5 99 5 - 6.6-12.8 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.3-19.1 HB3 LYS 19 - HD2 LYS 31 far 5 97 5 - 6.0-19.2 HB3 LYS 31 - HD2 LYS 19 far 4 77 5 - 5.8-18.1 HB3 LYS 31 - HD3 LYS 19 far 4 72 5 - 6.3-19.4 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 98 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 99 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 92 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 72 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 95 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 77 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 89 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 91 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 92 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 92 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 72 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 73 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 77 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 84 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 95 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 77 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 67 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 73 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 69 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 83 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 94 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 652 from aliabs.peaks (1.43, 1.66, 28.90 ppm; 4.83 A): 17 out of 61 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 2.3-2.9 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 77 77 100 100 2.6-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 70 70 100 100 2.4-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 68 68 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 66 66 100 100 2.2-3.0 2.9=100 QB ALA 92 + HD3 LYS 95 OK 60 100 60 100 3.6-6.7 9948/3.7=75, 9950/3.0=70...(23) QB ALA 92 + HD2 LYS 95 OK 59 98 60 100 3.8-6.7 9948/3.7=75, 9950/3.0=70...(23) HG3 LYS 36 + HD3 LYS 36 OK 55 55 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 55 55 100 100 2.3-2.9 3.0=100 QB ALA 34 + HD2 LYS 36 OK 45 82 70 79 5.2-6.9 6364/10855=40...(9) HG13 ILE 32 + HD2 LYS 31 OK 42 99 45 93 3.7-8.9 10757/5.2=36...(31) HG13 ILE 32 + HD2 LYS 26 OK 40 100 40 99 3.0-13.6 ~10767=60, 2.9/10833=52...(34) HG13 ILE 32 + HD3 LYS 26 OK 34 100 35 99 3.5-12.7 ~10833=50, 3.2/10837=35...(36) HG13 ILE 32 + HD3 LYS 31 OK 33 100 35 94 3.4-9.5 10757/5.2=36...(35) QB ALA 34 - HD3 LYS 36 poor 19 82 35 67 4.6-6.4 5.0/10775=23...(10) HG2 LYS 31 - HD3 LYS 26 far 10 67 15 - 3.8-15.2 HG13 ILE 32 - HD2 LYS 36 far 9 94 10 - 5.5-10.0 HG2 LYS 31 - HD2 LYS 26 far 7 68 10 - 4.4-16.1 HG2 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.4-14.1 QB ALA 34 - HD3 LYS 26 poor 5 89 25 21 2.0-17.7 908/10837=13, 6364/10855=7 HG3 LYS 24 - HD2 LYS 26 far 4 89 5 - 3.9-13.0 HG3 LYS 24 - HD3 LYS 26 far 4 88 5 - 3.7-12.6 QB ALA 34 - HD2 LYS 26 lone 4 90 25 18 3.3-18.8 908/10837=13, 6364/854=3 QB ALA 34 - HD3 LYS 24 far 4 78 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 3 64 5 - 4.8-21.3 HG3 LYS 36 - HD2 LYS 26 far 3 63 5 - 5.5-23.5 QB ALA 34 - HD3 LYS 19 far 3 60 5 - 5.2-22.3 QB ALA 34 - HD2 LYS 24 far 0 82 0 - 5.9-26.1 HG3 LYS 19 - HD3 LYS 26 far 0 98 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 99 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 99 0 - 6.4-20.6 QB ALA 34 - HD2 LYS 31 far 0 89 0 - 6.5-11.5 HG3 LYS 36 - HD3 LYS 26 far 0 62 0 - 6.6-22.6 QB ALA 34 - HD3 LYS 31 far 0 90 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 95 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 45 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 60 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 61 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 95 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 63 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 92 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 60 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 87 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 57 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 92 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 42 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 60 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 77 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 72 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 73 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 62 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 95 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 93 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 653 from aliabs.peaks (1.38, 1.66, 28.90 ppm; 4.94 A): 14 out of 95 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.4-2.9 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 2.3-3.0 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 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 97 97 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 96 96 100 100 2.4-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 71 71 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.3-3.0 3.0=100 QB ALA 28 - HD2 LYS 26 poor 20 100 20 - 4.6-9.5 QB ALA 29 - HD2 LYS 26 poor 17 100 30 56 4.1-12.5 10790/10833=46...(5) QB ALA 15 - HD2 LYS 19 poor 15 77 20 - 2.2-10.6 QB ALA 29 - HD3 LYS 26 far 15 100 15 - 4.6-11.8 QB ALA 28 - HD3 LYS 26 far 15 100 15 - 5.0-9.6 HG3 LYS 31 - HD2 LYS 26 far 10 100 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-16.0 QB ALA 15 - HD3 LYS 31 far 5 100 5 - 5.0-22.0 QB ALA 28 - HD3 LYS 31 far 5 100 5 - 5.4-10.1 QB ALA 15 - HD2 LYS 31 far 5 99 5 - 3.7-21.3 HG2 LYS 24 - HD2 LYS 26 far 5 100 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.8-21.8 HG2 LYS 24 - HD3 LYS 26 far 5 99 5 - 5.1-12.5 QB ALA 29 - HD2 LYS 31 far 5 99 5 - 5.8-10.1 QB ALA 16 - HD3 LYS 31 far 5 97 5 - 4.1-20.4 QB ALA 16 - HD2 LYS 31 far 5 96 5 - 2.7-21.0 HG2 LYS 19 - HD3 LYS 31 far 5 96 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 5 94 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 4 77 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 72 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 19 lone 3 72 55 8 2.3-9.2 7141/6.2=2, 3.7/292=1 QB ALA 16 - HD3 LYS 19 lone 3 67 60 7 2.4-9.7 7141/6.2=2 QB ALA 15 - HD3 LYS 19 lone 0 73 30 1 3.1-10.4 QB ALA 12 - HD3 LYS 19 far 0 50 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 53 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 98 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 97 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 96 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 95 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 91 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 77 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 89 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 100 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 86 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 95 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 91 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 77 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 95 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 76 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 92 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 95 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 72 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 72 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 92 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 77 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 94 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 92 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 90 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 97 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 90 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 95 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 76 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 89 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 97 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 94 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 71 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 78 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 90 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 87 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 86 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 94 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 92 0 - 10.0-20.6 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 89 assignments used, quality = 1.00: * HE2 LYS 26 + HD2 LYS 26 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 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 2.2-3.0 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 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 84 84 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 10 100 10 - 6.4-16.8 HE2 LYS 31 - HD3 LYS 26 far 10 100 10 - 6.2-16.5 HE3 LYS 26 - HD2 LYS 36 far 9 94 10 - 5.5-23.0 HE3 LYS 31 - HD2 LYS 36 far 9 93 10 - 5.8-12.0 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.1-22.2 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.3-16.7 HE3 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.5-22.1 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 6.1-14.2 HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.9-24.7 HE3 LYS 31 - HD2 LYS 26 far 5 99 5 - 6.5-16.6 HE3 LYS 26 - HD2 LYS 31 far 5 99 5 - 6.1-16.8 HE2 LYS 24 - HD3 LYS 26 far 5 99 5 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 26 far 5 99 5 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 31 far 5 98 5 - 5.5-24.6 HE3 LYS 24 - HD2 LYS 26 far 5 96 5 - 4.8-14.1 HE3 LYS 24 - HD3 LYS 31 far 5 96 5 - 6.1-24.9 HE2 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-14.2 HE3 LYS 24 - HD3 LYS 26 far 5 95 5 - 3.7-14.5 HE2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.5-22.5 HE3 LYS 26 - HD3 LYS 36 far 5 95 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-12.5 HE2 LYS 26 - HD2 LYS 36 far 5 95 5 - 5.5-22.6 HE2 LYS 31 - HD2 LYS 36 far 5 95 5 - 6.7-11.5 HE3 LYS 24 - HD2 LYS 31 far 5 94 5 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 5 94 5 - 6.2-23.7 HE2 LYS 31 - HD3 LYS 24 far 5 92 5 - 5.5-23.0 HE2 LYS 26 - HD3 LYS 24 far 5 92 5 - 5.6-12.9 HE3 LYS 26 - HD3 LYS 24 far 5 91 5 - 5.1-11.5 HE3 LYS 31 - HD3 LYS 24 far 5 90 5 - 5.0-22.9 HE2 LYS 24 - HD2 LYS 19 far 0 75 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 75 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 65 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 99 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 70 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 77 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 73 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 71 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 71 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 73 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 82 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 65 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 85 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 93 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 72 0 - 9.9-20.9 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 89 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 80 80 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 10 100 10 - 6.4-16.8 HE2 LYS 31 - HD3 LYS 26 far 10 100 10 - 6.2-16.5 HE3 LYS 26 - HD2 LYS 36 far 9 95 10 - 5.5-23.0 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.3-16.7 HE3 LYS 26 - HD2 LYS 31 far 5 99 5 - 6.1-16.8 HE2 LYS 19 - HD3 LYS 31 far 5 99 5 - 6.1-22.2 HE3 LYS 19 - HD3 LYS 31 far 5 99 5 - 6.5-22.1 HE2 LYS 24 - HD2 LYS 26 far 5 98 5 - 6.1-14.2 HE2 LYS 24 - HD3 LYS 31 far 5 98 5 - 5.9-24.7 HE3 LYS 31 - HD2 LYS 26 far 5 98 5 - 6.5-16.6 HE2 LYS 24 - HD3 LYS 26 far 5 97 5 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 26 far 5 97 5 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 31 far 5 97 5 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 5 95 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-12.5 HE2 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-14.2 HE2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.5-22.5 HE2 LYS 26 - HD2 LYS 36 far 5 94 5 - 5.5-22.6 HE2 LYS 31 - HD2 LYS 36 far 5 94 5 - 6.7-11.5 HE3 LYS 24 - HD2 LYS 26 far 5 92 5 - 4.8-14.1 HE3 LYS 26 - HD3 LYS 24 far 5 92 5 - 5.1-11.5 HE3 LYS 24 - HD3 LYS 31 far 5 92 5 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 24 far 5 91 5 - 5.5-23.0 HE2 LYS 26 - HD3 LYS 24 far 5 91 5 - 5.6-12.9 HE3 LYS 24 - HD3 LYS 26 far 5 91 5 - 3.7-14.5 HE3 LYS 31 - HD2 LYS 24 far 5 91 5 - 6.2-23.7 HE3 LYS 31 - HD2 LYS 36 far 5 91 5 - 5.8-12.0 HE3 LYS 24 - HD2 LYS 31 far 5 90 5 - 6.2-24.8 HE3 LYS 31 - HD3 LYS 24 far 4 88 5 - 5.0-22.9 HE2 LYS 24 - HD2 LYS 19 far 0 73 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 91 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 73 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 57 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 58 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 93 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 66 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 77 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 72 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 68 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 68 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 72 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 93 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 88 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 61 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 91 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 91 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.9-20.9 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 112 assignments used, quality = 1.00: * HA LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.5-5.2 5.0=100 HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.8-5.5 5.0=100 HA LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.8 5.2=100 HA LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.0-4.9 5.2=100 HA LYS 36 + HD2 LYS 36 OK 83 83 100 100 4.2-5.0 5.3=100 HA LYS 36 + HD3 LYS 36 OK 83 83 100 100 4.1-5.2 5.3=100 HA LEU 22 + HD2 LYS 24 OK 80 95 95 88 2.0-8.9 ~1309=30, 3.9/10812=28...(13) HA THR 25 + HD3 LYS 26 OK 78 78 100 100 4.3-7.0 11150/2.9=68, 582/5.7=64...(17) HA THR 25 + HD2 LYS 26 OK 77 77 100 100 3.0-7.4 11150/2.9=68, 582/5.7=64...(15) HA GLN 27 + HD3 LYS 26 OK 77 81 95 100 5.5-7.8 ~6265=83, ~6264=65...(22) HA GLN 27 + HD2 LYS 26 OK 75 80 95 100 3.8-7.8 ~6265=83, ~6264=65...(22) HA ARG 23 + HD3 LYS 24 OK 71 81 90 97 3.7-7.9 424/5.9=87, ~832=28...(19) HA ARG 23 + HD2 LYS 24 OK 71 91 80 98 4.8-8.7 424/5.9=87, ~832=28...(22) HA LYS 19 + HD2 LYS 19 OK 69 69 100 100 3.6-5.5 5.2=100 HA LYS 19 + HD3 LYS 19 OK 64 64 100 100 3.9-5.5 5.2=100 HA LEU 22 + HD3 LYS 24 OK 62 86 85 85 1.9-8.8 ~1309=30, 11967/3.0=28...(13) HA THR 25 + HD3 LYS 24 OK 61 61 100 100 3.4-7.5 ~6234=83, ~6235=68...(18) HA THR 18 + HD2 LYS 19 OK 61 61 100 100 5.2-7.4 3.2/10696=90, 226/6.2=78...(15) HA THR 18 + HD3 LYS 19 OK 53 56 95 100 5.1-7.8 ~10696=95, 226/6.2=78...(15) HA THR 25 + HD2 LYS 24 OK 42 70 60 100 5.2-8.2 ~6234=83, ~6235=68...(17) HA ALA 28 + HD2 LYS 26 OK 33 72 65 71 3.8-10.7 3.0/10771=42, ~10771=42...(7) HA ALA 28 + HD3 LYS 26 OK 23 73 45 70 4.4-10.1 3.0/10771=48, ~10771=35...(4) HA LYS 31 - HD3 LYS 26 poor 20 100 20 - 5.0-16.1 HA ARG 23 - HD3 LYS 26 poor 19 97 20 - 3.6-11.3 HA GLN 27 - HD3 LYS 31 poor 16 79 20 - 4.6-13.2 HA GLN 27 - HD2 LYS 31 poor 15 75 20 - 5.4-13.0 HA LYS 26 - HD3 LYS 31 far 15 99 15 - 6.9-14.5 HA ARG 23 - HD2 LYS 26 far 14 97 15 - 2.1-11.5 HA ARG 23 - HD3 LYS 31 far 14 96 15 - 6.1-18.9 HA ARG 23 - HD2 LYS 31 far 14 93 15 - 6.6-18.6 HA ALA 21 - HD3 LYS 24 poor 13 50 25 - 5.9-11.8 HA LYS 31 - HD2 LYS 26 poor 12 100 30 40 3.8-16.5 10816/10842=16...(7) HA LYS 26 - HD2 LYS 31 far 10 97 10 - 7.2-14.5 HA LYS 19 - HD2 LYS 31 far 10 97 10 - 3.8-21.0 HA LYS 31 - HD2 LYS 36 far 10 95 10 - 7.2-10.8 HA LYS 19 - HD2 LYS 24 far 10 95 10 - 6.1-16.0 HA LYS 26 - HD3 LYS 24 far 9 87 10 - 7.3-10.3 HA LYS 19 - HD3 LYS 24 far 9 86 10 - 6.6-15.8 HA THR 25 - HD2 LYS 31 far 7 72 10 - 6.8-18.4 HA ALA 16 - HD2 LYS 19 lone 6 67 75 12 3.4-10.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 5 61 75 11 2.1-10.6 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 99 5 - 2.1-21.0 HA LEU 22 - HD3 LYS 26 far 5 100 5 - 7.0-14.7 HA LEU 22 - HD2 LYS 26 far 5 100 5 - 6.5-15.3 HA LEU 22 - HD3 LYS 31 far 5 99 5 - 5.1-21.9 HA ALA 16 - HD3 LYS 31 far 5 97 5 - 7.3-24.5 HA LEU 22 - HD2 LYS 31 far 5 97 5 - 6.7-22.4 HA GLN 61 - HD2 LYS 26 far 5 96 5 - 7.0-40.9 HA ALA 15 - HD3 LYS 31 far 5 95 5 - 7.4-27.2 HA ALA 16 - HD2 LYS 31 far 5 94 5 - 5.6-24.7 HA THR 18 - HD3 LYS 31 far 5 93 5 - 6.1-23.4 HA ALA 15 - HD2 LYS 31 far 5 92 5 - 5.8-26.3 HA THR 18 - HD2 LYS 31 far 4 89 5 - 7.4-23.7 HA THR 18 - HD2 LYS 24 far 4 87 5 - 6.6-15.6 HA LYS 36 - HD2 LYS 31 far 4 85 5 - 7.5-14.9 HA THR 25 - HD3 LYS 31 far 4 76 5 - 7.5-18.2 HA LYS 31 - HD2 LYS 19 far 3 70 5 - 6.6-20.6 HA ALA 21 - HD2 LYS 26 far 3 64 5 - 6.4-17.5 HA LYS 31 - HD3 LYS 19 far 3 64 5 - 7.5-21.8 HA ALA 28 - HD3 LYS 24 far 3 57 5 - 6.2-15.8 HA ALA 12 - HD2 LYS 19 far 3 56 5 - 7.5-20.7 HA SER 74 - HD2 LYS 19 far 3 51 5 - 7.0-33.1 HA ALA 12 - HD3 LYS 19 far 3 51 5 - 6.6-19.4 HA GLN 27 - HD2 LYS 19 far 2 49 5 - 7.5-19.3 HA SER 74 - HD3 LYS 19 far 2 46 5 - 5.6-34.0 HA ALA 28 - HD2 LYS 19 far 2 44 5 - 6.9-20.2 HA ALA 21 - HD2 LYS 19 far 2 38 5 - 7.5-10.6 HA ALA 21 - HD3 LYS 19 far 2 35 5 - 7.7-10.6 HA ALA 15 - HD3 LYS 19 lone 1 58 50 3 4.8-12.5 HA ALA 15 - HD2 LYS 19 lone 1 64 40 3 4.4-12.5 HA ALA 21 - HD2 LYS 24 lone 1 58 35 3 5.0-11.7 HA GLN 27 - HD3 LYS 19 far 0 45 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 71 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 90 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 65 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 66 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 40 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 78 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 89 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 68 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 64 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 89 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 80 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 97 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 59 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 65 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 94 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 63 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 95 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 70 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 95 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 95 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 90 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 64 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 83 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 73 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 89 0 - 9.4-36.0 HA SER 124 - HD2 LYS 95 far 0 62 0 - 9.5-13.8 HA LYS 31 - HD3 LYS 24 far 0 86 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 97 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 99 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 95 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 94 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 60 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 9.7-25.1 HA ALA 28 - HD2 LYS 36 far 0 66 0 - 9.7-15.3 HA THR 25 - HD2 LYS 36 far 0 71 0 - 9.7-20.9 HA SER 124 - HD3 LYS 95 far 0 68 0 - 9.8-13.9 HA LEU 22 - HD2 LYS 19 far 0 69 0 - 9.9-12.2 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 1.9-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.0 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 3.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 87 87 100 100 1.9-4.1 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 70 70 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.3-3.6 3.9=100 HB2 LYS 24 - HD2 LYS 26 far 10 100 10 - 3.8-12.9 HB2 ARG 23 - HD2 LYS 24 far 9 93 10 - 5.4-10.0 HB2 ARG 23 - HD3 LYS 24 far 8 84 10 - 4.6-9.3 HB2 LYS 24 - HD3 LYS 26 far 5 100 5 - 3.3-12.3 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 5 99 5 - 5.6-14.8 HB2 ARG 23 - HD3 LYS 26 far 5 99 5 - 5.5-13.8 HB2 ARG 23 - HD2 LYS 26 far 5 98 5 - 4.1-14.0 HB2 LYS 26 - HD2 LYS 31 far 5 97 5 - 5.5-14.9 HB2 LYS 19 - HD2 LYS 31 far 5 97 5 - 5.5-20.9 HB2 LYS 31 - HD2 LYS 26 lone 3 100 30 9 2.4-13.9 809/6347=5, 6331/6335=2 HB2 LYS 31 - HD3 LYS 26 lone 2 100 25 7 2.6-13.4 809/6347=4 HB2 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 95 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 70 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 87 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 62 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 97 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 64 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 99 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 95 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 95 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 96 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 67 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 91 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 99 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 95 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 95 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 95 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 94 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 86 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 97 0 - 8.6-11.4 HB2 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 70 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 86 0 - 9.1-20.0 Violated in 0 structures by 0.00 A. Peak 662 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 6.80 A): 20 out of 67 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.3-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.5 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 74 95 90 87 4.6-8.0 6361/10855=63...(7) HB3 LYS 19 + HD2 LYS 19 OK 67 67 100 100 2.9-3.9 3.9=100 HB VAL 93 + HD3 LYS 95 OK 61 92 70 95 6.0-8.5 11342/5.5=57...(9) HB3 LYS 19 + HD3 LYS 19 OK 61 61 100 100 2.4-4.2 3.9=100 HB ILE 32 + HD3 LYS 31 OK 59 99 60 99 4.6-9.2 10825/3.0=35...(54) HB ILE 32 + HD2 LYS 31 OK 58 96 60 99 4.9-9.0 10825/3.0=35...(54) HB ILE 32 + HD3 LYS 26 OK 50 100 50 100 4.8-14.9 10833/1.8=100...(37) HB ILE 32 + HD2 LYS 26 OK 50 99 50 100 4.4-15.8 ~10767=84, 10833=83...(39) HB VAL 93 + HD2 LYS 95 OK 49 86 60 95 6.2-8.6 11342/5.5=57...(9) HB3 ARG 23 + HD2 LYS 24 OK 39 95 50 83 6.3-9.4 6221/5.9=23, ~1018=12...(33) HB3 ARG 23 + HD3 LYS 24 OK 39 86 55 82 5.3-8.7 6221/5.9=23, ~1018=12...(33) HB ILE 32 + HD3 LYS 36 OK 22 95 35 66 5.8-9.4 10761/10775=34...(6) HB3 ARG 23 - HD3 LYS 26 poor 20 100 20 - 4.9-13.2 HB3 LYS 26 - HD2 LYS 31 poor 19 97 20 - 5.2-13.2 HB3 LYS 26 - HD3 LYS 31 far 15 99 15 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 31 far 15 99 15 - 6.4-20.4 HB3 LYS 24 - HD3 LYS 26 far 10 100 10 - 2.8-11.2 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 ARG 23 - HD2 LYS 26 far 10 100 10 - 4.3-13.4 HB2 LYS 36 - HD3 LYS 31 far 10 99 10 - 7.3-13.1 HB2 LYS 36 - HD2 LYS 31 far 10 97 10 - 6.6-12.8 HB3 ARG 23 - HD2 LYS 31 far 10 97 10 - 6.9-20.0 HB3 LYS 19 - HD2 LYS 31 far 9 94 10 - 6.0-19.2 HB3 LYS 31 - HD3 LYS 26 poor 7 100 30 25 3.8-14.8 4.6/6347=8, 10749/10842=1 HB3 LYS 31 - HD2 LYS 26 poor 7 100 30 24 3.5-15.2 4.6/6347=9, 6332/6335=3 HB2 LYS 36 - HD3 LYS 26 far 5 100 5 - 7.3-20.6 HB2 LYS 36 - HD2 LYS 26 far 5 100 5 - 7.1-21.4 HB3 LYS 24 - HD3 LYS 31 far 5 99 5 - 7.5-22.0 HB3 LYS 19 - HD3 LYS 26 far 5 99 5 - 7.1-19.3 HB3 LYS 19 - HD2 LYS 26 far 5 98 5 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 31 far 5 97 5 - 4.3-19.1 HB3 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.8-20.9 HB3 LYS 31 - HD2 LYS 19 far 3 69 5 - 5.8-18.1 HB3 LYS 31 - HD3 LYS 19 far 3 64 5 - 6.3-19.4 HB3 LYS 24 - HD2 LYS 31 far 0 97 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 86 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 64 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 96 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 69 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 83 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 86 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 87 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 93 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 63 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 93 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 95 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 64 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 70 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 84 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 95 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 69 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 62 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 64 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 68 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 84 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 70 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 95 0 - 9.8-24.4 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 61 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 QB ALA 92 + HD3 LYS 95 OK 99 99 100 100 3.6-6.7 9948/3.7=94, 9950/3.0=92...(23) QB ALA 92 + HD2 LYS 95 OK 94 94 100 100 3.8-6.7 9948/3.7=94, 9950/3.0=92...(23) HG3 LYS 24 + HD2 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 71 83 95 91 5.2-6.9 6364/10855=55...(9) HG3 LYS 24 + HD3 LYS 24 OK 71 71 100 100 2.6-3.0 3.0=100 QB ALA 34 + HD3 LYS 36 OK 68 83 100 82 4.6-6.4 5.0/10775=34...(10) HG3 LYS 19 + HD2 LYS 19 OK 67 67 100 100 2.3-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 66 66 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 63 63 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.4-3.0 3.0=100 HG13 ILE 32 + HD3 LYS 31 OK 59 99 60 99 3.4-9.5 10757/5.2=55...(51) HG3 LYS 36 + HD2 LYS 36 OK 56 56 100 100 2.3-2.9 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 56 56 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 52 97 55 99 3.7-8.9 10757/5.2=55...(49) HG13 ILE 32 + HD3 LYS 26 OK 50 100 50 100 3.5-12.7 ~10833=72, 1.8/10767=49...(56) HG13 ILE 32 + HD2 LYS 26 OK 45 100 45 100 3.0-13.6 ~10767=83, 2.9/10833=76...(56) HG2 LYS 31 - HD2 LYS 26 poor 17 67 25 - 4.4-16.1 HG13 ILE 32 - HD2 LYS 36 far 14 95 15 - 5.5-10.0 HG2 LYS 31 - HD3 LYS 26 poor 14 68 20 - 3.8-15.2 QB ALA 34 - HD2 LYS 31 far 13 85 15 - 6.5-11.5 QB ALA 34 - HD3 LYS 26 poor 10 90 40 28 2.0-17.7 908/10837=16, 6364/10855=11 HG2 LYS 26 - HD3 LYS 31 far 10 99 10 - 5.4-14.1 HG3 LYS 24 - HD3 LYS 26 far 9 89 10 - 3.7-12.6 HG3 LYS 24 - HD2 LYS 26 far 9 88 10 - 3.9-13.0 QB ALA 34 - HD2 LYS 26 poor 6 89 30 22 3.3-18.8 908/10837=16, 6364/854=4 QB ALA 34 - HD3 LYS 19 far 5 52 10 - 5.2-22.3 HG3 LYS 19 - HD3 LYS 26 far 5 99 5 - 6.0-20.3 HG3 LYS 19 - HD2 LYS 26 far 5 98 5 - 6.4-20.6 HG3 LYS 19 - HD3 LYS 31 far 5 98 5 - 6.2-18.7 HG2 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.1-14.1 QB ALA 34 - HD2 LYS 24 far 4 83 5 - 5.9-26.1 QB ALA 34 - HD3 LYS 24 far 4 73 5 - 5.1-26.2 HG3 LYS 36 - HD3 LYS 26 far 3 63 5 - 6.6-22.6 HG3 LYS 36 - HD2 LYS 26 far 3 62 5 - 5.5-23.5 QB ALA 34 - HD2 LYS 19 far 3 57 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 31 far 0 89 0 - 6.9-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 96 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 40 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 61 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 58 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 95 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 61 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 87 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 87 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 61 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 95 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 83 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 53 0 - 7.9-22.0 HG13 ILE 32 - HD3 LYS 24 far 0 86 0 - 8.1-21.0 HG2 LYS 31 - HD3 LYS 19 far 0 36 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 61 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 70 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 64 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 64 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 56 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 95 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 93 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 664 from aliabs.peaks (1.38, 1.66, 28.90 ppm; 5.46 A): 15 out of 95 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.4-2.9 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 2.9=100 HG2 LYS 36 + HD2 LYS 36 OK 96 96 100 100 2.4-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-2.8 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 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 92 92 100 100 2.4-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 64 64 100 100 2.4-3.0 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 27 100 40 68 4.1-12.5 10790/10833=59...(5) QB ALA 28 - HD3 LYS 26 poor 20 100 20 - 5.0-9.6 HG3 LYS 31 - HD3 LYS 26 far 15 100 15 - 4.1-16.0 HG3 LYS 31 - HD2 LYS 26 far 15 99 15 - 4.8-16.4 QB ALA 28 - HD2 LYS 26 poor 15 100 25 59 4.6-9.5 6304/10771=34, ~10771=30...(9) QB ALA 15 - HD2 LYS 19 poor 14 70 20 - 2.2-10.6 HG2 LYS 24 - HD2 LYS 26 far 10 99 10 - 5.0-12.5 QB ALA 28 - HD3 LYS 31 far 10 99 10 - 5.4-10.1 QB ALA 28 - HD2 LYS 31 far 10 97 10 - 6.0-10.4 QB ALA 29 - HD2 LYS 36 far 10 95 10 - 5.4-11.5 HB2 LEU 96 - HD2 LYS 95 far 9 94 10 - 6.2-9.0 QB ALA 29 - HD3 LYS 26 poor 6 100 25 23 4.6-11.8 10739/10829=12...(5) HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.1-12.5 QB ALA 15 - HD3 LYS 31 far 5 99 5 - 5.0-22.0 HG2 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.8-21.8 QB ALA 15 - HD2 LYS 31 far 5 97 5 - 3.7-21.3 QB ALA 29 - HD2 LYS 31 far 5 97 5 - 5.8-10.1 QB ALA 16 - HD3 LYS 31 far 5 96 5 - 4.1-20.4 HG2 LYS 24 - HD2 LYS 31 far 5 96 5 - 6.2-21.7 HG2 LYS 19 - HD3 LYS 31 far 5 95 5 - 5.6-20.4 QB ALA 12 - HD2 LYS 19 far 5 47 10 - 6.0-16.6 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 19 lone 4 59 80 9 2.4-9.7 7141/6.2=3, 3.7/292=1 HG3 LYS 26 - HD3 LYS 24 far 4 87 5 - 6.0-11.4 QB ALA 28 - HD3 LYS 24 far 4 86 5 - 6.3-14.0 QB ALA 16 - HD2 LYS 19 lone 4 65 65 10 2.3-9.2 7141/6.2=3, 3.7/292=1 QB ALA 28 - HD2 LYS 19 far 3 69 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 3 64 5 - 4.7-17.0 QB ALA 12 - HD3 LYS 19 far 2 43 5 - 5.9-15.4 QB ALA 15 - HD3 LYS 19 lone 0 64 40 2 3.1-10.4 HG2 LYS 19 - HD2 LYS 26 far 0 96 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 97 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 99 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 95 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 86 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 69 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 88 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 99 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 81 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 86 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 97 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 69 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 95 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 69 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 93 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 96 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 63 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 76 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 95 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 64 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 93 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 78 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 87 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 91 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 97 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 91 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 95 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 72 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 90 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 97 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 95 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 63 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 77 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 91 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 81 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 80 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 95 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 87 0 - 10.0-20.6 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 89 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 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 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 HE3 LYS 24 + HD2 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 15 100 15 - 6.4-16.8 HE2 LYS 31 - HD2 LYS 36 far 14 96 15 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 10 99 10 - 6.8-16.1 HE3 LYS 31 - HD2 LYS 26 far 10 99 10 - 6.5-16.6 HE3 LYS 19 - HD2 LYS 31 far 10 97 10 - 7.6-22.4 HE2 LYS 26 - HD2 LYS 36 far 10 96 10 - 5.5-22.6 HE3 LYS 26 - HD2 LYS 36 far 10 95 10 - 5.5-23.0 HE3 LYS 31 - HD2 LYS 36 far 9 94 10 - 5.8-12.0 HE2 LYS 26 - HD3 LYS 24 far 9 87 10 - 5.6-12.9 HE3 LYS 31 - HD3 LYS 24 far 8 85 10 - 5.0-22.9 HE2 LYS 24 - HD3 LYS 26 far 5 99 5 - 4.9-15.0 HE2 LYS 19 - HD3 LYS 31 far 5 99 5 - 6.1-22.2 HE3 LYS 26 - HD3 LYS 31 far 5 99 5 - 6.3-16.7 HE3 LYS 19 - HD3 LYS 31 far 5 99 5 - 6.5-22.1 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 6.1-14.2 HE2 LYS 24 - HD3 LYS 31 far 5 98 5 - 5.9-24.7 HE3 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.1-16.8 HE2 LYS 19 - HD2 LYS 31 far 5 97 5 - 7.5-22.4 HE3 LYS 24 - HD3 LYS 26 far 5 96 5 - 3.7-14.5 HE2 LYS 24 - HD2 LYS 31 far 5 96 5 - 5.5-24.6 HE2 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-14.2 HE2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.5-22.5 HE3 LYS 26 - HD3 LYS 36 far 5 95 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-12.5 HE3 LYS 24 - HD2 LYS 26 far 5 95 5 - 4.8-14.1 HE3 LYS 24 - HD3 LYS 31 far 5 94 5 - 6.1-24.9 HE3 LYS 31 - HD2 LYS 24 far 5 94 5 - 6.2-23.7 HE3 LYS 31 - HD3 LYS 36 far 5 94 5 - 7.1-13.7 HE3 LYS 24 - HD2 LYS 31 far 5 90 5 - 6.2-24.8 HE2 LYS 31 - HD3 LYS 24 far 4 87 5 - 5.5-23.0 HE3 LYS 26 - HD3 LYS 24 far 4 86 5 - 5.1-11.5 HE2 LYS 24 - HD2 LYS 19 far 3 68 5 - 6.9-18.7 HE3 LYS 31 - HD2 LYS 19 far 3 68 5 - 7.3-21.5 HB2 CYS 45 - HD2 LYS 36 far 3 66 5 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 3 66 5 - 7.6-10.7 HE2 LYS 31 - HD3 LYS 26 lone 3 100 20 16 6.2-16.5 10766/10837=9, 9008/10718=2 HE3 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 97 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 95 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 63 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 70 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 64 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 62 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 62 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 64 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 95 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 70 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 78 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 57 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 86 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 84 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 94 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.9-20.9 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 89 assignments used, quality = 1.00: * HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 97 97 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 82 82 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD3 LYS 26 poor 20 100 20 - 6.2-16.5 HE2 LYS 31 - HD2 LYS 26 far 15 100 15 - 6.4-16.8 HE2 LYS 31 - HD2 LYS 36 far 14 95 15 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 10 98 10 - 6.8-16.1 HE3 LYS 31 - HD2 LYS 26 far 10 97 10 - 6.5-16.6 HE3 LYS 26 - HD2 LYS 36 far 10 96 10 - 5.5-23.0 HE3 LYS 19 - HD2 LYS 31 far 10 96 10 - 7.6-22.4 HE2 LYS 26 - HD2 LYS 36 far 10 95 10 - 5.5-22.6 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 5.8-12.0 HE2 LYS 26 - HD3 LYS 24 far 9 86 10 - 5.6-12.9 HE3 LYS 31 - HD3 LYS 24 far 8 82 10 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 31 far 5 99 5 - 6.3-16.7 HE2 LYS 19 - HD3 LYS 31 far 5 98 5 - 6.1-22.2 HE2 LYS 24 - HD3 LYS 26 far 5 98 5 - 4.9-15.0 HE3 LYS 19 - HD3 LYS 31 far 5 98 5 - 6.5-22.1 HE2 LYS 24 - HD2 LYS 26 far 5 97 5 - 6.1-14.2 HE3 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.1-16.8 HE2 LYS 24 - HD3 LYS 31 far 5 97 5 - 5.9-24.7 HE3 LYS 26 - HD3 LYS 36 far 5 95 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-12.5 HE2 LYS 19 - HD2 LYS 31 far 5 96 5 - 7.5-22.4 HE2 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-14.2 HE2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.5-22.5 HE2 LYS 24 - HD2 LYS 31 far 5 94 5 - 5.5-24.6 HE3 LYS 24 - HD3 LYS 26 far 5 92 5 - 3.7-14.5 HE3 LYS 31 - HD2 LYS 24 far 5 92 5 - 6.2-23.7 HE3 LYS 31 - HD3 LYS 36 far 5 92 5 - 7.1-13.7 HE3 LYS 24 - HD2 LYS 26 far 5 91 5 - 4.8-14.1 HE3 LYS 24 - HD3 LYS 31 far 5 90 5 - 6.1-24.9 HE3 LYS 26 - HD3 LYS 24 far 4 87 5 - 5.1-11.5 HE2 LYS 31 - HD3 LYS 24 far 4 86 5 - 5.5-23.0 HE3 LYS 24 - HD2 LYS 31 far 4 86 5 - 6.2-24.8 HE2 LYS 24 - HD2 LYS 19 far 3 66 5 - 6.9-18.7 HE3 LYS 31 - HD2 LYS 19 far 3 66 5 - 7.3-21.5 HB2 CYS 45 - HD2 LYS 36 far 3 58 5 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 3 58 5 - 7.6-10.7 HE3 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 97 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 59 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 69 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 64 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 60 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 60 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 64 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 69 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 83 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 53 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 85 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 90 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 671 from aliabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 21 out of 106 assignments used, quality = 1.00: * HA LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.8-6.5 6.6=100 HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-6.1 6.5=100 HA LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.2-6.0 6.6=100 HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 4.1-6.6 6.4=100 HA LYS 19 + HE3 LYS 19 OK 100 100 100 100 4.2-6.1 6.4=100 HA LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.6-6.0 6.5=100 HA LYS 36 + HE3 LYS 36 OK 90 90 100 100 4.7-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 5.6-6.5 6.0=100 HA THR 25 + HE3 LYS 26 OK 76 77 100 99 3.2-7.5 11150/3.6=68, 582/7.1=51...(13) HA THR 25 + HE2 LYS 26 OK 73 78 95 99 2.8-7.9 11150/3.6=68, 582/7.1=51...(13) HA PHE 87 + HE3 LYS 86 OK 67 71 95 99 4.4-7.9 2724/2646=68...(10) HA ARG 23 + HE2 LYS 24 OK 52 94 65 85 4.5-9.3 424/7.4=65, 833/4.0=13...(15) HA THR 18 + HE3 LYS 19 OK 51 94 55 98 4.8-9.2 ~10696=82, 226/7.3=63...(8) HA THR 25 + HE2 LYS 24 OK 49 74 70 94 6.1-9.0 ~544=46, ~555=41...(11) HA LEU 22 + HE3 LYS 24 OK 47 86 85 64 2.1-8.7 11967/4.0=25...(9) HA ARG 23 + HE3 LYS 24 OK 45 82 65 84 4.1-9.5 424/7.4=65, 833/4.0=13...(15) HA GLN 27 + HE3 LYS 26 OK 41 80 65 79 5.4-8.7 ~6267=33, ~6266=33...(11) HA LEU 22 + HE2 LYS 24 OK 38 98 70 55 3.1-8.8 11967/4.0=25, 282/4.0=11...(8) HA THR 18 + HE2 LYS 19 OK 37 94 40 98 6.1-8.5 ~10696=82, 226/7.3=63...(8) HA THR 25 + HE3 LYS 24 OK 35 62 60 94 4.8-9.1 ~544=46, ~555=41...(9) HA GLN 27 + HE2 LYS 26 OK 25 81 40 79 6.3-9.1 ~6267=33, ~6266=33...(11) HA ARG 23 - HE2 LYS 26 poor 19 97 20 - 3.6-11.8 HA GLN 27 - HE3 LYS 31 poor 19 76 25 - 5.5-14.7 HA ALA 21 - HE2 LYS 24 poor 18 61 30 - 6.3-12.4 HA ALA 28 - HE3 LYS 26 poor 18 72 25 - 4.8-10.2 HA LYS 26 - HE2 LYS 31 far 15 100 15 - 6.5-14.4 HA LYS 31 - HE2 LYS 26 far 15 100 15 - 6.2-16.8 HA LYS 19 - HE3 LYS 31 far 15 98 15 - 3.8-22.2 HA ARG 23 - HE3 LYS 26 far 14 97 15 - 3.1-11.4 HA LYS 19 - HE3 LYS 24 far 13 86 15 - 4.4-14.4 HA ARG 84 - HE3 LYS 86 poor 12 48 25 - 6.5-8.3 HA ALA 28 - HE2 LYS 26 poor 11 73 30 48 4.7-11.0 ~10771=35, 10776/9008=5...(7) HA ALA 21 - HE3 LYS 24 poor 10 50 20 - 4.9-11.8 HA LEU 22 - HE2 LYS 31 far 10 100 10 - 4.9-22.6 HA LYS 19 - HE2 LYS 31 far 10 100 10 - 4.9-21.3 HA LEU 22 - HE2 LYS 26 far 10 100 10 - 7.2-15.6 HA LYS 31 - HE3 LYS 26 far 10 100 10 - 4.7-17.0 HA LYS 19 - HE2 LYS 24 far 10 98 10 - 3.8-14.9 HA LEU 22 - HE3 LYS 31 far 10 98 10 - 6.3-24.0 HA ARG 23 - HE2 LYS 31 far 10 97 10 - 4.9-18.7 HA ARG 23 - HE3 LYS 31 far 9 94 10 - 5.5-19.0 HA LYS 26 - HE3 LYS 24 far 9 87 10 - 7.1-11.8 HA THR 25 - HE2 LYS 31 far 8 78 10 - 5.1-18.0 HA SER 74 - HE3 LYS 86 far 8 52 15 - 7.4-12.0 HA THR 18 - HE3 LYS 24 far 8 78 10 - 7.2-14.7 HA THR 25 - HE3 LYS 31 far 7 74 10 - 4.9-17.1 HA ALA 28 - HE2 LYS 31 far 7 73 10 - 6.2-13.8 HA ALA 16 - HE2 LYS 19 lone 6 98 55 10 3.7-12.6 7131/7.3=3 HA ALA 16 - HE3 LYS 19 lone 5 98 50 10 4.0-12.0 7131/7.3=3 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 6.1-21.9 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 6.8-21.9 HA LEU 22 - HE3 LYS 26 far 5 100 5 - 7.3-13.9 HA LYS 26 - HE3 LYS 31 far 5 98 5 - 7.5-13.4 HA ALA 15 - HE2 LYS 31 far 5 97 5 - 6.8-24.8 HA ARG 23 - HE3 LYS 19 far 5 97 5 - 7.3-13.1 HA GLN 61 - HE3 LYS 26 far 5 96 5 - 7.5-41.0 HA ALA 16 - HE3 LYS 31 far 5 96 5 - 7.5-25.7 HA ALA 15 - HE3 LYS 31 far 5 93 5 - 6.9-26.0 HA THR 18 - HE2 LYS 24 far 5 91 5 - 5.8-15.2 HA ALA 12 - HE2 LYS 19 far 4 88 5 - 5.8-19.1 HA ALA 12 - HE3 LYS 19 far 4 88 5 - 6.0-19.5 HA SER 74 - HE2 LYS 19 far 4 82 5 - 5.0-34.2 HA SER 74 - HE3 LYS 19 far 4 82 5 - 6.5-33.5 HA GLN 27 - HE2 LYS 19 far 4 80 5 - 5.9-19.7 HA GLN 27 - HE3 LYS 19 far 4 80 5 - 6.3-18.5 HA ALA 28 - HE2 LYS 19 far 4 72 5 - 5.0-20.5 HA ALA 28 - HE3 LYS 19 far 4 72 5 - 6.3-20.7 HA ALA 28 - HE3 LYS 31 far 3 69 5 - 7.6-13.7 HA ALA 28 - HE2 LYS 24 far 3 69 5 - 7.7-15.7 HA ALA 21 - HE2 LYS 26 far 3 65 5 - 7.7-18.0 HA ALA 21 - HE3 LYS 19 far 3 64 5 - 7.6-11.0 HA ALA 15 - HE3 LYS 19 lone 1 96 35 3 5.6-14.5 HA ALA 15 - HE2 LYS 19 lone 1 96 30 3 4.2-14.7 HA GLN 27 - HE2 LYS 31 lone 1 81 30 3 4.4-14.3 HA ALA 28 - HE3 LYS 24 far 0 57 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 91 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 86 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 64 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 97 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 89 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 97 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 64 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 95 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 64 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 65 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 87 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 90 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 98 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 61 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 78 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 90 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 66 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 89 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 80 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 95 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 84 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 93 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 76 0 - 10.0-14.5 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 48 assignments used, quality = 1.00: * HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.8-5.4 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.1-5.4 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 66 66 100 100 1.9-5.1 ~11877=94, ~11243=94...(20) HG3 ARG 90 + HE3 LYS 86 OK 54 68 80 100 2.9-9.3 9651/9655=95...(5) HB2 LYS 31 - HE3 LYS 26 poor 20 100 20 - 3.2-14.2 HB2 ARG 23 - HE2 LYS 24 poor 19 96 20 - 4.3-10.8 HB2 LYS 26 - HE2 LYS 31 far 15 100 15 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 15 100 15 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 15 98 15 - 6.8-14.2 HB2 ARG 23 - HE3 LYS 24 poor 14 84 30 54 4.4-10.1 834/4.0=8, 6203/876=8...(26) HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 5.0-20.1 HB2 ARG 23 - HE2 LYS 26 far 10 99 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 10 99 10 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 26 far 10 98 10 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 19 far 10 98 10 - 5.8-12.3 HB2 LYS 24 - HE3 LYS 31 far 10 98 10 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 10 98 10 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.6-20.3 HB2 LYS 19 - HE3 LYS 24 far 9 87 10 - 6.2-16.4 HB2 LYS 24 - HE3 LYS 26 poor 7 100 25 30 3.2-10.9 11128/9587=24 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.6-19.1 HB2 LYS 31 - HE2 LYS 36 far 5 100 5 - 7.6-13.8 HB2 ARG 23 - HE2 LYS 19 far 5 98 5 - 7.5-12.4 HB2 LYS 24 - HE2 LYS 26 lone 5 100 30 16 3.9-12.6 11128/9587=11 HB2 LYS 26 - HE2 LYS 24 far 5 98 5 - 7.5-13.7 HB2 LYS 26 - HE3 LYS 24 far 4 87 5 - 6.0-13.1 HB2 LYS 31 - HE2 LYS 26 lone 3 100 35 9 4.5-15.1 6331/6337=2 HB2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 87 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 98 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 99 0 - 9.7-25.4 Violated in 0 structures by 0.00 A. Peak 673 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.94 A): 15 out of 71 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 50 50 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 42 98 45 96 5.1-9.8 10825=32, 10825/1.8=26...(41) HB ILE 32 + HE2 LYS 26 OK 35 100 35 100 4.9-16.7 10833/3.0=90, ~10767=56...(30) HB ILE 32 + HE2 LYS 31 OK 33 100 35 96 5.0-10.0 10825/1.8=35, 10825=29...(35) HB ILE 32 + HE3 LYS 26 OK 25 99 25 100 4.6-16.1 10833/3.0=90, ~10767=56...(30) HB3 ARG 23 - HE3 LYS 24 poor 17 86 20 - 4.8-9.8 HB3 LYS 24 - HE2 LYS 26 far 15 100 15 - 2.3-11.2 HB3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.9-13.4 HB ILE 32 - HE2 LYS 36 far 15 100 15 - 4.4-10.1 HB3 LYS 19 - HE2 LYS 31 far 15 99 15 - 6.1-19.6 HB3 ARG 23 - HE2 LYS 24 far 15 98 15 - 4.3-10.0 HB3 LYS 19 - HE3 LYS 31 far 14 96 15 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 31 far 10 100 10 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 26 far 10 100 10 - 4.7-12.6 HB3 ARG 23 - HE3 LYS 31 far 10 98 10 - 5.9-19.8 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 6.2-21.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.8-15.1 HB ILE 32 - HE3 LYS 36 far 5 100 5 - 6.1-10.4 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB2 LYS 36 - HE3 LYS 26 far 5 100 5 - 6.2-21.3 HB3 ARG 23 - HE3 LYS 19 far 5 100 5 - 5.9-13.1 HB3 LYS 19 - HE2 LYS 26 far 5 99 5 - 6.7-19.5 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.8-13.2 HB2 LYS 36 - HE3 LYS 31 far 5 98 5 - 6.7-12.2 HB3 LYS 19 - HE2 LYS 24 far 5 96 5 - 6.3-15.6 HB3 LYS 19 - HE3 LYS 24 far 4 83 5 - 5.9-15.4 HB3 LYS 26 - HE3 LYS 24 far 0 87 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 60 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 69 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 86 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 99 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 100 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 63 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 100 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 99 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 100 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 86 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 92 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 71 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 92 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 91 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 674 from aliabs.peaks (1.43, 2.96, 41.80 ppm; 4.44 A): 13 out of 62 assignments used, quality = 1.00: * HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-4.2 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 2.2-4.2 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 2.1-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 71 71 100 100 2.0-4.2 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 63 63 100 100 2.5-3.9 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 57 57 100 100 2.4-3.1 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 26 100 30 86 2.7-10.2 10757/6.5=23...(29) HG13 ILE 32 + HE3 LYS 31 OK 25 98 30 86 3.5-9.5 10757/6.5=23...(19) HG13 ILE 32 - HE2 LYS 26 far 15 100 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 15 100 15 - 3.9-14.0 QB ALA 34 - HE3 LYS 19 far 4 89 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 89 5 - 4.0-22.5 HG3 LYS 24 - HE2 LYS 26 far 4 89 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 4 88 5 - 4.4-11.8 QB ALA 34 - HE2 LYS 24 far 4 86 5 - 4.5-27.4 QB ALA 34 - HE2 LYS 26 lone 4 90 30 16 3.0-18.9 908/10757=13, 6364/876=1 HG2 LYS 31 - HE3 LYS 26 far 3 67 5 - 4.3-16.8 QB ALA 34 - HE3 LYS 26 lone 2 89 25 10 2.6-18.8 908/10757=8 QB ALA 34 - HE2 LYS 31 far 0 90 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 89 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 62 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 87 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 100 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 73 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 90 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 86 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 84 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 68 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 63 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 90 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 99 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 96 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 64 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 67 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 99 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 59 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 63 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 100 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 100 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 53 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 68 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 87 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 68 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 67 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 96 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 84 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 88 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 71 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.8-20.6 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 79 assignments used, quality = 1.00: * HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.7-4.1 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.0-4.2 4.0=100 QB ALA 16 - HE2 LYS 19 poor 19 97 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 14 97 15 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 8 77 10 - 4.0-16.7 QB ALA 28 - HE2 LYS 19 far 5 100 5 - 2.2-17.8 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 29 - HE2 LYS 26 far 5 100 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 3.2-17.3 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.8-12.5 HG2 LYS 24 - HE3 LYS 26 far 5 99 5 - 4.7-11.5 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 4.9-20.9 HG2 LYS 24 - HE3 LYS 31 far 5 97 5 - 4.3-21.5 QB ALA 16 - HE3 LYS 31 far 5 94 5 - 4.7-22.0 HG3 LYS 26 - HE3 LYS 24 far 4 87 5 - 4.3-13.1 QB ALA 12 - HE3 LYS 19 far 4 77 5 - 3.8-17.0 HG3 LYS 31 - HE3 LYS 26 far 0 99 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 98 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 100 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 99 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 98 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 86 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 93 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 74 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 94 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 86 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 86 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 80 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 98 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 87 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 82 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 96 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 78 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 78 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 77 0 - 9.8-29.7 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 94 assignments used, quality = 1.00: * HD2 LYS 26 + HE2 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 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 86 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 87 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 97 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 87 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 86 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 95 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 48 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 54 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 83 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 93 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 93 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 80 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-20.9 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 94 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.3-3.0 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 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 87 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 86 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 95 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 86 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 84 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 43 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 71 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 89 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 85 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 76 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.9-20.9 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): 21 out of 106 assignments used, quality = 1.00: * HA LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.2-6.0 6.6=100 HA LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.8-6.5 6.6=100 HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-6.1 6.5=100 HA LYS 19 + HE2 LYS 19 OK 98 98 100 100 4.1-6.6 6.4=100 HA LYS 19 + HE3 LYS 19 OK 98 98 100 100 4.2-6.1 6.4=100 HA LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.6-6.0 6.5=100 HA LYS 36 + HE3 LYS 36 OK 90 90 100 100 4.7-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 5.6-6.5 6.0=100 HA THR 25 + HE3 LYS 26 OK 77 78 100 99 3.2-7.5 11150/3.6=68, 582/7.1=51...(13) HA THR 25 + HE2 LYS 26 OK 72 77 95 99 2.8-7.9 11150/3.6=68, 582/7.1=51...(13) HA PHE 87 + HE3 LYS 86 OK 63 67 95 99 4.4-7.9 2724/2646=67...(10) HA ARG 23 + HE2 LYS 24 OK 49 89 65 85 4.5-9.3 424/7.4=65, 833/4.0=13...(15) HA THR 18 + HE3 LYS 19 OK 49 91 55 98 4.8-9.2 ~10696=82, 226/7.3=63...(8) HA THR 25 + HE2 LYS 24 OK 45 69 70 94 6.1-9.0 ~544=46, ~555=41...(11) HA LEU 22 + HE3 LYS 24 OK 41 77 85 63 2.1-8.7 11967/4.0=25...(9) HA GLN 27 + HE3 LYS 26 OK 41 81 65 79 5.4-8.7 ~6267=33, ~6266=33...(11) HA ARG 23 + HE3 LYS 24 OK 39 72 65 84 4.1-9.5 424/7.4=65, 833/4.0=13...(15) HA LEU 22 + HE2 LYS 24 OK 36 94 70 56 3.1-8.8 11967/4.0=25, 282/4.0=11...(8) HA THR 18 + HE2 LYS 19 OK 36 91 40 98 6.1-8.5 ~10696=82, 226/7.3=63...(8) HA THR 25 + HE3 LYS 24 OK 30 53 60 94 4.8-9.1 ~544=46, ~555=41...(9) HA GLN 27 + HE2 LYS 26 OK 25 80 40 79 6.3-9.1 ~6267=33, ~6266=33...(11) HA ARG 23 - HE2 LYS 26 poor 19 97 20 - 3.6-11.8 HA ALA 28 - HE3 LYS 26 poor 18 73 25 - 4.8-10.2 HA GLN 27 - HE3 LYS 31 poor 18 71 25 - 5.5-14.7 HA ALA 21 - HE2 LYS 24 poor 17 57 30 - 6.3-12.4 HA LYS 26 - HE2 LYS 31 far 15 100 15 - 6.5-14.4 HA LYS 31 - HE2 LYS 26 far 15 100 15 - 6.2-16.8 HA ARG 23 - HE3 LYS 26 far 15 97 15 - 3.1-11.4 HA LYS 19 - HE3 LYS 31 far 14 94 15 - 3.8-22.2 HA LYS 19 - HE3 LYS 24 far 11 77 15 - 4.4-14.4 HA ARG 84 - HE3 LYS 86 poor 11 45 25 - 6.5-8.3 HA ALA 28 - HE2 LYS 26 poor 10 72 30 48 4.7-11.0 ~10771=35, 10776/9008=5...(7) HA LYS 31 - HE3 LYS 26 far 10 100 10 - 4.7-17.0 HA LEU 22 - HE2 LYS 31 far 10 100 10 - 4.9-22.6 HA LYS 19 - HE2 LYS 31 far 10 100 10 - 4.9-21.3 HA LEU 22 - HE2 LYS 26 far 10 100 10 - 7.2-15.6 HA ARG 23 - HE2 LYS 31 far 10 97 10 - 4.9-18.7 HA LYS 19 - HE2 LYS 24 far 9 94 10 - 3.8-14.9 HA LEU 22 - HE3 LYS 31 far 9 94 10 - 6.3-24.0 HA ARG 23 - HE3 LYS 31 far 9 89 10 - 5.5-19.0 HA ALA 21 - HE3 LYS 24 poor 9 43 20 - 4.9-11.8 HA THR 25 - HE2 LYS 31 far 8 77 10 - 5.1-18.0 HA LYS 26 - HE3 LYS 24 far 8 77 10 - 7.1-11.8 HA SER 74 - HE3 LYS 86 far 7 49 15 - 7.4-12.0 HA ALA 28 - HE2 LYS 31 far 7 72 10 - 6.2-13.8 HA THR 25 - HE3 LYS 31 far 7 69 10 - 4.9-17.1 HA THR 18 - HE3 LYS 24 far 7 68 10 - 7.2-14.7 HA ALA 16 - HE2 LYS 19 lone 6 96 55 10 3.7-12.6 7131/7.3=3 HA LEU 22 - HE3 LYS 26 far 5 100 5 - 7.3-13.9 HA ALA 16 - HE3 LYS 19 lone 5 96 50 10 4.0-12.0 7131/7.3=3 HA LYS 31 - HE3 LYS 19 far 5 98 5 - 6.1-21.9 HA LYS 31 - HE2 LYS 19 far 5 98 5 - 6.8-21.9 HA GLN 61 - HE3 LYS 26 far 5 97 5 - 7.5-41.0 HA ALA 15 - HE2 LYS 31 far 5 96 5 - 6.8-24.8 HA ARG 23 - HE3 LYS 19 far 5 94 5 - 7.3-13.1 HA LYS 26 - HE3 LYS 31 far 5 94 5 - 7.5-13.4 HA ALA 16 - HE3 LYS 31 far 5 91 5 - 7.5-25.7 HA ALA 15 - HE3 LYS 31 far 4 88 5 - 6.9-26.0 HA THR 18 - HE2 LYS 24 far 4 85 5 - 5.8-15.2 HA ALA 12 - HE2 LYS 19 far 4 84 5 - 5.8-19.1 HA ALA 12 - HE3 LYS 19 far 4 84 5 - 6.0-19.5 HA SER 74 - HE2 LYS 19 far 4 78 5 - 5.0-34.2 HA SER 74 - HE3 LYS 19 far 4 78 5 - 6.5-33.5 HA GLN 27 - HE2 LYS 19 far 4 76 5 - 5.9-19.7 HA GLN 27 - HE3 LYS 19 far 4 76 5 - 6.3-18.5 HA ALA 28 - HE2 LYS 19 far 3 69 5 - 5.0-20.5 HA ALA 28 - HE3 LYS 19 far 3 69 5 - 6.3-20.7 HA ALA 21 - HE2 LYS 26 far 3 64 5 - 7.7-18.0 HA ALA 28 - HE3 LYS 31 far 3 64 5 - 7.6-13.7 HA ALA 28 - HE2 LYS 24 far 3 64 5 - 7.7-15.7 HA ALA 21 - HE3 LYS 19 far 3 61 5 - 7.6-11.0 HA ALA 15 - HE3 LYS 19 lone 1 93 35 3 5.6-14.5 HA ALA 15 - HE2 LYS 19 lone 1 93 30 3 4.2-14.7 HA GLN 27 - HE2 LYS 31 lone 1 80 30 3 4.4-14.3 HA ALA 28 - HE3 LYS 24 far 0 49 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 85 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 81 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 55 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 98 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 94 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 90 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 96 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 65 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 94 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 94 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 61 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 64 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 77 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 98 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 89 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 94 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 57 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 73 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 89 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 57 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 88 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 71 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 94 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 79 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 88 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 71 0 - 10.0-14.5 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 48 assignments used, quality = 1.00: * HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.8-5.4 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 94 94 100 100 3.1-5.4 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 62 62 100 100 1.9-5.1 ~11877=94, ~11243=94...(20) HG3 ARG 90 + HE3 LYS 86 OK 51 64 80 99 2.9-9.3 9651/9655=92...(5) HB2 LYS 31 - HE3 LYS 26 poor 20 100 20 - 3.2-14.2 HB2 ARG 23 - HE2 LYS 24 poor 18 92 20 - 4.3-10.8 HB2 LYS 26 - HE2 LYS 31 far 15 100 15 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 15 100 15 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 14 94 15 - 6.8-14.2 HB2 ARG 23 - HE3 LYS 24 poor 12 74 30 53 4.4-10.1 834/4.0=8, 6203/876=7...(26) HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 5.0-20.1 HB2 ARG 23 - HE3 LYS 26 far 10 99 10 - 5.4-12.0 HB2 ARG 23 - HE2 LYS 26 far 10 98 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 10 98 10 - 5.5-19.9 HB2 ARG 23 - HE3 LYS 19 far 10 96 10 - 5.8-12.3 HB2 LYS 24 - HE3 LYS 31 far 9 94 10 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 9 94 10 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 9 94 10 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 31 far 9 92 10 - 5.6-20.3 HB2 LYS 19 - HE3 LYS 24 far 8 77 10 - 6.2-16.4 HB2 LYS 24 - HE3 LYS 26 poor 7 100 25 30 3.2-10.9 11128/9587=24 HB2 LYS 31 - HE2 LYS 36 far 5 100 5 - 7.6-13.8 HB2 LYS 31 - HE3 LYS 19 far 5 98 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.6-19.1 HB2 LYS 24 - HE2 LYS 26 lone 5 100 30 16 3.9-12.6 11128/9587=11 HB2 ARG 23 - HE2 LYS 19 far 5 96 5 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 5 94 5 - 7.5-13.7 HB2 LYS 26 - HE3 LYS 24 far 4 77 5 - 6.0-13.1 HB2 LYS 31 - HE2 LYS 26 lone 3 100 35 9 4.5-15.1 6331/6337=2 HB2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 98 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 88 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 77 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 98 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 98 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 96 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 99 0 - 9.7-25.4 Violated in 0 structures by 0.00 A. Peak 684 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.86 A): 15 out of 71 assignments used, quality = 1.00: * HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-4.7 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.2-5.5 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 47 47 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 36 93 40 96 5.1-9.8 10825=29, 10825/1.8=26...(41) HB ILE 32 + HE2 LYS 31 OK 33 99 35 95 5.0-10.0 10825/1.8=34, 10825=28...(35) HB ILE 32 + HE2 LYS 26 OK 30 99 30 100 4.9-16.7 10833/3.0=89, ~10767=55...(30) HB ILE 32 + HE3 LYS 26 OK 25 100 25 100 4.6-16.1 10833/3.0=89, ~10767=55...(30) HB3 ARG 23 - HE3 LYS 24 poor 15 77 20 - 4.8-9.8 HB3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.9-13.4 HB3 LYS 19 - HE2 LYS 31 far 15 98 15 - 6.1-19.6 HB3 ARG 23 - HE2 LYS 24 far 14 94 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 LYS 24 - HE2 LYS 26 far 10 100 10 - 2.3-11.2 HB3 ARG 23 - HE3 LYS 26 far 10 100 10 - 4.7-12.6 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 3.1-12.7 HB ILE 32 - HE2 LYS 36 far 10 100 10 - 4.4-10.1 HB3 ARG 23 - HE2 LYS 31 far 10 100 10 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 31 far 9 94 10 - 5.9-19.8 HB3 LYS 19 - HE3 LYS 31 far 9 91 10 - 4.9-20.5 HB3 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.8-15.1 HB2 LYS 36 - HE3 LYS 26 far 5 100 5 - 6.2-21.3 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB ILE 32 - HE3 LYS 36 far 5 100 5 - 6.1-10.4 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 6.2-21.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 26 far 5 98 5 - 6.7-19.5 HB3 ARG 23 - HE3 LYS 19 far 5 98 5 - 5.9-13.1 HB3 LYS 24 - HE3 LYS 31 far 5 94 5 - 5.6-21.1 HB2 LYS 36 - HE3 LYS 31 far 5 94 5 - 6.7-12.2 HB3 LYS 19 - HE2 LYS 24 far 5 91 5 - 6.3-15.6 HB3 LYS 19 - HE3 LYS 24 far 4 74 5 - 5.9-15.4 HB3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 77 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 56 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 98 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 65 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 77 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 98 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 98 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 93 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 59 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 100 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 94 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 98 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 100 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 98 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 98 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 76 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 98 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 91 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 91 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 98 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 88 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 685 from aliabs.peaks (1.43, 2.96, 41.80 ppm; 4.41 A): 13 out of 62 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 2.3-4.2 3.6=100 HG3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-4.2 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 2.1-4.0 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 62 62 100 100 2.5-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 62 62 100 100 2.0-4.2 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 2.4-3.1 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 26 100 30 86 2.7-10.2 10757/6.5=23...(27) HG13 ILE 32 + HE3 LYS 31 OK 24 94 30 85 3.5-9.5 10757/6.5=23...(19) HG13 ILE 32 - HE3 LYS 26 far 15 100 15 - 3.9-14.0 HG13 ILE 32 - HE2 LYS 26 far 15 100 15 - 3.8-14.7 HG3 LYS 24 - HE3 LYS 26 far 4 89 5 - 4.4-11.8 HG3 LYS 24 - HE2 LYS 26 far 4 88 5 - 4.0-12.7 QB ALA 34 - HE3 LYS 19 far 4 86 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 86 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 26 lone 4 89 30 15 3.0-18.9 908/10757=13, 6364/876=1 QB ALA 34 - HE2 LYS 24 far 4 81 5 - 4.5-27.4 HG2 LYS 31 - HE3 LYS 26 far 3 68 5 - 4.3-16.8 QB ALA 34 - HE3 LYS 26 lone 2 90 25 10 2.6-18.8 908/10757=8 QB ALA 34 - HE2 LYS 31 far 0 89 0 - 5.5-13.1 HG3 LYS 24 - HE2 LYS 31 far 0 88 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 63 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 77 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 100 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 64 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 90 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 81 0 - 5.8-13.4 HG3 LYS 24 - HE3 LYS 31 far 0 79 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 67 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 62 0 - 6.2-22.9 QB ALA 34 - HE3 LYS 36 far 0 90 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 98 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 92 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 59 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 64 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 54 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 62 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 100 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 94 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 45 0 - 7.4-23.3 HG2 LYS 31 - HE3 LYS 36 far 0 68 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 77 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 94 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 68 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 64 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 92 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 99 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 74 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 84 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 67 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 98 0 - 9.8-20.6 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 79 assignments used, quality = 1.00: * HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.1-3.9 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.7-4.1 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 93 93 100 100 2.1-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 76 76 100 100 2.0-4.2 4.0=100 QB ALA 16 - HE2 LYS 19 poor 19 94 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 15 98 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 98 15 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 14 94 15 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 7 74 10 - 4.0-16.7 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.7-11.5 QB ALA 29 - HE2 LYS 26 far 5 100 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 HG2 LYS 24 - HE2 LYS 31 far 5 99 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 99 5 - 4.8-12.5 QB ALA 28 - HE2 LYS 19 far 5 98 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 98 5 - 3.2-17.3 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 4.9-20.9 HG2 LYS 24 - HE3 LYS 31 far 5 93 5 - 4.3-21.5 QB ALA 16 - HE3 LYS 31 far 4 89 5 - 4.7-22.0 HG3 LYS 26 - HE3 LYS 24 far 4 77 5 - 4.3-13.1 QB ALA 12 - HE3 LYS 19 far 4 74 5 - 3.8-17.0 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 94 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 100 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 94 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 94 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 98 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 98 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 94 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 98 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 93 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 94 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 96 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 98 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 77 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 94 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 88 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 69 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 89 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 77 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 76 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 71 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 94 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 98 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 77 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 72 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 77 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 77 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 78 0 - 9.8-29.7 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 94 assignments used, quality = 1.00: * HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 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 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 75 75 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 77 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 77 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 92 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 93 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 94 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 77 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 76 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 98 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 90 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 45 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 66 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 50 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 73 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 98 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 98 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 71 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 94 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: * HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 73 73 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 63 63 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 77 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 77 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 90 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 92 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 97 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 94 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 93 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 76 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 74 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 98 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 87 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 40 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 67 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 87 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 95 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 45 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 70 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 92 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 84 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 84 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 98 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 92 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 98 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 95 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 67 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 84 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 95 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 94 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-20.9 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 2.3-3.0 3.0=100 HB2 GLU 30 - HA GLN 27 far 0 68 0 - 4.2-9.0 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 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 696 from aliabs.peaks (2.34, 4.25, 55.75 ppm; 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 27 + HA GLN 27 OK 99 100 100 99 2.3-3.9 3.7=81, 4.9/700=33...(14) HG3 GLN 27 + HA GLN 27 OK 99 100 100 99 2.7-4.2 3.7=81, 4.9/700=33...(14) Violated in 0 structures by 0.00 A. Peak 697 from aliabs.peaks (2.34, 4.25, 55.75 ppm; 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 99 100 100 99 2.7-4.2 3.7=81, 4.9/700=33...(14) HG2 GLN 27 + HA GLN 27 OK 99 100 100 99 2.3-3.9 3.7=81, 4.9/700=33...(14) 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 2.3-3.0 3.0=100 HA ALA 28 - HB2 GLN 27 far 10 100 10 - 3.9-5.9 HA ALA 29 - HB2 GLN 27 far 4 83 5 - 4.0-8.8 HA LYS 26 - HB2 GLN 27 far 0 81 0 - 4.5-6.2 HA LYS 31 - HB2 GLN 27 far 0 76 0 - 5.1-11.8 HA LYS 19 - HB2 GLN 27 far 0 73 0 - 6.5-18.6 HA LEU 22 - HB2 GLN 27 far 0 87 0 - 7.6-15.4 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): 2 out of 7 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 28 + HB3 GLN 27 OK 39 100 40 99 4.1-5.9 3.0/6298=62...(24) HA ALA 29 - HB3 GLN 27 far 8 83 10 - 4.0-8.1 HA LYS 26 - HB3 GLN 27 far 0 81 0 - 4.6-6.6 HA LYS 19 - HB3 GLN 27 far 0 73 0 - 5.7-19.3 HA LYS 31 - HB3 GLN 27 far 0 76 0 - 5.8-11.9 HA LEU 22 - HB3 GLN 27 far 0 87 0 - 8.6-16.8 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 3 68 5 - 3.2-8.6 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; 3.59 A): 4 out of 15 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.3-3.9 3.7=91, 697/1.8=38...(14) HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.7-4.2 3.7=91, 696/1.8=38...(14) HA ALA 28 + HG2 GLN 27 OK 34 100 35 96 3.8-6.5 ~10762=24, ~10723=23...(21) HA ALA 28 + HG3 GLN 27 OK 29 100 30 96 3.9-6.6 ~10762=24, ~10723=23...(21) HA SER 124 - HG2 GLN 127 poor 19 96 20 - 3.6-6.0 HA ALA 29 - HG2 GLN 27 poor 13 83 25 61 3.1-8.7 10738/10764=24...(12) HA LYS 26 - HG2 GLN 27 far 12 81 15 - 4.1-7.1 HA ALA 29 - HG3 GLN 27 poor 11 82 25 53 3.0-9.7 ~10788=17, 737/4.9=10...(13) HA LYS 31 - HG3 GLN 27 far 4 75 5 - 4.5-13.3 HA LYS 26 - HG3 GLN 27 far 0 80 0 - 4.6-6.8 HA LYS 31 - HG2 GLN 27 far 0 76 0 - 4.8-13.4 HA LYS 19 - HG2 GLN 27 far 0 73 0 - 6.5-20.9 HA LYS 19 - HG3 GLN 27 far 0 73 0 - 7.8-19.8 HA LEU 22 - HG2 GLN 27 far 0 87 0 - 8.2-16.7 HA LEU 22 - HG3 GLN 27 far 0 86 0 - 8.8-17.9 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 6 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 - HG2 GLN 27 poor 14 68 20 - 3.5-10.5 HB2 GLU 30 - HG3 GLN 27 lone 4 68 40 16 2.0-10.2 709/4.9=6, 10791/10724=6...(5) HG LEU 53 - HG2 GLN 127 far 0 55 0 - 5.5-9.2 HB3 LEU 53 - HG2 GLN 127 far 0 55 0 - 5.6-8.1 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 5 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 2.4-3.0 3.0=100 HB2 GLU 128 - HG2 GLN 127 far 0 83 0 - 6.7-8.0 HG3 GLN 134 - HG2 GLN 127 far 0 89 0 - 9.4-13.5 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; 3.59 A): 4 out of 15 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.7-4.2 3.7=91, 696/1.8=38...(14) HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.3-3.9 3.7=91, 697/1.8=38...(14) HA ALA 28 + HG2 GLN 27 OK 33 100 35 96 3.8-6.5 ~10762=24, ~10723=23...(21) HA ALA 28 + HG3 GLN 27 OK 29 100 30 96 3.9-6.6 ~10762=24, ~10723=23...(21) HA SER 124 - HG2 GLN 127 poor 19 95 20 - 3.6-6.0 HA ALA 29 - HG2 GLN 27 poor 12 82 25 61 3.1-8.7 10738/10764=25...(12) HA LYS 26 - HG2 GLN 27 far 12 80 15 - 4.1-7.1 HA ALA 29 - HG3 GLN 27 poor 11 83 25 53 3.0-9.7 ~10788=17, 737/4.9=10...(13) HA LYS 31 - HG3 GLN 27 far 4 76 5 - 4.5-13.3 HA LYS 26 - HG3 GLN 27 far 0 81 0 - 4.6-6.8 HA LYS 31 - HG2 GLN 27 far 0 75 0 - 4.8-13.4 HA LYS 19 - HG2 GLN 27 far 0 73 0 - 6.5-20.9 HA LYS 19 - HG3 GLN 27 far 0 73 0 - 7.8-19.8 HA LEU 22 - HG2 GLN 27 far 0 86 0 - 8.2-16.7 HA LEU 22 - HG3 GLN 27 far 0 87 0 - 8.8-17.9 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 6 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 - HG2 GLN 27 poor 14 68 20 - 3.5-10.5 HB2 GLU 30 - HG3 GLN 27 lone 4 68 40 16 2.0-10.2 709/4.9=6, 10791/10724=6...(5) HG LEU 53 - HG2 GLN 127 far 0 54 0 - 5.5-9.2 HB3 LEU 53 - HG2 GLN 127 far 0 54 0 - 5.6-8.1 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 5 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 2.4-3.0 3.0=100 HB2 GLU 128 - HG2 GLN 127 far 0 82 0 - 6.7-8.0 HG3 GLN 134 - HG2 GLN 127 far 0 88 0 - 9.4-13.5 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 15 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 - 3.7-4.4 HG3 LYS 31 - HA ALA 29 far 0 69 0 - 3.9-9.1 QB ALA 28 - HA ALA 29 far 0 69 0 - 4.0-5.1 HG3 LYS 26 - HA ALA 28 far 0 100 0 - 4.2-8.9 HG3 LYS 26 - HA ALA 29 far 0 69 0 - 4.2-12.7 HG2 LYS 24 - HA ALA 28 far 0 99 0 - 7.0-14.6 HG2 LYS 19 - HA ALA 29 far 0 59 0 - 7.1-19.9 QB ALA 16 - HA ALA 29 far 0 67 0 - 7.4-21.9 HG2 LYS 19 - HA ALA 28 far 0 93 0 - 7.7-18.4 HG3 LYS 31 - HA ALA 28 far 0 100 0 - 8.0-12.0 QB ALA 16 - HA ALA 28 far 0 99 0 - 8.5-21.4 HG2 LYS 36 - HA ALA 29 far 0 68 0 - 8.5-13.6 QB ALA 15 - HA ALA 29 far 0 69 0 - 8.8-24.0 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 37 assignments used, quality = 1.00: * HA ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 29 + QB ALA 29 OK 84 84 100 100 2.1-2.1 2.1=100 HA ALA 28 - QB ALA 29 far 0 98 0 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 100 0 - 3.8-4.9 HA GLU 30 - QB ALA 29 far 0 56 0 - 3.8-4.3 HA ALA 29 - QB ALA 28 far 0 89 0 - 4.0-5.1 HB THR 115 - QB ALA 109 far 0 61 0 - 4.1-12.5 HA GLU 30 - QB ALA 28 far 0 60 0 - 4.2-5.2 HA LYS 19 - QB ALA 28 far 0 65 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 73 0 - 4.5-7.6 HA LYS 19 - QB ALA 15 far 0 64 0 - 4.7-11.8 HA SER 99 - QB ALA 108 far 0 75 0 - 4.8-12.7 HA LYS 26 - QB ALA 29 far 0 69 0 - 5.2-10.0 HA GLN 27 - QB ALA 29 far 0 97 0 - 5.3-8.0 HA LYS 19 - QB ALA 16 far 0 59 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 61 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 68 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 81 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 64 0 - 5.8-7.6 HB THR 115 - QB ALA 108 far 0 56 0 - 6.4-12.1 HA LEU 22 - QB ALA 16 far 0 73 0 - 7.1-12.8 HA LYS 19 - QB ALA 29 far 0 61 0 - 7.3-18.3 HB3 SER 38 - QB ALA 29 far 0 56 0 - 7.4-15.4 HA ALA 29 - QB ALA 16 far 0 81 0 - 7.4-21.9 HB THR 115 - QB ALA 110 far 0 58 0 - 7.7-10.4 HA LYS 31 - QB ALA 15 far 0 67 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 76 0 - 8.0-17.1 HA SER 99 - QB ALA 110 far 0 78 0 - 8.0-17.0 HA SER 99 - QB ALA 109 far 0 81 0 - 8.0-12.7 HA LYS 26 - QB ALA 16 far 0 66 0 - 8.1-18.7 HA LYS 26 - QB ALA 15 far 0 72 0 - 8.2-21.5 HA ALA 28 - QB ALA 16 far 0 96 0 - 8.5-21.4 HA GLU 30 - QB ALA 16 far 0 53 0 - 8.6-21.9 HA ALA 29 - QB ALA 15 far 0 88 0 - 8.8-24.0 HA GLN 27 - QB ALA 15 far 0 100 0 - 8.8-20.5 HA SER 94 - QB ALA 16 far 0 94 0 - 9.0-35.6 HA GLN 27 - QB ALA 16 far 0 95 0 - 9.1-20.0 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 8 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 2.7-3.5 3.6=100 H LYS 31 + HA ALA 29 OK 83 90 95 97 3.4-6.5 6326/10735=57...(11) H ALA 29 + HA ALA 28 OK 69 69 100 100 2.1-3.5 3.6=100 H GLU 30 + HA ALA 28 OK 45 52 100 87 3.0-5.1 6316/2.1=39, 4.6/6310=28...(9) H LYS 31 - HA ALA 28 poor 17 57 30 - 5.0-8.7 H ARG 23 - HA ALA 28 far 3 61 5 - 4.8-15.9 H ARG 23 - HA ALA 29 far 0 95 0 - 7.7-18.1 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 15 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 - 3.7-4.4 HG3 LYS 31 - HA ALA 29 far 0 99 0 - 3.9-9.1 QB ALA 28 - HA ALA 29 far 0 99 0 - 4.0-5.1 HG3 LYS 26 - HA ALA 28 far 0 69 0 - 4.2-8.9 HG3 LYS 26 - HA ALA 29 far 0 100 0 - 4.2-12.7 HG2 LYS 24 - HA ALA 28 far 0 69 0 - 7.0-14.6 HG2 LYS 19 - HA ALA 29 far 0 99 0 - 7.1-19.9 QB ALA 16 - HA ALA 29 far 0 95 0 - 7.4-21.9 HG2 LYS 19 - HA ALA 28 far 0 66 0 - 7.7-18.4 HG3 LYS 31 - HA ALA 28 far 0 67 0 - 8.0-12.0 QB ALA 16 - HA ALA 28 far 0 61 0 - 8.5-21.4 HG2 LYS 36 - HA ALA 29 far 0 100 0 - 8.5-13.6 QB ALA 15 - HA ALA 29 far 0 100 0 - 8.8-24.0 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 6 assignments used, quality = 1.00: * H GLU 30 + HA ALA 29 OK 100 100 100 100 2.7-3.5 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 64 69 100 93 3.0-5.1 6316/2.1=50, 4.6/6310=32...(9) H ALA 29 + HA ALA 28 OK 52 52 100 100 2.1-3.5 3.6=100 H ARG 23 - HA ALA 28 far 3 67 5 - 4.8-15.9 H ARG 23 - HA ALA 29 far 0 99 0 - 7.7-18.1 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 16 assignments used, quality = 1.00: * H ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-2.9 2.9=100 H ALA 29 + QB ALA 28 OK 98 98 100 100 1.8-3.7 3.7=100 H GLU 30 + QB ALA 29 OK 85 85 100 100 2.9-3.7 3.7=100 H LYS 31 + QB ALA 29 OK 81 90 95 95 4.4-6.3 10802/11488=43...(9) H LYS 31 + QB ALA 28 OK 81 86 95 99 3.3-6.1 6326/10791=76...(12) H GLU 30 + QB ALA 28 OK 80 80 100 100 2.1-3.5 4.0/10791=83...(13) H ARG 23 - QB ALA 28 far 9 90 10 - 4.9-14.5 H ARG 23 - QB ALA 29 far 5 95 5 - 6.1-16.4 H ARG 23 - QB ALA 16 far 4 71 5 - 5.7-13.6 H LYS 31 - QB ALA 16 far 3 66 5 - 5.6-20.3 H LYS 31 - QB ALA 15 far 0 89 0 - 7.9-21.8 H GLU 30 - QB ALA 16 far 0 61 0 - 8.0-21.0 H ARG 23 - QB ALA 15 far 0 93 0 - 9.1-15.0 H ALA 29 - QB ALA 16 far 0 80 0 - 9.2-22.1 H LEU 123 - QB ALA 108 far 0 76 0 - 9.5-16.5 H GLU 30 - QB ALA 15 far 0 83 0 - 9.7-23.9 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 24 assignments used, quality = 1.00: * HA ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 28 OK 84 84 100 100 2.1-2.1 2.1=100 HA ALA 28 - QB ALA 29 far 0 89 0 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 78 0 - 3.8-4.9 HA GLU 30 - QB ALA 29 far 0 96 0 - 3.8-4.3 HA ALA 29 - QB ALA 28 far 0 98 0 - 4.0-5.1 HA GLU 30 - QB ALA 28 far 0 91 0 - 4.2-5.2 HA SER 99 - QB ALA 108 far 0 94 0 - 4.8-12.7 HA GLN 27 - QB ALA 29 far 0 83 0 - 5.3-8.0 HA ALA 34 - QB ALA 16 far 0 71 0 - 5.7-26.7 HA HIS 67 - QB ALA 29 far 0 83 0 - 6.8-21.2 HA ALA 34 - QB ALA 29 far 0 95 0 - 7.2-10.3 HB3 SER 38 - QB ALA 29 far 0 96 0 - 7.4-15.4 HA ALA 29 - QB ALA 16 far 0 80 0 - 7.4-21.9 HA SER 99 - QB ALA 110 far 0 93 0 - 8.0-17.0 HA SER 99 - QB ALA 109 far 0 91 0 - 8.0-12.7 HA ALA 28 - QB ALA 16 far 0 65 0 - 8.5-21.4 HA GLU 30 - QB ALA 16 far 0 72 0 - 8.6-21.9 HA HIS 67 - QB ALA 12 far 0 42 0 - 8.6-35.9 HA ALA 29 - QB ALA 15 far 0 100 0 - 8.8-24.0 HA GLN 27 - QB ALA 15 far 0 81 0 - 8.8-20.5 HA SER 94 - QB ALA 16 far 0 73 0 - 9.0-35.6 HA GLN 27 - QB ALA 16 far 0 59 0 - 9.1-20.0 HA ALA 34 - QB ALA 15 far 0 93 0 - 9.2-28.2 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 2.4-3.0 3.0=100 HB2 GLN 27 - HA GLU 30 far 0 68 0 - 6.9-10.5 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 2 assignments used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.5-2.8 3.0=100 HB VAL 20 - HA GLU 30 far 0 97 0 - 8.7-22.5 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 2.0-4.1 3.8=100 Violated in 1 structures by 0.01 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 2.1-3.7 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 2.6-3.6 3.6=100 H ALA 29 + HA GLU 30 OK 90 90 100 99 4.8-5.4 2.9/10740=43, ~10735=41...(24) H ARG 23 - HA GLU 30 far 0 60 0 - 9.2-19.9 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 2.4-3.0 3.0=100 HA ALA 28 - HB2 GLU 30 far 0 60 0 - 4.4-6.7 HA ALA 29 - HB2 GLU 30 far 0 96 0 - 4.8-5.8 HA SER 94 - HB3 ARG 90 far 0 46 0 - 5.3-7.5 HA ALA 88 - HB3 ARG 90 far 0 65 0 - 5.6-7.3 HB THR 25 - HB2 GLU 30 far 0 68 0 - 7.0-13.8 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 6 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 59 63 100 93 2.3-3.0 2.9=62, 2787/3.0=21...(18) HB2 GLU 91 - HB3 ARG 90 far 0 58 0 - 4.2-6.4 HB3 GLU 91 - HB3 ARG 90 far 0 48 0 - 5.4-6.6 HB VAL 20 - HB2 GLU 30 far 0 97 0 - 6.3-20.1 HB ILE 129 - HB3 ARG 90 far 0 67 0 - 9.8-11.5 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 2.2-3.0 3.0=100 HG2 GLU 97 - HB3 ARG 90 far 0 37 0 - 7.2-12.6 HB VAL 132 - HB3 ARG 90 far 0 66 0 - 8.4-9.8 HB3 LEU 96 - HB3 ARG 90 far 0 37 0 - 8.8-10.6 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 - 8.4-9.8 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 2.5-2.8 3.0=100 HA ALA 29 - HB3 GLU 30 far 0 96 0 - 5.9-6.5 HA ALA 28 - HB3 GLU 30 far 0 60 0 - 5.9-7.5 HA SER 51 - HB2 GLU 55 far 0 31 0 - 6.2-7.6 HB THR 25 - HB3 GLU 30 far 0 68 0 - 7.6-14.8 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 - 5.7-10.2 HG2 PRO 113 - HB2 GLU 55 far 0 30 0 - 7.6-12.8 HG LEU 53 - HB2 GLU 55 far 0 31 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 770 from aliabs.peaks (2.01, 2.01, 29.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 30 + HB3 GLU 30 OK 100 100 - 100 HB2 GLU 55 + HB2 GLU 55 OK 22 22 - 100 Peak 771 from aliabs.peaks (2.27, 2.01, 29.75 ppm; 3.39 A): 1 out of 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 - 6.9-10.3 HB3 PRO 113 - HB2 GLU 55 far 0 31 0 - 7.1-12.7 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 2.9-3.0 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 2.8-3.8 5.1=100 H ALA 29 + HG2 GLU 30 OK 85 85 100 100 4.9-6.3 4.6/6320=95...(16) 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 5.8-6.6 1237/3.9=45...(6) H ARG 23 - HG2 GLU 30 far 0 99 0 - 8.1-19.9 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 6 assignments used, quality = 1.00: * HA GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.0-4.1 3.8=90, 3.0/6320=56...(17) HB3 SER 38 - HG2 GLU 40 far 10 65 15 - 3.3-7.2 HA ALA 28 - HG2 GLU 30 far 0 60 0 - 4.9-7.8 HA ALA 29 - HG2 GLU 30 far 0 96 0 - 5.4-7.0 HB THR 25 - HG2 GLU 30 far 0 68 0 - 5.9-14.6 HA ALA 34 - HG2 GLU 40 far 0 65 0 - 7.9-15.1 Violated in 7 structures by 0.06 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 2.2-3.0 3.0=100 HB2 GLN 27 - HG2 GLU 30 far 3 68 5 - 3.9-10.4 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 7 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 2.3-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 0 57 0 - 4.9-8.7 HB VAL 20 - HG2 GLU 30 far 0 97 0 - 7.4-22.6 HB2 GLN 134 - HG2 GLU 40 far 0 60 0 - 8.2-13.5 HB2 PRO 81 - HG2 GLU 40 far 0 21 0 - 9.3-17.2 HG2 PRO 81 - HG2 GLU 40 far 0 64 0 - 9.8-15.9 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 0 62 0 - 4.6-6.5 HB3 GLN 134 - HG2 GLU 40 far 0 45 0 - 7.5-13.2 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 1.9-3.5 5.1=100 H ALA 29 + HG3 GLU 30 OK 85 85 100 100 3.7-5.9 4.6/6321=88, ~10735=74...(19) 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 5.8-6.6 1237/3.9=45...(7) H ARG 23 - HG3 GLU 30 far 0 99 0 - 8.5-19.4 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 6 assignments used, quality = 0.99: * HA GLU 30 + HG3 GLU 30 OK 99 100 100 99 2.1-3.7 3.8=84, 3.0/6321=52...(16) HB3 SER 38 - HG2 GLU 40 far 10 65 15 - 3.3-7.2 HA ALA 29 - HG3 GLU 30 far 10 96 10 - 4.3-6.6 HA ALA 28 - HG3 GLU 30 far 6 60 10 - 3.6-6.5 HB THR 25 - HG3 GLU 30 far 0 68 0 - 7.3-14.6 HA ALA 34 - HG2 GLU 40 far 0 65 0 - 7.9-15.1 Violated in 4 structures by 0.02 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 - 4.2-10.5 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 7 assignments used, quality = 1.00: * HB3 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLU 40 + HG2 GLU 40 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 0 57 0 - 4.9-8.7 HB2 GLN 134 - HG2 GLU 40 far 0 60 0 - 8.2-13.5 HB VAL 20 - HG3 GLU 30 far 0 97 0 - 8.4-21.2 HB2 PRO 81 - HG2 GLU 40 far 0 21 0 - 9.3-17.2 HG2 PRO 81 - HG2 GLU 40 far 0 64 0 - 9.8-15.9 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 - 9.3-17.2 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 22 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HB2 ARG 23 + HA ARG 23 OK 52 52 100 100 2.3-2.9 3.0=100 HB2 LYS 31 - HA ARG 23 far 6 56 10 - 4.6-15.9 HB2 LYS 31 - HA LYS 26 far 5 100 5 - 4.0-13.4 HB2 LYS 26 - HA ARG 23 far 3 55 5 - 4.7-9.7 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 4.8-11.1 HB2 LYS 24 - HA ARG 23 far 0 56 0 - 4.9-6.1 HB2 LYS 24 - HA LYS 19 far 0 100 0 - 5.2-14.4 HB2 LYS 26 - HA LYS 31 far 0 100 0 - 5.4-14.5 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-17.5 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.5-8.7 HB2 ARG 23 - HA LYS 26 far 0 98 0 - 5.7-10.0 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-16.3 HB2 ARG 23 - HA LYS 31 far 0 98 0 - 6.8-19.6 HB2 LYS 19 - HA ARG 23 far 0 56 0 - 6.9-11.3 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 7.7-19.5 HB2 LYS 19 - HA LYS 31 far 0 100 0 - 8.0-20.2 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 8.4-17.8 HB2 LYS 31 - HA LYS 36 far 0 56 0 - 8.7-13.3 HB2 LYS 39 - HA LYS 36 far 0 41 0 - 8.8-11.5 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 2.3-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-2.6 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 2.7-3.0 3.0=100 HB3 ARG 23 + HA ARG 23 OK 54 54 100 100 2.2-3.0 3.0=100 HB3 LYS 31 - HA ARG 23 far 6 56 10 - 3.9-17.1 HB3 ARG 23 - HA LYS 26 far 5 99 5 - 4.3-10.0 HB3 LYS 24 - HA ARG 23 far 3 55 5 - 4.4-6.5 HB3 LYS 26 - HA ARG 23 far 3 55 5 - 4.5-10.3 HB3 LYS 26 - HA LYS 31 far 0 100 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 100 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 100 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 100 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 100 0 - 5.7-18.7 HB3 LYS 19 - HA ARG 23 far 0 55 0 - 5.8-10.2 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 56 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 100 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 100 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 99 0 - 7.8-20.0 HB ILE 32 - HA ARG 23 far 0 56 0 - 8.0-20.1 HB3 LYS 19 - HA LYS 31 far 0 100 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 100 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 43 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 99 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 100 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 792 from aliabs.peaks (1.46, 4.27, 56.29 ppm; 4.38 A): 5 out of 25 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-4.2 3.8=100 HG3 LYS 19 + HA LYS 19 OK 84 84 100 100 3.8-4.2 4.2=100 HG2 LYS 26 + HA LYS 26 OK 68 68 100 100 3.4-4.2 4.0=100 HG3 LYS 36 + HA LYS 36 OK 56 56 100 100 3.5-3.8 4.1=100 HG13 ILE 32 + HA LYS 31 OK 42 63 70 95 4.5-6.4 6345/6342=63...(13) HG3 LYS 24 - HA ARG 23 poor 10 52 20 - 5.0-7.0 HG2 LYS 31 - HA LYS 19 far 5 100 5 - 3.6-20.1 HG2 LYS 31 - HA LYS 26 far 5 100 5 - 5.2-13.1 HG2 LYS 26 - HA ARG 23 far 3 31 10 - 2.4-10.5 HG2 LYS 31 - HA ARG 23 far 3 56 5 - 4.5-18.5 HG13 ILE 32 - HA LYS 26 far 0 62 0 - 5.4-12.6 HG2 LYS 26 - HA LYS 31 far 0 68 0 - 5.5-15.2 HG3 LYS 24 - HA LYS 19 far 0 98 0 - 5.7-13.9 HG3 LYS 19 - HA ARG 23 far 0 41 0 - 7.0-10.2 HG3 LYS 24 - HA LYS 26 far 0 98 0 - 7.1-9.9 HG13 ILE 32 - HA LYS 19 far 0 62 0 - 7.5-22.0 HG3 LYS 36 - HA LYS 31 far 0 100 0 - 7.6-11.7 HG13 ILE 32 - HA ARG 23 far 0 28 0 - 7.8-17.9 HG3 LYS 24 - HA LYS 31 far 0 98 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 84 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 31 0 - 8.0-20.6 HG2 LYS 31 - HA LYS 36 far 0 56 0 - 8.1-14.6 HG13 ILE 32 - HA LYS 36 far 0 28 0 - 8.4-11.2 HG2 LYS 26 - HA LYS 19 far 0 68 0 - 8.6-19.4 HG3 LYS 19 - HA LYS 31 far 0 85 0 - 9.3-20.3 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 47 assignments used, quality = 1.00: HG3 LYS 26 + HA LYS 26 OK 99 100 100 100 2.5-3.8 4.0=72, 6253/2.9=57...(31) * HG3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.1-3.7 3.8=86, 1.8/822=30...(22) HG2 LYS 19 + HA LYS 19 OK 91 91 100 99 3.5-3.7 4.2=66, 10714/11764=40...(39) HG2 LYS 36 + HA LYS 36 OK 55 55 100 99 2.9-3.8 4.1=68, 6394/3.0=55...(29) HG2 LYS 24 - HA ARG 23 poor 16 52 30 - 3.7-6.5 QB ALA 28 - HA ARG 23 far 6 56 10 - 3.6-12.8 HG3 LYS 26 - HA ARG 23 far 5 55 10 - 2.5-9.1 HG3 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-19.8 QB ALA 28 - HA LYS 19 far 5 100 5 - 4.2-16.4 QB ALA 28 - HA LYS 26 far 5 100 5 - 4.5-7.6 HG2 LYS 24 - HA LYS 19 far 5 98 5 - 4.2-13.3 QB ALA 34 - HA LYS 19 far 3 60 5 - 3.0-20.7 HG3 LYS 31 - HA LYS 26 far 0 100 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 100 0 - 4.7-11.8 QB ALA 34 - HA ARG 23 far 0 27 0 - 4.9-22.7 QB ALA 29 - HA LYS 36 far 0 54 0 - 4.9-11.6 QB ALA 16 - HA ARG 23 far 0 54 0 - 5.2-13.6 QB ALA 29 - HA LYS 26 far 0 99 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 99 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 99 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 100 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 99 0 - 5.8-7.6 HG3 LYS 31 - HA ARG 23 far 0 56 0 - 6.1-18.5 QB ALA 34 - HA LYS 36 far 0 27 0 - 6.5-6.6 QB ALA 34 - HA LYS 26 far 0 60 0 - 6.5-18.5 HG3 LYS 26 - HA LYS 31 far 0 100 0 - 6.6-15.0 QB ALA 29 - HA ARG 23 far 0 53 0 - 6.6-14.2 QB ALA 12 - HA LYS 19 far 0 68 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 98 0 - 6.9-20.8 HG2 LYS 19 - HA ARG 23 far 0 46 0 - 7.1-10.0 HG2 LYS 24 - HA LYS 26 far 0 98 0 - 7.2-9.6 QB ALA 29 - HA LYS 19 far 0 99 0 - 7.3-18.3 QB ALA 15 - HA ARG 23 far 0 55 0 - 7.8-16.4 QB ALA 15 - HA LYS 31 far 0 100 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 99 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 50 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 100 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 55 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 100 0 - 8.4-12.7 QB ALA 34 - HA LYS 31 far 0 60 0 - 8.5-9.9 HG2 LYS 19 - HA LYS 26 far 0 91 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 55 0 - 8.8-20.2 HG2 LYS 19 - HA LYS 31 far 0 92 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 56 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 56 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 68 0 - 9.8-28.1 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 44 assignments used, quality = 1.00: * HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.9 5.2=66, ~6331=34...(34) HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.8 5.2=66, ~6331=34...(34) HD3 LYS 26 + HA LYS 26 OK 99 99 100 100 2.5-5.2 5.0=76, ~6253=40...(33) HD2 LYS 26 + HA LYS 26 OK 89 100 90 100 3.8-5.5 5.0=76, ~6253=40...(33) HD2 LYS 19 + HA LYS 19 OK 89 99 90 100 3.6-5.5 5.2=68, 10696/11871=40...(42) HD3 LYS 19 + HA LYS 19 OK 89 99 90 100 3.9-5.5 5.2=68, 3.0/627=30...(41) HD3 LYS 36 + HA LYS 36 OK 54 55 100 100 4.1-5.2 5.3=64, 1042/3.0=41...(30) HD2 LYS 36 + HA LYS 36 OK 54 54 100 100 4.2-5.0 5.3=64, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 15 99 15 - 5.0-16.1 HD3 LYS 24 - HA ARG 23 poor 11 55 20 - 3.7-7.9 HD2 LYS 24 - HA ARG 23 far 8 54 15 - 4.8-8.7 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-21.0 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 3.8-16.5 HD2 LYS 26 - HA ARG 23 far 3 55 5 - 2.1-11.5 HD3 LYS 26 - HA ARG 23 far 3 53 5 - 3.6-11.3 HD2 LYS 24 - HA LYS 19 far 0 99 0 - 6.1-16.0 HD3 LYS 31 - HA ARG 23 far 0 55 0 - 6.1-18.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-15.8 HD2 LYS 31 - HA ARG 23 far 0 56 0 - 6.6-18.6 HD2 LYS 19 - HA LYS 31 far 0 100 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 99 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 100 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 56 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 99 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 54 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 56 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 55 0 - 8.3-21.8 HD3 LYS 19 - HA ARG 23 far 0 53 0 - 8.5-12.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 99 0 - 8.7-21.9 HD2 LYS 19 - HA ARG 23 far 0 55 0 - 8.7-12.4 HD3 LYS 36 - HA LYS 31 far 0 99 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 99 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 99 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 99 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 99 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 34 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 99 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 99 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 50 0 - 9.8-13.7 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 44 assignments used, quality = 1.00: * HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.8 5.2=66, ~6331=34...(34) HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.9 5.2=66, ~6331=34...(34) HD3 LYS 26 + HA LYS 26 OK 99 100 100 100 2.5-5.2 5.0=76, ~6253=40...(33) HD2 LYS 26 + HA LYS 26 OK 90 100 90 100 3.8-5.5 5.0=76, ~6253=40...(33) HD2 LYS 19 + HA LYS 19 OK 88 98 90 100 3.6-5.5 5.2=68, 10696/11871=39...(42) HD3 LYS 19 + HA LYS 19 OK 87 97 90 100 3.9-5.5 5.2=68, 3.0/627=30...(41) HD3 LYS 36 + HA LYS 36 OK 56 56 100 100 4.1-5.2 5.3=64, 1042/3.0=41...(30) HD2 LYS 36 + HA LYS 36 OK 55 55 100 100 4.2-5.0 5.3=64, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 15 100 15 - 5.0-16.1 HD3 LYS 24 - HA ARG 23 poor 11 55 20 - 3.7-7.9 HD2 LYS 24 - HA ARG 23 far 8 55 15 - 4.8-8.7 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 2.1-21.0 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 3.8-16.5 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-21.0 HD2 LYS 26 - HA ARG 23 far 3 56 5 - 2.1-11.5 HD3 LYS 26 - HA ARG 23 far 3 55 5 - 3.6-11.3 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.1-16.0 HD3 LYS 31 - HA ARG 23 far 0 56 0 - 6.1-18.9 HD3 LYS 24 - HA LYS 19 far 0 99 0 - 6.6-15.8 HD2 LYS 31 - HA ARG 23 far 0 55 0 - 6.6-18.6 HD2 LYS 19 - HA LYS 31 far 0 99 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 100 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 56 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 97 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 55 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 56 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 56 0 - 8.3-21.8 HD3 LYS 19 - HA ARG 23 far 0 51 0 - 8.5-12.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 8.7-21.9 HD2 LYS 19 - HA ARG 23 far 0 53 0 - 8.7-12.4 HD3 LYS 36 - HA LYS 31 far 0 100 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 98 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 100 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 39 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 100 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 47 0 - 9.8-13.7 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 2.8-3.5 3.6=100 H ILE 32 - HA LYS 19 far 0 100 0 - 7.2-20.5 H ILE 32 - HA LYS 26 far 0 100 0 - 7.4-13.7 H ILE 32 - HA ARG 23 far 0 56 0 - 7.5-18.7 H ILE 32 - HA LYS 36 far 0 56 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 800 from aliabs.peaks (4.27, 1.74, 32.63 ppm; 3.91 A): 5 out of 49 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HA THR 25 + HB2 LYS 24 OK 78 82 95 99 4.0-5.6 3.0/6232=67, ~6233=43...(19) HA THR 25 + HB2 LYS 26 OK 24 82 30 97 4.5-6.1 3.6/6250=69...(22) HA LEU 22 - HB2 LYS 24 poor 17 99 30 56 4.2-8.1 409/10702=19...(10) HA GLN 27 - HB2 LYS 26 far 11 75 15 - 3.9-5.9 HA ARG 23 - HB2 LYS 31 far 10 99 10 - 4.6-15.9 HA LYS 26 - HB2 LYS 31 far 5 100 5 - 4.0-13.4 HA ARG 23 - HB2 LYS 26 far 5 98 5 - 4.7-9.7 HA GLN 27 - HB2 LYS 31 far 4 76 5 - 4.2-11.7 HA ARG 23 - HB2 LYS 24 far 0 98 0 - 4.9-6.1 HA ALA 16 - HB2 LYS 19 far 0 99 0 - 5.1-9.5 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 5.2-14.4 HA THR 18 - HB2 LYS 19 far 0 96 0 - 5.3-6.2 HA LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-14.5 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 5.5-17.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.5-8.7 HA ALA 28 - HB2 LYS 24 far 0 68 0 - 5.6-13.0 HA GLN 27 - HB2 LYS 19 far 0 75 0 - 5.7-17.7 HA GLN 61 - HB2 LYS 24 far 0 98 0 - 5.8-38.1 HA ALA 28 - HB2 LYS 19 far 0 67 0 - 5.9-18.5 HA ALA 15 - HB2 LYS 19 far 0 98 0 - 5.9-12.4 HA ALA 28 - HB2 LYS 26 far 0 67 0 - 5.9-8.7 HA ALA 28 - HB2 LYS 31 far 0 68 0 - 6.0-11.1 HA THR 25 - HB2 LYS 31 far 0 83 0 - 6.5-14.5 HA LEU 22 - HB2 LYS 31 far 0 100 0 - 6.5-20.9 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 6.8-16.3 HA ARG 23 - HB2 LYS 19 far 0 98 0 - 6.9-11.3 HA ALA 16 - HB2 LYS 31 far 0 99 0 - 7.1-22.6 HA ALA 21 - HB2 LYS 19 far 0 70 0 - 7.4-8.7 HA ALA 12 - HB2 LYS 19 far 0 91 0 - 7.5-21.5 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 7.7-19.5 HA GLN 27 - HB2 LYS 24 far 0 75 0 - 7.9-11.1 HA LYS 31 - HB2 LYS 19 far 0 100 0 - 8.0-20.2 HA THR 18 - HB2 LYS 31 far 0 97 0 - 8.0-21.4 HA THR 18 - HB2 LYS 24 far 0 96 0 - 8.2-14.2 HA ALA 21 - HB2 LYS 24 far 0 70 0 - 8.2-10.8 HA SER 74 - HB2 LYS 19 far 0 86 0 - 8.2-31.6 HA GLN 61 - HB2 LYS 26 far 0 97 0 - 8.3-37.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 8.4-17.8 HA ALA 15 - HB2 LYS 31 far 0 98 0 - 8.5-24.7 HA LYS 36 - HB2 LYS 31 far 0 93 0 - 8.7-13.3 HA LEU 22 - HB2 LYS 26 far 0 99 0 - 8.7-14.1 HA LYS 36 - HB2 LYS 39 far 0 43 0 - 8.8-11.5 HA ALA 21 - HB2 LYS 31 far 0 71 0 - 9.1-21.0 HA LEU 22 - HB2 LYS 19 far 0 99 0 - 9.3-11.5 HA ALA 21 - HB2 LYS 26 far 0 70 0 - 9.7-15.5 HA THR 25 - HB2 LYS 19 far 0 82 0 - 9.8-17.2 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 - 2.2-14.0 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 3.4-9.6 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 4.5-13.9 HB3 ARG 23 - HB2 LYS 26 far 0 99 0 - 5.1-11.4 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 5.5-6.7 HB3 ARG 23 - HB2 LYS 31 far 0 99 0 - 5.8-17.1 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.8-10.8 HB2 CYS 79 - HB2 LYS 39 far 0 38 0 - 6.0-9.5 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.1-17.5 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 6.1-14.6 HB3 ARG 23 - HB2 LYS 24 far 0 99 0 - 6.4-7.2 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-16.6 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.9-14.3 HB3 ARG 23 - HB2 LYS 19 far 0 99 0 - 6.9-12.5 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-18.5 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.5-15.7 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.5-11.2 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 7.9-17.1 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 7.9-21.9 HB3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.1-18.0 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 8.2-20.5 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-18.4 HB2 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.5-18.2 HB2 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.0-24.5 Violated in 0 structures by 0.00 A. Peak 803 from aliabs.peaks (1.46, 1.74, 32.63 ppm; 4.39 A): 5 out of 24 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB2 LYS 19 OK 84 84 100 100 2.7-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 67 67 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 38 63 70 86 3.8-6.2 6345/809=49, ~10816=35...(14) HG2 LYS 31 - HB2 LYS 26 far 10 100 10 - 3.3-13.1 HG13 ILE 32 - HB2 LYS 26 far 9 62 15 - 4.2-12.5 HG2 LYS 26 - HB2 LYS 24 far 3 68 5 - 5.1-11.3 HG2 LYS 26 - HB2 LYS 31 lone 1 68 30 7 4.2-12.5 831/809=3, 821/6331=1 HG3 LYS 24 - HB2 LYS 26 far 0 97 0 - 5.4-11.3 HG2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.8-19.4 HG13 ILE 32 - HB2 LYS 19 far 0 62 0 - 7.1-21.1 HG3 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.3-13.4 HG2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-19.0 HG3 LYS 24 - HB2 LYS 19 far 0 98 0 - 7.4-15.0 HG13 ILE 32 - HB2 LYS 24 far 0 62 0 - 7.5-18.2 HG3 LYS 24 - HB2 LYS 31 far 0 98 0 - 7.7-19.4 HG3 LYS 19 - HB2 LYS 26 far 0 84 0 - 7.7-18.0 HG3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.4-20.7 HG3 LYS 19 - HB2 LYS 31 far 0 85 0 - 8.6-17.4 HG3 LYS 19 - HB2 LYS 24 far 0 84 0 - 8.9-14.4 HG2 LYS 26 - HB2 LYS 19 far 0 67 0 - 9.3-19.5 QB ALA 52 - HB2 LYS 26 far 0 75 0 - 9.6-33.0 QB ALA 52 - HB2 LYS 24 far 0 75 0 - 9.8-34.9 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 45 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.3-2.9 2.9=100 HG2 LYS 19 + HB2 LYS 19 OK 91 91 100 100 2.4-2.9 3.0=100 QB ALA 28 - HB2 LYS 31 far 15 100 15 - 4.2-8.2 HG3 LYS 31 - HB2 LYS 26 far 10 100 10 - 4.2-14.0 HG3 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.5-10.3 QB ALA 15 - HB2 LYS 19 far 10 100 10 - 3.6-11.3 QB ALA 28 - HB2 LYS 19 far 5 100 5 - 3.2-16.4 QB ALA 28 - HB2 LYS 24 far 5 100 5 - 3.9-12.5 QB ALA 16 - HB2 LYS 31 far 5 99 5 - 3.9-19.7 QB ALA 16 - HB2 LYS 19 far 5 99 5 - 4.4-8.5 QB ALA 34 - HB2 LYS 19 far 3 59 5 - 2.9-20.2 HB2 LEU 42 - HB2 LYS 39 far 2 45 5 - 4.9-6.2 QB ALA 34 - HB2 LYS 26 far 0 59 0 - 5.0-17.9 QB ALA 12 - HB2 LYS 19 far 0 67 0 - 5.0-17.0 HG3 LYS 26 - HB2 LYS 31 far 0 100 0 - 5.0-12.1 QB ALA 28 - HB2 LYS 26 far 0 100 0 - 5.2-8.6 HG3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.0-18.8 QB ALA 15 - HB2 LYS 31 far 0 100 0 - 6.0-20.0 HG2 LYS 24 - HB2 LYS 26 far 0 97 0 - 6.0-10.8 QB ALA 29 - HB2 LYS 26 far 0 99 0 - 6.3-10.0 QB ALA 34 - HB2 LYS 24 far 0 60 0 - 6.3-23.8 QB ALA 29 - HB2 LYS 31 far 0 99 0 - 6.3-7.5 HG2 LYS 24 - HB2 LYS 31 far 0 98 0 - 6.3-18.4 HG2 LYS 24 - HB2 LYS 19 far 0 98 0 - 6.4-14.1 QB ALA 29 - HB2 LYS 24 far 0 99 0 - 6.5-14.6 QB ALA 29 - HB2 LYS 19 far 0 99 0 - 6.8-17.9 HG3 LYS 31 - HB2 LYS 24 far 0 100 0 - 6.9-19.1 HG2 LYS 19 - HB2 LYS 26 far 0 91 0 - 8.3-18.2 QB ALA 34 - HB2 LYS 31 far 0 60 0 - 8.5-10.8 HG2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.6-14.2 HG2 LYS 19 - HB2 LYS 24 far 0 91 0 - 8.6-14.0 QB ALA 34 - HB2 LYS 39 far 0 24 0 - 8.7-13.1 HG2 LYS 19 - HB2 LYS 31 far 0 92 0 - 8.7-17.7 HG2 LYS 36 - HB2 LYS 39 far 0 50 0 - 9.1-13.2 QB ALA 16 - HB2 LYS 24 far 0 99 0 - 9.2-17.0 QB ALA 12 - HB2 LYS 31 far 0 68 0 - 9.3-27.9 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-18.8 QB ALA 12 - HB2 LYS 26 far 0 67 0 - 9.5-29.0 QB ALA 15 - HB2 LYS 26 far 0 99 0 - 9.6-23.5 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.6-19.3 QB ALA 16 - HB2 LYS 26 far 0 99 0 - 9.9-20.6 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-42.9 HG2 LYS 36 - HB2 LYS 26 far 0 99 0 - 9.9-20.9 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 38 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 2.0-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.1 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.0 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.1-3.8 3.9=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.0-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.3-3.6 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 1.9-3.7 3.5=100 HG LEU 43 + HB2 LYS 39 OK 43 45 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 39 + HB2 LYS 39 OK 31 31 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.8-12.9 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.5-20.9 HD2 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.5-14.9 HD3 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.6-14.8 HD3 LYS 26 - HB2 LYS 24 far 5 99 5 - 3.3-12.3 HD2 LYS 26 - HB2 LYS 31 lone 3 100 30 10 2.4-13.9 6348/809=5, 6335/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 99 25 7 2.6-13.4 6348/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 99 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 99 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 99 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 99 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.1-20.0 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 38 assignments used, quality = 1.00: * HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.0 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 3.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 1.9-3.7 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-4.1 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.1-3.8 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.3-3.6 3.9=100 HG LEU 43 + HB2 LYS 39 OK 40 42 95 100 4.0-5.7 ~11901=55...(21) HD2 LYS 39 + HB2 LYS 39 OK 35 35 100 100 2.0-4.0 3.6=100 HD2 LYS 26 - HB2 LYS 24 far 10 100 10 - 3.8-12.9 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.0-20.8 HD3 LYS 26 - HB2 LYS 24 far 5 100 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.6-14.8 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.5-20.9 HD2 LYS 31 - HB2 LYS 26 far 5 100 5 - 5.5-14.9 HD2 LYS 26 - HB2 LYS 31 lone 3 100 30 10 2.4-13.9 6347/809=5, 6335/6331=2 HD3 LYS 26 - HB2 LYS 31 lone 2 100 25 7 2.6-13.4 6348/809=4 HD2 LYS 19 - HB2 LYS 31 far 0 99 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.3-20.7 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.3-19.0 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 99 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 98 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.0-13.9 HD3 LYS 19 - HB2 LYS 26 far 0 97 0 - 9.1-20.3 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.1-20.0 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 39 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 3.1-5.4 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.8-5.4 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 1.9-5.1 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 23 23 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 23 23 100 100 3.6-5.3 4.9=100 HE3 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.2-14.2 HE2 LYS 31 - HB2 LYS 19 far 15 100 15 - 6.6-21.4 HE2 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.3-15.1 HE3 LYS 31 - HB2 LYS 26 far 15 99 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-20.1 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 10 99 10 - 5.7-16.4 HE3 LYS 24 - HB2 LYS 19 far 10 95 10 - 6.2-16.4 HE3 LYS 26 - HB2 LYS 24 poor 7 100 25 28 3.2-10.9 9587/11151=22 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.6-19.1 HE2 LYS 36 - HB2 LYS 31 far 5 100 5 - 7.6-13.8 HE2 LYS 24 - HB2 LYS 26 far 5 99 5 - 7.5-13.7 HE3 LYS 24 - HB2 LYS 26 far 5 95 5 - 6.0-13.1 HE2 LYS 26 - HB2 LYS 24 lone 5 100 30 15 3.9-12.6 9587/11151=10 HE2 LYS 26 - HB2 LYS 31 lone 3 100 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 51 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 100 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 31 0 - 9.8-11.7 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 39 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.9-4.8 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-5.1 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.0-4.7 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 31 31 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 31 31 100 100 3.6-5.3 4.9=100 HE3 LYS 26 - HB2 LYS 31 poor 20 98 20 - 3.2-14.2 HE3 LYS 31 - HB2 LYS 26 far 15 100 15 - 6.8-14.2 HE2 LYS 31 - HB2 LYS 19 far 15 99 15 - 6.6-21.4 HE2 LYS 31 - HB2 LYS 26 far 15 99 15 - 6.3-15.1 HE3 LYS 31 - HB2 LYS 24 far 10 100 10 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 10 100 10 - 5.7-16.4 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 5.0-20.1 HE3 LYS 24 - HB2 LYS 19 far 10 99 10 - 6.2-16.4 HE3 LYS 26 - HB2 LYS 24 poor 7 98 25 28 3.2-10.9 9587/11151=22 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.6-19.1 HE2 LYS 24 - HB2 LYS 26 far 5 100 5 - 7.5-13.7 HE3 LYS 24 - HB2 LYS 26 far 5 99 5 - 6.0-13.1 HE2 LYS 36 - HB2 LYS 31 far 5 99 5 - 7.6-13.8 HE2 LYS 26 - HB2 LYS 24 lone 5 99 30 15 3.9-12.6 9587/11151=11 HE2 LYS 26 - HB2 LYS 31 lone 3 99 35 9 4.5-15.1 6337/6331=2 HE3 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.2-21.4 HE2 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.4-16.6 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.5-14.6 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.2 HE3 LYS 36 - HB2 LYS 39 far 0 49 0 - 8.8-14.7 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.9-21.4 HE2 LYS 36 - HB2 LYS 26 far 0 99 0 - 9.0-21.3 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 9.0-17.3 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-26.0 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.8-11.7 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 54 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-2.6 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 2.7-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 58 74 80 98 3.9-4.8 3.0/6263=65, ~6262=38...(21) HA PHE 87 + HB2 LYS 86 OK 50 60 85 98 3.8-5.5 2724/1.8=46, 2.9/7156=44...(17) HA THR 25 - HB3 LYS 24 poor 16 82 20 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 15 98 15 - 4.4-6.5 HA ARG 23 - HB3 LYS 31 far 10 99 10 - 3.9-17.1 HA LEU 22 - HB3 LYS 24 far 5 99 5 - 3.4-7.5 HA ARG 23 - HB3 LYS 26 far 5 98 5 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 100 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 97 0 - 4.9-10.4 HA ALA 28 - HB3 LYS 26 far 0 67 0 - 5.2-8.2 HA ARG 84 - HB2 LYS 86 far 0 37 0 - 5.2-6.7 HA ALA 28 - HB3 LYS 19 far 0 65 0 - 5.4-17.2 HA LYS 19 - HB3 LYS 24 far 0 100 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 100 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 100 0 - 5.5-22.2 HA ALA 28 - HB3 LYS 24 far 0 67 0 - 5.6-13.9 HA THR 25 - HB3 LYS 26 far 0 81 0 - 5.6-6.3 HA GLN 27 - HB3 LYS 31 far 0 76 0 - 5.7-10.9 HA LYS 19 - HB3 LYS 31 far 0 100 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 96 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 94 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 98 0 - 5.9-14.9 HA GLN 27 - HB3 LYS 19 far 0 72 0 - 6.0-16.8 HA GLN 61 - HB3 LYS 24 far 0 97 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 99 0 - 6.8-22.8 HA ALA 28 - HB3 LYS 31 far 0 68 0 - 6.8-10.4 HA ALA 21 - HB3 LYS 19 far 0 67 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 97 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 88 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 70 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 85 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 95 0 - 7.5-13.6 HA GLN 27 - HB3 LYS 24 far 0 75 0 - 7.7-11.4 HA ALA 21 - HB3 LYS 31 far 0 71 0 - 7.8-22.1 HA LYS 31 - HB3 LYS 19 far 0 98 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 83 0 - 8.1-15.3 HA SER 74 - HB2 LYS 86 far 0 46 0 - 8.2-11.8 HA SER 74 - HB3 LYS 19 far 0 83 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 98 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 98 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 96 0 - 9.0-14.8 HA THR 25 - HB3 LYS 19 far 0 79 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 85 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 100 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 64 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 99 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 69 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 97 0 - 9.9-37.8 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 27 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 HB2 LYS 31 - HB3 LYS 26 far 5 100 5 - 2.2-14.0 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 3.4-9.6 HB ILE 80 - HB2 LYS 86 far 0 57 0 - 3.4-5.1 HG3 ARG 90 - HB2 LYS 86 far 0 59 0 - 4.3-7.2 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-13.9 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 4.7-18.8 HB2 ARG 23 - HB3 LYS 19 far 0 95 0 - 4.7-10.4 HB2 ARG 23 - HB3 LYS 26 far 0 97 0 - 5.3-11.7 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.8-10.8 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.1-17.5 HB2 ARG 23 - HB3 LYS 24 far 0 97 0 - 6.2-7.9 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.8-16.6 HB2 LYS 24 - HB3 LYS 19 far 0 98 0 - 6.9-14.3 HB2 LYS 19 - HB3 LYS 31 far 0 100 0 - 7.3-18.5 HB2 LYS 31 - HB3 LYS 19 far 0 98 0 - 7.5-15.7 HB2 LYS 31 - HB2 LYS 36 far 0 85 0 - 7.5-11.2 HB2 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.9-17.1 HB2 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.1-18.0 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.4-18.4 HB2 LYS 26 - HB2 LYS 36 far 0 85 0 - 8.5-18.2 HB2 LYS 19 - HB2 LYS 36 far 0 85 0 - 9.0-24.5 HB3 LEU 70 - HB3 LYS 24 far 0 59 0 - 9.6-37.2 HG13 ILE 129 - HB2 LYS 86 far 0 60 0 - 9.7-13.6 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): 6 out of 29 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.2-2.8 2.9=100 HG3 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.6-2.8 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 81 81 100 100 2.2-2.5 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 67 67 100 100 2.2-2.6 3.0=100 HG3 LYS 86 + HB2 LYS 86 OK 45 45 100 100 2.2-3.0 3.0=100 HG13 ILE 32 - HB3 LYS 26 poor 12 61 20 - 3.5-10.8 HG2 LYS 31 - HB3 LYS 26 far 10 100 10 - 3.1-12.9 HG13 ILE 32 - HB3 LYS 31 far 6 63 10 - 5.0-7.3 HG2 LYS 26 - HB3 LYS 24 far 3 67 5 - 4.7-10.8 HG2 LYS 26 - HB3 LYS 31 far 0 68 0 - 5.2-13.4 HG13 ILE 32 - HB3 LYS 19 far 0 59 0 - 5.4-19.7 HG2 LYS 31 - HB3 LYS 19 far 0 98 0 - 5.8-17.9 HG13 ILE 32 - HB2 LYS 36 far 0 47 0 - 6.1-8.9 HG3 LYS 24 - HB3 LYS 31 far 0 98 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 85 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 95 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 97 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 51 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 84 0 - 7.5-15.4 HG2 LYS 26 - HB3 LYS 19 far 0 65 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 85 0 - 7.8-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 62 0 - 8.3-19.3 HG3 LYS 19 - HB3 LYS 26 far 0 83 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 100 0 - 8.7-13.8 QB ALA 92 - HB2 LYS 86 far 0 32 0 - 8.9-9.9 HG3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.1-20.8 QB ALA 52 - HB3 LYS 24 far 0 75 0 - 9.5-35.1 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 48 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 2.7-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.7-3.0 2.9=100 HG2 LYS 19 + HB3 LYS 19 OK 88 88 100 100 2.7-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 83 83 100 100 2.9-3.0 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 31 31 100 100 2.5-2.9 3.0=100 QB ALA 28 - HB3 LYS 26 far 15 100 15 - 4.3-7.7 HG3 LYS 31 - HB3 LYS 26 far 10 100 10 - 3.9-13.1 HG3 LYS 26 - HB3 LYS 24 far 10 99 10 - 3.4-9.5 QB ALA 28 - HB3 LYS 31 far 5 100 5 - 4.6-8.2 QB ALA 16 - HB3 LYS 31 far 5 99 5 - 3.9-19.7 QB ALA 28 - HB3 LYS 19 far 5 98 5 - 2.9-15.3 QB ALA 29 - HB2 LYS 36 far 4 82 5 - 4.6-10.7 QB ALA 34 - HB3 LYS 19 far 3 57 5 - 2.0-20.6 QB ALA 28 - HB3 LYS 24 far 0 100 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 97 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 98 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 65 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 98 0 - 5.1-18.9 QB ALA 34 - HB3 LYS 26 far 0 59 0 - 5.4-16.7 QB ALA 34 - HB2 LYS 36 far 0 44 0 - 5.5-6.5 QB ALA 29 - HB3 LYS 26 far 0 98 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 100 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 95 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 98 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 100 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 99 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 99 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.3-20.4 QB ALA 34 - HB3 LYS 24 far 0 59 0 - 7.6-24.6 HG2 LYS 24 - HB3 LYS 26 far 0 97 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 92 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 98 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 83 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 91 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 85 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 84 0 - 8.6-19.4 QB ALA 34 - HB3 LYS 31 far 0 60 0 - 8.8-11.6 HG2 LYS 19 - HB3 LYS 26 far 0 90 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 99 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 68 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 85 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 100 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 99 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 77 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 67 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.9-14.8 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 48 assignments used, quality = 1.00: * HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 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 99 99 100 100 2.3-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.2-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.4-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 83 83 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 82 82 100 100 2.0-3.6 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.6-3.7 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.6-4.0 3.5=100 HD2 LYS 26 - HB3 LYS 31 far 15 100 15 - 3.5-15.2 HD3 LYS 31 - HB3 LYS 26 far 15 99 15 - 5.0-13.1 HD3 LYS 26 - HB3 LYS 31 far 15 99 15 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.8-11.2 HD2 LYS 31 - HB3 LYS 26 far 5 100 5 - 5.2-13.2 HD2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.8-18.1 HD3 LYS 31 - HB3 LYS 19 far 5 98 5 - 4.3-19.1 HD2 LYS 31 - HB3 LYS 19 far 0 98 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 46 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 57 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 85 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 99 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 84 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 82 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 84 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 50 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 97 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 98 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 98 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 99 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 98 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.8-19.8 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 48 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-4.0 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 2.2-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 94 94 100 100 2.4-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 84 84 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 84 84 100 100 2.0-3.6 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.6-3.7 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 59 59 100 100 2.6-4.0 3.5=100 HD2 LYS 26 - HB3 LYS 31 far 15 100 15 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 15 100 15 - 3.8-14.8 HD3 LYS 31 - HB3 LYS 26 far 15 100 15 - 5.0-13.1 HD2 LYS 26 - HB3 LYS 24 far 10 100 10 - 2.5-11.6 HD3 LYS 26 - HB3 LYS 24 far 10 99 10 - 2.8-11.2 HD2 LYS 31 - HB3 LYS 26 far 5 99 5 - 5.2-13.2 HD3 LYS 31 - HB3 LYS 19 far 5 98 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 98 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 42 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 97 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 59 0 - 6.4-7.0 HD2 LYS 31 - HB2 LYS 36 far 0 84 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 85 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 84 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 85 0 - 7.3-13.1 HG3 ARG 84 - HB2 LYS 86 far 0 46 0 - 7.4-10.0 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 98 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 99 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 98 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 98 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 98 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 98 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 98 0 - 9.8-19.8 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 45 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.5 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.5-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.6-5.3 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 85 85 100 100 3.2-4.6 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 19 97 20 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 15 100 15 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 15 98 15 - 6.1-19.6 HE3 LYS 26 - HB3 LYS 31 far 10 100 10 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 10 100 10 - 6.0-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 97 10 - 6.3-15.6 HE3 LYS 24 - HB3 LYS 19 far 9 92 10 - 5.9-15.4 HE3 LYS 31 - HB2 LYS 36 far 8 83 10 - 6.7-12.2 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.4-20.0 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.0-21.5 HE2 LYS 19 - HB3 LYS 24 far 5 100 5 - 7.3-17.6 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.6-21.1 HE2 LYS 26 - HB3 LYS 19 far 5 98 5 - 6.7-19.5 HE3 LYS 24 - HB3 LYS 31 far 5 96 5 - 7.5-21.6 HE3 LYS 24 - HB3 LYS 26 far 5 94 5 - 7.0-14.0 HE2 LYS 26 - HB2 LYS 36 far 4 85 5 - 6.2-21.1 HE2 LYS 31 - HB2 LYS 36 far 4 85 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 4 84 5 - 6.2-21.3 HE2 LYS 26 - HB3 LYS 24 lone 3 100 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 100 35 9 5.9-13.4 9008/10751=3, 10766/10898=3 HE3 LYS 31 - HB3 LYS 26 lone 2 99 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 98 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 55 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 84 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 98 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 99 0 - 10.0-19.9 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 46 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.4-5.3 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.6-5.3 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.9-5.2 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.4-4.7 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 97 97 100 100 3.5-5.4 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 82 82 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 82 82 100 100 3.2-4.6 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 1.8-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 poor 20 98 20 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 15 97 15 - 2.2-9.7 HE2 LYS 31 - HB3 LYS 19 far 15 97 15 - 6.1-19.6 HE2 LYS 26 - HB3 LYS 31 far 10 99 10 - 6.0-15.4 HE2 LYS 24 - HB3 LYS 19 far 10 98 10 - 6.3-15.6 HE3 LYS 26 - HB3 LYS 31 far 10 98 10 - 4.8-15.1 HE3 LYS 24 - HB3 LYS 19 far 10 97 10 - 5.9-15.4 HE3 LYS 31 - HB2 LYS 36 far 8 85 10 - 6.7-12.2 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.4-20.0 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.6-21.1 HE2 LYS 19 - HB3 LYS 24 far 5 100 5 - 7.3-17.6 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.0-21.5 HE3 LYS 24 - HB3 LYS 31 far 5 99 5 - 7.5-21.6 HE3 LYS 24 - HB3 LYS 26 far 5 99 5 - 7.0-14.0 HE2 LYS 26 - HB3 LYS 19 far 5 97 5 - 6.7-19.5 HE2 LYS 26 - HB2 LYS 36 far 4 83 5 - 6.2-21.1 HE2 LYS 31 - HB2 LYS 36 far 4 83 5 - 7.1-11.6 HE3 LYS 26 - HB2 LYS 36 far 4 80 5 - 6.2-21.3 HE2 LYS 26 - HB3 LYS 24 lone 3 99 25 13 2.3-11.2 HE2 LYS 31 - HB3 LYS 26 lone 3 99 35 9 5.9-13.4 9008/10751=3, 10766/10898=3 HE3 LYS 31 - HB3 LYS 26 lone 3 100 30 8 6.8-13.2 9008/10751=3, 10840/10898=3 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 95 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 68 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 84 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.3-19.5 HD2 ARG 135 - HB2 LYS 86 far 0 32 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 26 far 0 98 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 97 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 98 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 99 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 822 from aliabs.peaks (4.27, 1.46, 24.57 ppm; 3.72 A): 3 out of 41 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-4.2 3.8=93, 793/1.8=25...(22) HA LYS 19 + HG3 LYS 19 OK 60 61 100 99 3.8-4.2 4.2=72, 3.0/6152=32...(39) HA LYS 36 + HG3 LYS 36 OK 57 58 100 99 3.5-3.8 4.1=73, 6403/6407=43...(27) HA LEU 22 - HG3 LYS 24 poor 17 92 35 53 3.8-7.1 ~1309=12, 6212/6223=9...(12) HA ALA 16 - HG3 LYS 19 far 9 59 15 - 2.8-10.1 HA LYS 19 - HG2 LYS 31 far 5 100 5 - 3.6-20.1 HA ARG 23 - HG2 LYS 31 far 5 99 5 - 4.5-18.5 HA THR 18 - HG3 LYS 19 far 3 55 5 - 4.2-6.9 HA LEU 22 - HG2 LYS 31 far 0 100 0 - 5.0-23.5 HA ARG 23 - HG3 LYS 24 far 0 90 0 - 5.0-7.0 HA LYS 26 - HG2 LYS 31 far 0 100 0 - 5.2-13.1 HA ALA 16 - HG2 LYS 31 far 0 99 0 - 5.3-24.4 HA THR 18 - HG2 LYS 31 far 0 97 0 - 5.4-24.2 HA LYS 19 - HG3 LYS 24 far 0 93 0 - 5.7-13.9 HA THR 25 - HG3 LYS 24 far 0 73 0 - 5.9-7.1 HA ALA 15 - HG3 LYS 19 far 0 57 0 - 6.2-12.6 HA GLN 27 - HG2 LYS 31 far 0 76 0 - 6.4-11.7 HA ALA 28 - HG3 LYS 24 far 0 59 0 - 6.5-15.3 HA THR 25 - HG2 LYS 31 far 0 83 0 - 6.5-16.4 HA SER 74 - HG3 LYS 19 far 0 47 0 - 6.7-32.9 HA ALA 15 - HG2 LYS 31 far 0 98 0 - 6.7-26.2 HA ALA 12 - HG3 LYS 19 far 0 51 0 - 6.8-21.3 HA ALA 21 - HG3 LYS 19 far 0 36 0 - 6.8-8.2 HA ALA 21 - HG2 LYS 31 far 0 71 0 - 6.8-23.7 HA THR 18 - HG3 LYS 24 far 0 87 0 - 6.9-13.6 HA ARG 23 - HG3 LYS 19 far 0 58 0 - 7.0-10.2 HA GLN 61 - HG3 LYS 24 far 0 90 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 93 0 - 7.1-9.9 HA ALA 21 - HG3 LYS 24 far 0 61 0 - 7.4-9.5 HA ALA 28 - HG3 LYS 19 far 0 34 0 - 7.5-18.7 HA LYS 31 - HG3 LYS 36 far 0 67 0 - 7.6-11.7 HA LYS 31 - HG3 LYS 24 far 0 93 0 - 7.8-22.0 HA GLN 27 - HG3 LYS 19 far 0 39 0 - 7.8-18.4 HA LYS 26 - HG3 LYS 19 far 0 61 0 - 8.0-16.1 HA ALA 28 - HG2 LYS 31 far 0 68 0 - 8.1-11.6 HA LYS 36 - HG2 LYS 31 far 0 93 0 - 8.1-14.6 HA THR 25 - HG3 LYS 36 far 0 49 0 - 8.7-21.0 HA ALA 110 - HG3 LYS 24 far 0 83 0 - 9.0-50.5 HA LEU 22 - HG3 LYS 19 far 0 60 0 - 9.1-10.3 HA LYS 31 - HG3 LYS 19 far 0 61 0 - 9.3-20.3 HA GLN 27 - HG3 LYS 24 far 0 66 0 - 9.7-13.5 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 17 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.7-3.0 3.0=100 HB2 LYS 26 - HG2 LYS 31 far 10 100 10 - 3.3-13.1 HB2 ARG 23 - HG2 LYS 31 far 0 98 0 - 5.0-19.9 HB2 LYS 26 - HG3 LYS 24 far 0 93 0 - 5.4-11.3 HB2 ARG 23 - HG3 LYS 19 far 0 57 0 - 5.6-9.7 HB2 LYS 19 - HG2 LYS 31 far 0 100 0 - 5.8-19.4 HB2 ARG 23 - HG3 LYS 24 far 0 90 0 - 6.2-8.2 HB2 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.3-13.4 HB2 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.3-19.0 HB2 LYS 19 - HG3 LYS 24 far 0 93 0 - 7.4-15.0 HB2 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.7-19.4 HB2 LYS 26 - HG3 LYS 19 far 0 61 0 - 7.7-18.0 HB2 LYS 26 - HG3 LYS 36 far 0 67 0 - 8.4-20.7 HB2 LYS 31 - HG3 LYS 19 far 0 61 0 - 8.6-17.4 HB2 LYS 24 - HG3 LYS 19 far 0 61 0 - 8.9-14.4 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 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-2.8 2.9=100 HB2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 2.6-2.8 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 60 60 100 100 2.2-2.5 3.0=100 HB3 LYS 26 - HG2 LYS 31 far 10 100 10 - 3.1-12.9 HB3 ARG 23 - HG2 LYS 31 far 5 99 5 - 4.3-19.5 HB ILE 32 - HG3 LYS 36 far 0 67 0 - 5.4-9.2 HB3 ARG 23 - HG3 LYS 24 far 0 92 0 - 5.8-7.9 HB3 LYS 19 - HG2 LYS 31 far 0 100 0 - 5.8-17.9 HB ILE 32 - HG3 LYS 19 far 0 61 0 - 6.2-22.5 HB3 LYS 31 - HG3 LYS 24 far 0 93 0 - 6.4-20.1 HB3 ARG 23 - HG3 LYS 19 far 0 59 0 - 6.5-10.5 HB ILE 32 - HG2 LYS 31 far 0 100 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 100 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 92 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 93 0 - 6.8-11.9 HB3 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.2-20.3 HB3 LYS 24 - HG3 LYS 19 far 0 61 0 - 7.5-15.4 HB3 LYS 31 - HG3 LYS 19 far 0 61 0 - 7.8-18.0 HB3 LYS 26 - HG3 LYS 19 far 0 61 0 - 8.6-17.8 HB3 LYS 31 - HG3 LYS 36 far 0 67 0 - 8.7-13.8 HB3 LYS 26 - HG3 LYS 36 far 0 67 0 - 9.1-20.8 Violated in 0 structures by 0.00 A. Peak 825 from aliabs.peaks (1.46, 1.46, 24.57 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 HG3 LYS 24 + HG3 LYS 24 OK 90 90 - 100 HG3 LYS 36 + HG3 LYS 36 OK 67 67 - 100 HG3 LYS 19 + HG3 LYS 19 OK 45 45 - 100 Peak 826 from aliabs.peaks (1.39, 1.46, 24.57 ppm; 2.50 A): 4 out of 38 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 16 - HG2 LYS 31 far 5 99 5 - 2.7-21.2 QB ALA 34 - HG3 LYS 19 far 0 30 0 - 3.6-22.1 QB ALA 16 - HG3 LYS 19 far 0 59 0 - 3.7-9.6 QB ALA 28 - HG3 LYS 19 far 0 61 0 - 4.5-15.9 QB ALA 15 - HG3 LYS 19 far 0 60 0 - 4.7-9.9 HG3 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 100 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 93 0 - 5.2-11.1 QB ALA 12 - HG3 LYS 19 far 0 34 0 - 5.2-17.0 QB ALA 28 - HG3 LYS 24 far 0 93 0 - 5.3-14.6 QB ALA 29 - HG3 LYS 36 far 0 65 0 - 5.8-12.8 QB ALA 34 - HG3 LYS 36 far 0 33 0 - 5.8-7.8 HG2 LYS 24 - HG2 LYS 31 far 0 98 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 100 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 92 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 99 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 19 far 0 59 0 - 6.6-17.8 QB ALA 29 - HG3 LYS 24 far 0 91 0 - 7.1-15.8 QB ALA 34 - HG3 LYS 24 far 0 51 0 - 7.3-25.7 HG3 LYS 26 - HG3 LYS 36 far 0 66 0 - 7.5-21.1 HG2 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.6-15.4 QB ALA 34 - HG2 LYS 31 far 0 60 0 - 7.9-11.4 HG3 LYS 31 - HG3 LYS 19 far 0 61 0 - 8.0-19.1 HG2 LYS 24 - HG3 LYS 19 far 0 57 0 - 8.1-13.1 HG3 LYS 31 - HG3 LYS 24 far 0 93 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 93 0 - 8.1-44.1 HG3 LYS 31 - HG3 LYS 36 far 0 67 0 - 8.4-13.8 HB2 LEU 42 - HG3 LYS 36 far 0 60 0 - 8.7-12.2 HG3 LYS 26 - HG3 LYS 19 far 0 60 0 - 8.8-18.2 HG2 LYS 19 - HG3 LYS 24 far 0 82 0 - 8.9-13.9 QB ALA 16 - HG3 LYS 24 far 0 92 0 - 9.6-16.6 QB ALA 28 - HG3 LYS 36 far 0 67 0 - 9.7-14.3 QB ALA 12 - HG3 LYS 24 far 0 59 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 93 0 - 9.9-18.6 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 30 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.3-2.9 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 60 60 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 59 59 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 5 99 5 - 3.8-15.2 HD2 LYS 26 - HG3 LYS 24 far 5 93 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 5 91 5 - 3.7-12.6 HD2 LYS 26 - HG2 LYS 31 far 0 100 0 - 4.4-16.1 HD2 LYS 26 - HG3 LYS 36 far 0 66 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 19 far 0 59 0 - 6.0-20.3 HD3 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 60 0 - 6.4-20.6 HD3 LYS 26 - HG3 LYS 36 far 0 65 0 - 6.6-22.6 HD2 LYS 19 - HG2 LYS 31 far 0 100 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.0-13.1 HD2 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.0-14.5 HD3 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.2-14.6 HD3 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.5-22.9 HD2 LYS 24 - HG2 LYS 31 far 0 99 0 - 7.5-22.6 HD2 LYS 31 - HG3 LYS 19 far 0 61 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.9-22.8 HD3 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 99 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 99 0 - 8.4-14.7 HD2 LYS 19 - HG3 LYS 24 far 0 92 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 59 0 - 9.9-15.8 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 30 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.6-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 2.3-2.9 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 58 58 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 56 56 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 5 100 5 - 3.8-15.2 HD2 LYS 26 - HG3 LYS 24 far 5 93 5 - 3.9-13.0 HD3 LYS 26 - HG3 LYS 24 far 5 93 5 - 3.7-12.6 HD2 LYS 26 - HG2 LYS 31 far 0 100 0 - 4.4-16.1 HD2 LYS 26 - HG3 LYS 36 far 0 67 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 19 far 0 60 0 - 6.0-20.3 HD3 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.2-18.7 HD2 LYS 26 - HG3 LYS 19 far 0 61 0 - 6.4-20.6 HD3 LYS 26 - HG3 LYS 36 far 0 66 0 - 6.6-22.6 HD2 LYS 19 - HG2 LYS 31 far 0 99 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.0-13.1 HD2 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.0-14.5 HD3 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.2-14.6 HD3 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.5-22.9 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.5-22.6 HD2 LYS 31 - HG3 LYS 19 far 0 61 0 - 7.7-19.0 HD2 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.9-22.8 HD3 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 100 0 - 8.4-14.7 HD2 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.5-15.6 HD2 LYS 24 - HG3 LYS 19 far 0 61 0 - 9.9-15.8 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 32 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.5-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-4.2 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-3.7 3.8=100 HE3 LYS 26 - HG2 LYS 31 far 5 100 5 - 4.3-16.8 HE2 LYS 26 - HG3 LYS 24 far 5 93 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 5 93 5 - 4.4-11.8 HE2 LYS 31 - HG3 LYS 24 far 0 93 0 - 5.6-22.4 HE3 LYS 26 - HG3 LYS 36 far 0 67 0 - 5.6-23.2 HE3 LYS 31 - HG3 LYS 24 far 0 92 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 100 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 36 far 0 67 0 - 6.2-22.9 HE2 LYS 26 - HG3 LYS 19 far 0 61 0 - 6.4-20.1 HE3 LYS 31 - HG3 LYS 19 far 0 59 0 - 6.7-20.3 HB2 CYS 45 - HG3 LYS 36 far 0 42 0 - 7.0-11.9 HE2 LYS 24 - HG2 LYS 31 far 0 99 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 61 0 - 7.1-19.3 HE3 LYS 31 - HG3 LYS 36 far 0 65 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.2-12.8 HE3 LYS 24 - HG2 LYS 31 far 0 96 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 100 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 59 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 61 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 54 0 - 8.0-16.3 HE2 LYS 19 - HG3 LYS 24 far 0 93 0 - 8.5-16.5 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 32 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.5-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-4.2 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-3.7 3.8=100 HE3 LYS 26 - HG2 LYS 31 far 5 98 5 - 4.3-16.8 HE2 LYS 26 - HG3 LYS 24 far 5 92 5 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 4 90 5 - 4.4-11.8 HE2 LYS 31 - HG3 LYS 24 far 0 92 0 - 5.6-22.4 HE3 LYS 26 - HG3 LYS 36 far 0 63 0 - 5.6-23.2 HE3 LYS 31 - HG3 LYS 24 far 0 93 0 - 5.9-22.5 HE2 LYS 26 - HG2 LYS 31 far 0 99 0 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 36 far 0 65 0 - 6.2-22.9 HE2 LYS 26 - HG3 LYS 19 far 0 59 0 - 6.4-20.1 HE3 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.7-20.3 HB2 CYS 45 - HG3 LYS 36 far 0 52 0 - 7.0-11.9 HE2 LYS 24 - HG2 LYS 31 far 0 100 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.0-20.9 HE2 LYS 31 - HG3 LYS 19 far 0 59 0 - 7.1-19.3 HE3 LYS 31 - HG3 LYS 36 far 0 67 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 65 0 - 7.2-12.8 HE3 LYS 24 - HG2 LYS 31 far 0 99 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 100 0 - 8.0-21.1 HE2 LYS 24 - HG3 LYS 19 far 0 61 0 - 8.0-16.4 HE3 LYS 26 - HG3 LYS 19 far 0 57 0 - 8.0-18.7 HE3 LYS 24 - HG3 LYS 19 far 0 59 0 - 8.0-16.3 HE2 LYS 19 - HG3 LYS 24 far 0 93 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 833 from aliabs.peaks (4.27, 1.39, 24.57 ppm; 3.59 A): 7 out of 51 assignments used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 99 100 100 99 2.1-3.7 3.8=84, 822/1.8=29...(22) HA LYS 26 + HG3 LYS 26 OK 99 99 100 99 2.5-3.8 4.0=70, 2.9/6253=56...(31) HA LYS 19 + HG2 LYS 19 OK 76 77 100 99 3.5-3.7 4.2=64, 11764/10714=39...(39) HA LYS 36 + HG2 LYS 36 OK 55 56 100 99 2.9-3.8 4.1=66, 3.0/6394=54...(29) HA THR 25 + HG3 LYS 26 OK 46 80 60 96 3.5-5.3 11150=72, 3.6/6253=48...(15) HA LEU 22 + HG2 LYS 24 OK 35 92 65 58 2.6-6.1 409/10703=20...(11) HA ARG 23 + HG2 LYS 24 OK 21 90 30 77 3.7-6.5 424/6222=63, 2.9/832=13...(9) HA ALA 16 - HG2 LYS 19 poor 15 75 20 - 2.8-8.6 HA ARG 23 - HG3 LYS 26 far 10 97 10 - 2.5-9.1 HA LYS 19 - HG3 LYS 31 far 5 100 5 - 3.8-19.8 HA LYS 19 - HG2 LYS 24 far 5 93 5 - 4.2-13.3 HA GLN 27 - HG3 LYS 26 far 4 74 5 - 4.5-6.6 HA THR 18 - HG2 LYS 19 far 4 70 5 - 3.3-5.3 HA ALA 28 - HG3 LYS 26 far 3 66 5 - 4.2-8.9 HA THR 25 - HG2 LYS 24 far 0 73 0 - 4.6-6.6 HA LYS 26 - HG3 LYS 31 far 0 100 0 - 4.7-12.7 HA THR 25 - HG3 LYS 31 far 0 83 0 - 5.5-16.5 HA THR 18 - HG3 LYS 31 far 0 97 0 - 5.6-23.8 HA ALA 21 - HG2 LYS 19 far 0 47 0 - 6.0-8.5 HA THR 18 - HG2 LYS 24 far 0 87 0 - 6.1-13.0 HA ALA 21 - HG2 LYS 24 far 0 61 0 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 0 99 0 - 6.1-18.5 HA ALA 15 - HG2 LYS 19 far 0 72 0 - 6.3-11.0 HA LYS 31 - HG3 LYS 26 far 0 99 0 - 6.6-15.0 HA LEU 22 - HG3 LYS 31 far 0 100 0 - 6.6-23.6 HA ALA 12 - HG2 LYS 19 far 0 65 0 - 6.7-20.0 HA GLN 27 - HG3 LYS 31 far 0 76 0 - 6.9-12.2 HA LYS 31 - HG2 LYS 24 far 0 93 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 99 0 - 6.9-24.0 HA ALA 28 - HG2 LYS 24 far 0 59 0 - 7.0-14.6 HA ARG 23 - HG2 LYS 19 far 0 73 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 93 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 98 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 60 0 - 7.6-32.7 HA ALA 15 - HG3 LYS 31 far 0 98 0 - 7.7-25.1 HA ALA 28 - HG2 LYS 19 far 0 45 0 - 7.7-18.4 HA ALA 28 - HG3 LYS 31 far 0 68 0 - 8.0-12.0 HA GLN 61 - HG2 LYS 24 far 0 90 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 71 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 99 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 75 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 65 0 - 8.4-12.7 HA GLN 27 - HG2 LYS 19 far 0 51 0 - 8.4-18.4 HA ALA 21 - HG3 LYS 26 far 0 69 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 76 0 - 8.6-16.3 HA GLN 27 - HG2 LYS 24 far 0 66 0 - 8.6-13.1 HA LYS 36 - HG3 LYS 26 far 0 91 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 96 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 77 0 - 9.1-20.6 HA LYS 36 - HG3 LYS 31 far 0 93 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 47 0 - 9.9-21.7 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 23 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.5-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.3-2.9 2.9=100 HB2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.4-2.9 3.0=100 HB2 LYS 26 - HG3 LYS 31 far 10 100 10 - 4.2-14.0 HB2 ARG 23 - HG3 LYS 26 far 10 96 10 - 4.1-11.6 HB2 LYS 24 - HG3 LYS 26 far 5 99 5 - 3.5-10.3 HB2 ARG 23 - HG2 LYS 24 far 4 90 5 - 4.5-7.5 HB2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.0-12.1 HB2 ARG 23 - HG2 LYS 19 far 0 72 0 - 5.5-9.9 HB2 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.0-18.8 HB2 LYS 26 - HG2 LYS 24 far 0 93 0 - 6.0-10.8 HB2 ARG 23 - HG3 LYS 31 far 0 98 0 - 6.0-20.0 HB2 LYS 31 - HG2 LYS 24 far 0 93 0 - 6.3-18.4 HB2 LYS 19 - HG2 LYS 24 far 0 93 0 - 6.4-14.1 HB2 LYS 24 - HG3 LYS 31 far 0 100 0 - 6.9-19.1 HB2 LYS 26 - HG2 LYS 19 far 0 76 0 - 8.3-18.2 HB2 LYS 31 - HG2 LYS 36 far 0 65 0 - 8.6-14.2 HB2 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.6-14.0 HB2 LYS 31 - HG2 LYS 19 far 0 77 0 - 8.7-17.7 HB2 LYS 39 - HG2 LYS 36 far 0 48 0 - 9.1-13.2 HB2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.4-18.8 HB2 LYS 26 - HG2 LYS 36 far 0 65 0 - 9.9-20.9 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 2.7-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.7-3.0 2.9=100 HB3 LYS 19 + HG2 LYS 19 OK 75 75 100 100 2.7-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.9-3.0 3.0=100 HB3 LYS 24 - HG3 LYS 26 far 10 99 10 - 3.4-9.5 HB3 ARG 23 - HG3 LYS 26 far 10 98 10 - 2.4-11.0 HB3 LYS 26 - HG3 LYS 31 far 5 100 5 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 0 100 0 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 31 far 0 99 0 - 4.9-19.7 HB ILE 32 - HG3 LYS 26 far 0 99 0 - 5.1-14.6 HB3 LYS 31 - HG2 LYS 24 far 0 93 0 - 5.1-18.9 HB3 ARG 23 - HG2 LYS 24 far 0 92 0 - 5.5-7.1 HB3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 92 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 75 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 65 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 77 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 93 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 77 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 98 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 76 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 98 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 76 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 93 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 50 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 65 0 - 9.9-14.8 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 27 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 58 58 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 6 61 10 - 2.2-12.4 HG13 ILE 32 - HG3 LYS 31 far 3 63 5 - 3.1-8.2 HG2 LYS 26 - HG3 LYS 31 far 0 68 0 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 96 0 - 5.2-11.1 HG2 LYS 31 - HG2 LYS 24 far 0 93 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.4-19.9 HG13 ILE 32 - HG2 LYS 19 far 0 41 0 - 7.2-21.2 HG2 LYS 26 - HG2 LYS 24 far 0 59 0 - 7.3-11.8 HG13 ILE 32 - HG2 LYS 36 far 0 34 0 - 7.4-11.7 HG3 LYS 36 - HG3 LYS 26 far 0 99 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 65 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 85 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 75 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 45 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 98 0 - 8.1-21.8 HG3 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.4-13.8 HG13 ILE 32 - HG2 LYS 24 far 0 54 0 - 8.4-19.9 HG3 LYS 19 - HG3 LYS 26 far 0 83 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 72 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 37 0 - 9.0-22.2 QB ALA 52 - HG3 LYS 26 far 0 74 0 - 9.3-34.6 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 43 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 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 75 75 100 100 2.4-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 99 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 91 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 76 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 93 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 93 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 76 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 74 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 98 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 64 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 92 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 62 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 98 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 99 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 65 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 64 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 75 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 91 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 58 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 40 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 76 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 99 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 839 from aliabs.peaks (1.66, 1.39, 24.57 ppm; 3.36 A): 10 out of 43 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 2.4-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 73 73 100 100 2.4-3.0 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 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 4.8-16.4 HD2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.0-12.5 HD3 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.1-12.5 HD3 LYS 31 - HG2 LYS 19 far 0 77 0 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 93 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 98 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 93 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 76 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 65 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 76 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 90 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 64 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 99 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 97 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 64 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 65 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 76 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 89 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 54 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 96 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 45 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 75 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 100 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 840 from aliabs.peaks (2.96, 1.39, 24.57 ppm; 4.08 A): 10 out of 42 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.0-4.1 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.1-4.2 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 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.7-4.1 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.2-4.0 4.0=100 HE3 LYS 24 - HG3 LYS 26 far 5 94 5 - 4.3-13.1 HE2 LYS 31 - HG2 LYS 24 far 5 93 5 - 4.0-21.2 HE2 LYS 26 - HG2 LYS 24 far 5 93 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 5 93 5 - 4.7-11.5 HE3 LYS 31 - HG2 LYS 24 far 5 92 5 - 4.3-21.5 HE3 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 99 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 40 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 75 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 75 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 64 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 96 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 65 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 69 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 77 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 76 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 93 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 63 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 65 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 100 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 30 0 - 9.9-17.4 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 42 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-3.9 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.0-4.1 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.1-4.2 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 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.7-4.1 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.2-4.0 4.0=100 HE3 LYS 24 - HG3 LYS 26 far 5 98 5 - 4.3-13.1 HE3 LYS 31 - HG2 LYS 24 far 5 93 5 - 4.3-21.5 HE2 LYS 31 - HG2 LYS 24 far 5 92 5 - 4.0-21.2 HE2 LYS 26 - HG2 LYS 24 far 5 92 5 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 4 90 5 - 4.7-11.5 HE3 LYS 26 - HG3 LYS 31 far 0 98 0 - 5.2-15.5 HE2 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.7-14.7 HE2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.9-12.5 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.2-20.2 HE2 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.5-16.9 HE2 LYS 24 - HG3 LYS 31 far 0 100 0 - 6.5-22.2 HE3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.6-14.4 HB2 CYS 45 - HG2 LYS 36 far 0 50 0 - 6.7-11.9 HE2 LYS 26 - HG2 LYS 19 far 0 75 0 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 0 77 0 - 7.1-17.3 HE3 LYS 26 - HG2 LYS 36 far 0 61 0 - 7.1-23.8 HE2 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.3-20.3 HE3 LYS 24 - HG3 LYS 31 far 0 99 0 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 36 far 0 63 0 - 7.5-23.6 HE3 LYS 24 - HG2 LYS 19 far 0 75 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 75 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 72 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 93 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 65 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 63 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.8-21.9 HE3 LYS 39 - HG2 LYS 36 far 0 40 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 844 from aliabs.peaks (4.27, 1.65, 28.90 ppm; 6.80 A): 21 out of 112 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=100 HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.8 5.2=100 HA LYS 26 + HD2 LYS 26 OK 99 99 100 100 3.8-5.5 5.0=100 HA LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.5-5.2 5.0=100 HA LYS 19 + HD2 LYS 19 OK 84 84 100 100 3.6-5.5 5.2=100 HA LYS 36 + HD3 LYS 36 OK 82 82 100 100 4.1-5.2 5.3=100 HA LYS 19 + HD3 LYS 19 OK 81 81 100 100 3.9-5.5 5.2=100 HA ARG 23 + HD3 LYS 24 OK 81 92 90 98 3.7-7.9 424/5.9=89, ~832=28...(19) HA THR 25 + HD2 LYS 26 OK 81 81 100 100 3.0-7.4 11150/2.9=75, 582/5.7=69...(15) HA LYS 36 + HD2 LYS 36 OK 80 80 100 100 4.2-5.0 5.3=100 HA THR 18 + HD2 LYS 19 OK 78 78 100 100 5.2-7.4 3.2/10696=99, 226/6.2=80...(15) HA THR 25 + HD3 LYS 26 OK 77 77 100 100 4.3-7.0 11150/2.9=75, 582/5.7=69...(17) HA LEU 22 + HD2 LYS 24 OK 75 91 95 88 2.0-8.9 ~1309=30, 11967/3.0=27...(13) HA THR 25 + HD3 LYS 24 OK 74 75 100 100 3.4-7.5 ~6234=83, ~6235=68...(18) HA THR 18 + HD3 LYS 19 OK 71 75 95 100 5.1-7.8 ~10696=95, 226/6.2=80...(15) HA GLN 27 + HD2 LYS 26 OK 70 74 95 100 3.8-7.8 ~6265=83, ~6264=65...(22) HA ARG 23 + HD2 LYS 24 OK 69 89 80 98 4.8-8.7 424/5.9=89, ~832=28...(22) HA LEU 22 + HD3 LYS 24 OK 68 94 85 85 1.9-8.8 ~1309=30, 11967/3.0=27...(13) HA GLN 27 + HD3 LYS 26 OK 67 70 95 100 5.5-7.8 ~6265=83, ~6264=65...(22) HA THR 25 + HD2 LYS 24 OK 42 71 60 100 5.2-8.2 ~6234=83, ~6235=68...(17) HA ALA 28 + HD2 LYS 26 OK 30 66 65 69 3.8-10.7 ~10771=42, 3.0/10771=39...(7) HA LYS 31 - HD3 LYS 26 poor 19 97 20 - 5.0-16.1 HA ARG 23 - HD3 LYS 26 poor 19 94 20 - 3.6-11.3 HA ALA 28 - HD3 LYS 26 poor 18 63 45 65 4.4-10.1 3.0/10771=41, ~10771=35...(4) HA ALA 21 - HD3 LYS 24 poor 16 63 25 - 5.9-11.8 HA GLN 27 - HD2 LYS 31 poor 15 76 20 - 5.4-13.0 HA GLN 27 - HD3 LYS 31 poor 15 75 20 - 4.6-13.2 HA LYS 26 - HD3 LYS 31 far 15 100 15 - 6.9-14.5 HA ARG 23 - HD2 LYS 31 far 15 99 15 - 6.6-18.6 HA ARG 23 - HD3 LYS 31 far 15 98 15 - 6.1-18.9 HA ARG 23 - HD2 LYS 26 far 15 97 15 - 2.1-11.5 HA LYS 31 - HD2 LYS 26 poor 11 99 30 38 3.8-16.5 10816/10842=13...(7) HA LYS 19 - HD2 LYS 31 far 10 100 10 - 3.8-21.0 HA LYS 26 - HD2 LYS 31 far 10 100 10 - 7.2-14.5 HA LYS 19 - HD3 LYS 24 far 10 95 10 - 6.6-15.8 HA LYS 26 - HD3 LYS 24 far 9 95 10 - 7.3-10.3 HA LYS 19 - HD2 LYS 24 far 9 92 10 - 6.1-16.0 HA LYS 31 - HD2 LYS 36 far 9 90 10 - 7.2-10.8 HA THR 25 - HD2 LYS 31 far 8 83 10 - 6.8-18.4 HA ALA 16 - HD2 LYS 19 lone 8 82 75 12 3.4-10.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 7 79 75 11 2.1-10.6 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 2.1-21.0 HA LEU 22 - HD2 LYS 31 far 5 100 5 - 6.7-22.4 HA ALA 16 - HD2 LYS 31 far 5 99 5 - 5.6-24.7 HA LEU 22 - HD3 LYS 31 far 5 99 5 - 5.1-21.9 HA LEU 22 - HD2 LYS 26 far 5 99 5 - 6.5-15.3 HA ALA 16 - HD3 LYS 31 far 5 99 5 - 7.3-24.5 HA ALA 15 - HD2 LYS 31 far 5 98 5 - 5.8-26.3 HA ALA 15 - HD3 LYS 31 far 5 97 5 - 7.4-27.2 HA GLN 61 - HD2 LYS 26 far 5 97 5 - 7.0-40.9 HA THR 18 - HD2 LYS 31 far 5 97 5 - 7.4-23.7 HA LEU 22 - HD3 LYS 26 far 5 96 5 - 7.0-14.7 HA THR 18 - HD3 LYS 31 far 5 96 5 - 6.1-23.4 HA LYS 36 - HD2 LYS 31 far 5 93 5 - 7.5-14.9 HA THR 18 - HD2 LYS 24 far 4 86 5 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 4 84 5 - 6.6-20.6 HA THR 25 - HD3 LYS 31 far 4 82 5 - 7.5-18.2 HA LYS 31 - HD3 LYS 19 far 4 81 5 - 7.5-21.8 HA ALA 12 - HD2 LYS 19 far 4 72 5 - 7.5-20.7 HA ALA 12 - HD3 LYS 19 far 3 69 5 - 6.6-19.4 HA ALA 21 - HD2 LYS 26 far 3 69 5 - 6.4-17.5 HA SER 74 - HD2 LYS 19 far 3 67 5 - 7.0-33.1 HA SER 74 - HD3 LYS 19 far 3 64 5 - 5.6-34.0 HA ALA 28 - HD3 LYS 24 far 3 60 5 - 6.2-15.8 HA GLN 27 - HD2 LYS 19 far 3 57 5 - 7.5-19.3 HA ALA 21 - HD2 LYS 19 far 3 53 5 - 7.5-10.6 HA ALA 28 - HD2 LYS 19 far 3 51 5 - 6.9-20.2 HA ALA 21 - HD3 LYS 19 far 3 50 5 - 7.7-10.6 HA ALA 15 - HD3 LYS 19 lone 1 77 50 3 4.8-12.5 HA ALA 15 - HD2 LYS 19 lone 1 80 40 3 4.4-12.5 HA ALA 21 - HD2 LYS 24 lone 1 59 35 3 5.0-11.7 HA GLN 27 - HD3 LYS 19 far 0 55 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 67 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 88 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 65 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 57 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 48 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 89 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 92 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 68 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 70 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 92 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 91 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 94 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 78 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 92 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 81 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 95 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 68 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 92 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 84 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 90 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 88 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 81 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 82 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 64 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 86 0 - 9.4-36.0 HA SER 124 - HD2 LYS 95 far 0 64 0 - 9.5-13.8 HA LYS 31 - HD3 LYS 24 far 0 95 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 94 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 99 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 92 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 100 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 71 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 92 0 - 9.7-25.1 HA ALA 28 - HD2 LYS 36 far 0 56 0 - 9.7-15.3 HA THR 25 - HD2 LYS 36 far 0 69 0 - 9.7-20.9 HA SER 124 - HD3 LYS 95 far 0 62 0 - 9.8-13.9 HA LEU 22 - HD2 LYS 19 far 0 83 0 - 9.9-12.2 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 52 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 2.0-4.0 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 97 97 100 100 1.9-3.7 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 1.9-4.1 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 3.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.6 3.9=100 HB2 LYS 24 - HD2 LYS 26 far 10 99 10 - 3.8-12.9 HB2 ARG 23 - HD3 LYS 24 far 9 91 10 - 4.6-9.3 HB2 ARG 23 - HD2 LYS 24 far 9 88 10 - 5.4-10.0 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.5-20.9 HB2 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.5-14.9 HB2 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.6-14.8 HB2 LYS 24 - HD3 LYS 26 far 5 97 5 - 3.3-12.3 HB2 ARG 23 - HD2 LYS 26 far 5 97 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 26 far 5 94 5 - 5.5-13.8 HB2 LYS 31 - HD2 LYS 26 lone 3 99 30 9 2.4-13.9 809/6348=5, 6331/6335=2 HB2 LYS 31 - HD3 LYS 26 lone 2 97 25 7 2.6-13.4 809/6348=4 HB2 ARG 23 - HD3 LYS 31 far 0 97 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 98 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 95 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 77 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 81 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 90 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 92 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 90 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 80 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 99 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 99 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 92 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 90 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 92 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 100 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.5-20.9 HB3 LEU 70 - HD2 LYS 95 far 0 59 0 - 8.5-14.1 HB2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 95 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 97 0 - 8.6-11.4 HB3 LEU 70 - HD3 LYS 95 far 0 57 0 - 8.6-14.1 HB2 LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 84 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 95 0 - 9.1-20.0 HB3 LEU 70 - HD3 LYS 24 far 0 53 0 - 9.8-36.3 HB3 LEU 70 - HD2 LYS 24 far 0 50 0 - 10.0-36.9 Violated in 0 structures by 0.00 A. Peak 846 from aliabs.peaks (1.81, 1.65, 28.90 ppm; 5.74 A): 20 out of 69 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.3-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.2-4.2 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 2.3-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.5 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.0-3.6 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.9-3.9 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 80 80 100 100 2.4-4.2 3.9=100 HB ILE 32 + HD2 LYS 31 OK 39 100 40 98 4.9-9.0 10825/3.0=29...(54) HB ILE 32 + HD3 LYS 26 OK 39 97 40 100 4.8-14.9 10833/1.8=98, ~10837=43...(37) HB ILE 32 + HD2 LYS 36 OK 38 90 55 77 4.6-8.0 6361/10855=53...(7) HB VAL 93 + HD3 LYS 95 OK 35 87 45 89 6.0-8.5 11342/5.5=39...(9) HB ILE 32 + HD2 LYS 26 OK 35 99 35 100 4.4-15.8 ~10767=66, 10833=62...(39) HB VAL 93 + HD2 LYS 95 OK 32 89 40 89 6.2-8.6 11342/5.5=39...(9) HB3 LEU 98 + HD2 LYS 95 OK 28 59 55 88 5.2-8.5 2963/5.0=43, 3.0/3178=23...(15) HB3 LEU 98 + HD3 LYS 95 OK 28 57 55 88 4.7-8.0 2963/5.0=43, 3.1/3194=23...(15) HB ILE 32 + HD3 LYS 31 OK 24 100 25 98 4.6-9.2 10825/3.0=29...(54) HB3 ARG 23 + HD3 LYS 24 OK 20 94 30 73 5.3-8.7 6221/5.9=18, ~1018=9...(26) HB3 LYS 31 - HD2 LYS 26 poor 20 99 20 - 3.5-15.2 HB3 LYS 31 - HD3 LYS 26 poor 19 97 20 - 3.8-14.8 HB3 LYS 26 - HD2 LYS 31 far 15 100 15 - 5.2-13.2 HB3 LYS 26 - HD3 LYS 31 far 15 100 15 - 5.0-13.1 HB3 ARG 23 - HD3 LYS 26 far 14 96 15 - 4.9-13.2 HB ILE 32 - HD3 LYS 36 far 14 92 15 - 5.8-9.4 HB3 LYS 24 - HD2 LYS 26 far 10 99 10 - 2.5-11.6 HB3 ARG 23 - HD2 LYS 26 far 10 98 10 - 4.3-13.4 HB3 LYS 24 - HD3 LYS 26 far 10 97 10 - 2.8-11.2 HB3 ARG 23 - HD2 LYS 24 far 9 90 10 - 6.3-9.4 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 6.0-19.2 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 6.6-12.8 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.3-19.1 HB3 ARG 23 - HD3 LYS 31 far 5 99 5 - 6.4-20.4 HB3 LYS 31 - HD2 LYS 19 far 4 84 5 - 5.8-18.1 HB3 LYS 31 - HD3 LYS 19 far 4 81 5 - 6.3-19.4 HB3 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 99 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 96 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 96 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 99 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 95 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 91 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 82 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 94 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 95 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 95 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 89 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 81 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 90 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 81 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 84 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 75 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 91 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 91 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 84 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 77 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 81 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 75 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 73 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 84 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 89 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 847 from aliabs.peaks (1.46, 1.65, 28.90 ppm; 5.64 A): 16 out of 53 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.6-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.3-2.9 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 2.3-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 63 63 100 100 2.3-2.9 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.4-3.0 3.0=100 QB ALA 92 + HD2 LYS 95 OK 51 64 80 100 3.8-6.7 9948/3.7=47, 9950/3.0=45...(22) QB ALA 92 + HD3 LYS 95 OK 44 62 70 100 3.6-6.7 9948/3.7=47, 9950/3.0=45...(22) HG13 ILE 32 + HD3 LYS 31 OK 36 62 60 96 3.4-9.5 10757/5.2=24...(51) HG13 ILE 32 + HD2 LYS 31 OK 33 63 55 96 3.7-8.9 10757/5.2=24...(49) HG13 ILE 32 + HD2 LYS 26 OK 27 61 45 100 3.0-13.6 ~10767=77, 2.9/10833=54...(53) HG13 ILE 32 + HD3 LYS 26 OK 26 58 45 100 3.5-12.7 ~10833=66, ~10837=36...(54) HG2 LYS 31 - HD3 LYS 26 poor 19 97 20 - 3.8-15.2 HG2 LYS 31 - HD2 LYS 26 far 15 99 15 - 4.4-16.1 HG3 LYS 24 - HD2 LYS 26 far 10 97 10 - 3.9-13.0 HG13 ILE 32 - HD2 LYS 36 far 8 51 15 - 5.5-10.0 HG3 LYS 36 - HD2 LYS 26 far 5 99 5 - 5.5-23.5 HG3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-12.6 HG3 LYS 19 - HD3 LYS 31 far 4 84 5 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 4 83 5 - 6.4-20.6 HG3 LYS 19 - HD3 LYS 26 far 4 79 5 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 3 68 5 - 6.1-14.1 HG2 LYS 26 - HD3 LYS 31 far 3 67 5 - 5.4-14.1 HG3 LYS 36 - HD3 LYS 26 far 0 97 0 - 6.6-22.6 HG2 LYS 26 - HD2 LYS 36 far 0 56 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 90 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 52 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 97 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 60 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 92 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 57 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 98 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 57 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 95 0 - 7.9-22.0 QB ALA 52 - HD2 LYS 26 far 0 74 0 - 8.0-36.3 HG13 ILE 32 - HD3 LYS 24 far 0 55 0 - 8.1-21.0 QB ALA 52 - HD3 LYS 26 far 0 70 0 - 8.2-35.4 HG2 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 46 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 44 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 48 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 80 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 52 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 73 0 - 9.9-15.8 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 105 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 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.4-2.9 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 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 72 72 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 69 69 100 100 2.3-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 22 49 70 63 5.2-6.9 5.0/10775=29...(6) QB ALA 28 - HD2 LYS 26 poor 20 99 20 - 4.6-9.5 QB ALA 15 - HD2 LYS 19 poor 17 83 20 - 2.2-10.6 QB ALA 34 - HD3 LYS 36 poor 17 50 55 60 4.6-6.4 10784/10860=25...(7) QB ALA 34 - HD2 LYS 26 poor 15 58 25 - 3.3-18.8 QB ALA 29 - HD2 LYS 26 poor 15 98 30 50 4.1-12.5 10790/10833=38...(5) QB ALA 28 - HD3 LYS 26 far 15 97 15 - 5.0-9.6 QB ALA 29 - HD3 LYS 26 far 14 95 15 - 4.6-11.8 QB ALA 34 - HD3 LYS 26 poor 14 55 25 - 2.0-17.7 HG3 LYS 31 - HD2 LYS 26 far 10 99 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 10 97 10 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 100 5 - 3.7-21.3 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 2.7-21.0 QB ALA 28 - HD3 LYS 31 far 5 100 5 - 5.4-10.1 QB ALA 15 - HD3 LYS 31 far 5 99 5 - 5.0-22.0 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.1-20.4 QB ALA 29 - HD2 LYS 31 far 5 99 5 - 5.8-10.1 HG2 LYS 24 - HD3 LYS 31 far 5 97 5 - 5.8-21.8 HG2 LYS 24 - HD2 LYS 26 far 5 97 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 26 far 5 94 5 - 5.1-12.5 HG2 LYS 19 - HD3 LYS 31 far 5 91 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 4 88 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 4 84 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 81 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 19 lone 4 82 55 9 2.3-9.2 7141/6.2=3, 3.7/292=1 QB ALA 16 - HD3 LYS 19 lone 4 79 60 8 2.4-9.7 7141/6.2=3, 3.7/303=1 QB ALA 34 - HD3 LYS 24 far 3 53 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 2 44 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 2 42 5 - 5.2-22.3 QB ALA 15 - HD3 LYS 19 lone 0 80 30 1 3.1-10.4 QB ALA 12 - HD3 LYS 19 far 0 48 0 - 5.9-15.4 QB ALA 34 - HD2 LYS 24 far 0 50 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 51 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 94 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 98 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 99 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 95 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 86 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 98 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 89 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 60 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 92 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 91 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 93 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 59 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 93 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 99 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 98 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 94 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 95 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 82 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 91 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 80 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 89 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 84 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 67 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 90 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 79 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 83 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 63 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 95 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 89 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 96 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 90 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 91 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 68 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 91 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 80 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 98 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 90 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 77 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 66 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 90 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 80 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 94 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 96 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 84 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 92 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 94 0 - 10.0-20.6 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 89 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 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 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 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 2.2-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 10 99 10 - 6.4-16.8 HE2 LYS 31 - HD3 LYS 26 far 10 97 10 - 6.2-16.5 HE3 LYS 26 - HD2 LYS 36 far 9 90 10 - 5.5-23.0 HE3 LYS 31 - HD2 LYS 36 far 9 89 10 - 5.8-12.0 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 6.1-16.8 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.1-22.2 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.3-16.7 HE2 LYS 24 - HD2 LYS 31 far 5 99 5 - 5.5-24.6 HE3 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.5-22.1 HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.9-24.7 HE2 LYS 24 - HD2 LYS 26 far 5 98 5 - 6.1-14.2 HE3 LYS 31 - HD2 LYS 26 far 5 98 5 - 6.5-16.6 HE2 LYS 24 - HD3 LYS 26 far 5 96 5 - 4.9-15.0 HE3 LYS 24 - HD2 LYS 31 far 5 96 5 - 6.2-24.8 HE3 LYS 31 - HD3 LYS 26 far 5 96 5 - 6.8-16.1 HE2 LYS 31 - HD3 LYS 24 far 5 95 5 - 5.5-23.0 HE2 LYS 26 - HD3 LYS 24 far 5 95 5 - 5.6-12.9 HE3 LYS 26 - HD3 LYS 24 far 5 95 5 - 5.1-11.5 HE3 LYS 24 - HD3 LYS 31 far 5 95 5 - 6.1-24.9 HE3 LYS 24 - HD2 LYS 26 far 5 94 5 - 4.8-14.1 HE3 LYS 31 - HD3 LYS 24 far 5 94 5 - 5.0-22.9 HE2 LYS 26 - HD2 LYS 24 far 5 92 5 - 5.8-14.2 HE2 LYS 26 - HD3 LYS 36 far 5 92 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 92 5 - 6.5-22.5 HE3 LYS 26 - HD3 LYS 36 far 5 91 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 91 5 - 5.8-12.5 HE3 LYS 24 - HD3 LYS 26 far 5 90 5 - 3.7-14.5 HE2 LYS 26 - HD2 LYS 36 far 5 90 5 - 5.5-22.6 HE2 LYS 31 - HD2 LYS 36 far 5 90 5 - 6.7-11.5 HE3 LYS 31 - HD2 LYS 24 far 5 90 5 - 6.2-23.7 HE2 LYS 24 - HD2 LYS 19 far 4 82 5 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 90 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 60 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 62 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 90 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 81 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 90 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 84 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 85 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 74 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 84 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 89 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.9-20.9 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 89 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.4-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 10 98 10 - 6.4-16.8 HE2 LYS 31 - HD3 LYS 26 far 10 96 10 - 6.2-16.5 HE3 LYS 31 - HD2 LYS 36 far 9 90 10 - 5.8-12.0 HE3 LYS 26 - HD2 LYS 36 far 9 86 10 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.5-24.6 HE2 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.9-24.7 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.1-22.2 HE3 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.5-22.1 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 6.1-14.2 HE3 LYS 24 - HD2 LYS 31 far 5 99 5 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 26 far 5 99 5 - 6.5-16.6 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 6.1-24.9 HE3 LYS 24 - HD2 LYS 26 far 5 98 5 - 4.8-14.1 HE3 LYS 26 - HD2 LYS 31 far 5 98 5 - 6.1-16.8 HE3 LYS 26 - HD3 LYS 31 far 5 97 5 - 6.3-16.7 HE2 LYS 24 - HD3 LYS 26 far 5 97 5 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 26 far 5 97 5 - 6.8-16.1 HE3 LYS 24 - HD3 LYS 26 far 5 96 5 - 3.7-14.5 HE3 LYS 31 - HD3 LYS 24 far 5 95 5 - 5.0-22.9 HE2 LYS 31 - HD3 LYS 24 far 5 94 5 - 5.5-23.0 HE2 LYS 26 - HD3 LYS 24 far 5 94 5 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 24 far 5 92 5 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 24 far 5 91 5 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 24 far 5 90 5 - 5.8-14.2 HE2 LYS 26 - HD3 LYS 36 far 5 90 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 90 5 - 6.5-22.5 HE2 LYS 26 - HD2 LYS 36 far 4 89 5 - 5.5-22.6 HE2 LYS 31 - HD2 LYS 36 far 4 89 5 - 6.7-11.5 HE3 LYS 26 - HD3 LYS 36 far 4 88 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 4 88 5 - 5.8-12.5 HE2 LYS 24 - HD2 LYS 19 far 4 84 5 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 84 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 73 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 75 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 90 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 98 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 82 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 82 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 97 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 90 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 81 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 98 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 98 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 91 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 98 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 90 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 82 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 72 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 79 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 70 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 90 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 77 0 - 9.9-20.9 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 112 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.8 5.2=100 HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.8-5.5 5.0=100 HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=100 HA LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.5-5.2 5.0=100 HA LYS 36 + HD3 LYS 36 OK 85 85 100 100 4.1-5.2 5.3=100 HA LYS 36 + HD2 LYS 36 OK 84 84 100 100 4.2-5.0 5.3=100 HA THR 25 + HD2 LYS 26 OK 83 83 100 100 3.0-7.4 11150/2.9=75, 582/5.7=69...(15) HA THR 25 + HD3 LYS 26 OK 81 81 100 100 4.3-7.0 11150/2.9=75, 582/5.7=69...(17) HA LYS 19 + HD2 LYS 19 OK 79 79 100 100 3.6-5.5 5.2=100 HA ARG 23 + HD3 LYS 24 OK 79 90 90 98 3.7-7.9 424/5.9=89, ~832=28...(19) HA LEU 22 + HD2 LYS 24 OK 78 94 95 88 2.0-8.9 ~1309=30, 11967/3.0=27...(13) HA LYS 19 + HD3 LYS 19 OK 75 75 100 100 3.9-5.5 5.2=100 HA THR 18 + HD2 LYS 19 OK 73 73 100 100 5.2-7.4 3.2/10696=96, 226/6.2=80...(15) HA THR 25 + HD3 LYS 24 OK 72 72 100 100 3.4-7.5 ~6234=83, ~6235=68...(18) HA GLN 27 + HD2 LYS 26 OK 72 76 95 100 3.8-7.8 ~6265=83, ~6264=65...(22) HA ARG 23 + HD2 LYS 24 OK 72 92 80 98 4.8-8.7 424/5.9=89, ~832=28...(22) HA GLN 27 + HD3 LYS 26 OK 70 74 95 100 5.5-7.8 ~6265=83, ~6264=65...(22) HA LEU 22 + HD3 LYS 24 OK 67 92 85 85 1.9-8.8 ~1309=30, 11967/3.0=27...(13) HA THR 18 + HD3 LYS 19 OK 65 69 95 100 5.1-7.8 ~10696=95, 226/6.2=80...(15) HA THR 25 + HD2 LYS 24 OK 44 74 60 100 5.2-8.2 ~6234=83, ~6235=68...(17) HA ALA 28 + HD2 LYS 26 OK 31 68 65 70 3.8-10.7 ~10771=42, 3.0/10771=41...(7) HA ALA 28 + HD3 LYS 26 OK 20 66 45 68 4.4-10.1 3.0/10771=44, ~10771=35...(4) HA LYS 31 - HD3 LYS 26 poor 20 99 20 - 5.0-16.1 HA ARG 23 - HD3 LYS 26 poor 19 97 20 - 3.6-11.3 HA GLN 27 - HD3 LYS 31 poor 15 76 20 - 4.6-13.2 HA ALA 21 - HD3 LYS 24 poor 15 61 25 - 5.9-11.8 HA LYS 26 - HD3 LYS 31 far 15 100 15 - 6.9-14.5 HA GLN 27 - HD2 LYS 31 poor 15 75 20 - 5.4-13.0 HA ARG 23 - HD2 LYS 26 far 15 99 15 - 2.1-11.5 HA ARG 23 - HD3 LYS 31 far 15 99 15 - 6.1-18.9 HA ARG 23 - HD2 LYS 31 far 15 98 15 - 6.6-18.6 HA LYS 31 - HD2 LYS 26 poor 12 100 30 39 3.8-16.5 10816/10842=14...(7) HA LYS 19 - HD2 LYS 31 far 10 100 10 - 3.8-21.0 HA LYS 26 - HD2 LYS 31 far 10 100 10 - 7.2-14.5 HA LYS 19 - HD2 LYS 24 far 9 95 10 - 6.1-16.0 HA LYS 31 - HD2 LYS 36 far 9 94 10 - 7.2-10.8 HA LYS 19 - HD3 LYS 24 far 9 93 10 - 6.6-15.8 HA LYS 26 - HD3 LYS 24 far 9 93 10 - 7.3-10.3 HA THR 25 - HD2 LYS 31 far 8 82 10 - 6.8-18.4 HA ALA 16 - HD2 LYS 19 lone 7 78 75 12 3.4-10.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 6 73 75 11 2.1-10.6 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 2.1-21.0 HA LEU 22 - HD3 LYS 31 far 5 100 5 - 5.1-21.9 HA LEU 22 - HD2 LYS 26 far 5 100 5 - 6.5-15.3 HA ALA 16 - HD3 LYS 31 far 5 99 5 - 7.3-24.5 HA LEU 22 - HD2 LYS 31 far 5 99 5 - 6.7-22.4 HA ALA 16 - HD2 LYS 31 far 5 99 5 - 5.6-24.7 HA LEU 22 - HD3 LYS 26 far 5 99 5 - 7.0-14.7 HA ALA 15 - HD3 LYS 31 far 5 98 5 - 7.4-27.2 HA GLN 61 - HD2 LYS 26 far 5 98 5 - 7.0-40.9 HA ALA 15 - HD2 LYS 31 far 5 97 5 - 5.8-26.3 HA THR 18 - HD3 LYS 31 far 5 97 5 - 6.1-23.4 HA THR 18 - HD2 LYS 31 far 5 96 5 - 7.4-23.7 HA LYS 36 - HD2 LYS 31 far 5 92 5 - 7.5-14.9 HA THR 18 - HD2 LYS 24 far 4 89 5 - 6.6-15.6 HA THR 25 - HD3 LYS 31 far 4 83 5 - 7.5-18.2 HA LYS 31 - HD2 LYS 19 far 4 79 5 - 6.6-20.6 HA LYS 31 - HD3 LYS 19 far 4 75 5 - 7.5-21.8 HA ALA 21 - HD2 LYS 26 far 4 71 5 - 6.4-17.5 HA ALA 12 - HD2 LYS 19 far 3 68 5 - 7.5-20.7 HA ALA 12 - HD3 LYS 19 far 3 64 5 - 6.6-19.4 HA SER 74 - HD2 LYS 19 far 3 63 5 - 7.0-33.1 HA SER 74 - HD3 LYS 19 far 3 59 5 - 5.6-34.0 HA ALA 28 - HD3 LYS 24 far 3 58 5 - 6.2-15.8 HA GLN 27 - HD2 LYS 19 far 3 53 5 - 7.5-19.3 HA ALA 21 - HD2 LYS 19 far 2 49 5 - 7.5-10.6 HA ALA 28 - HD2 LYS 19 far 2 47 5 - 6.9-20.2 HA ALA 21 - HD3 LYS 19 far 2 46 5 - 7.7-10.6 HA ALA 15 - HD3 LYS 19 lone 1 71 50 3 4.8-12.5 HA ALA 15 - HD2 LYS 19 lone 1 75 40 3 4.4-12.5 HA ALA 21 - HD2 LYS 24 lone 1 62 35 3 5.0-11.7 HA GLN 27 - HD3 LYS 19 far 0 50 0 - 7.7-20.4 HA ALA 28 - HD3 LYS 31 far 0 68 0 - 7.8-12.0 HA LYS 36 - HD3 LYS 26 far 0 92 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 69 0 - 7.9-17.6 HA ALA 28 - HD2 LYS 24 far 0 60 0 - 7.9-16.8 HA ALA 28 - HD3 LYS 19 far 0 44 0 - 8.0-20.7 HA THR 18 - HD3 LYS 24 far 0 87 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 93 0 - 8.1-15.3 HA ALA 28 - HD2 LYS 31 far 0 67 0 - 8.1-12.8 HA ALA 21 - HD3 LYS 31 far 0 71 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 93 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 89 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 97 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 72 0 - 8.5-12.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 76 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 96 0 - 8.8-21.0 HA GLN 27 - HD3 LYS 24 far 0 65 0 - 8.8-12.8 HA LYS 31 - HD3 LYS 36 far 0 95 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 79 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 94 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 94 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 99 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 91 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 75 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 85 0 - 9.2-49.0 HA GLN 27 - HD2 LYS 24 far 0 67 0 - 9.3-14.0 HA ALA 12 - HD3 LYS 26 far 0 90 0 - 9.4-36.0 HA SER 124 - HD2 LYS 95 far 0 62 0 - 9.5-13.8 HA LYS 31 - HD3 LYS 24 far 0 93 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 97 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 100 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 95 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 99 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 70 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 9.7-25.1 HA ALA 28 - HD2 LYS 36 far 0 59 0 - 9.7-15.3 HA THR 25 - HD2 LYS 36 far 0 73 0 - 9.7-20.9 HA SER 124 - HD3 LYS 95 far 0 64 0 - 9.8-13.9 HA LEU 22 - HD2 LYS 19 far 0 78 0 - 9.9-12.2 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 52 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.0 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-4.0 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 1.9-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 3.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 1.9-4.1 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.1-3.8 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.6 3.9=100 HB2 LYS 24 - HD2 LYS 26 far 10 100 10 - 3.8-12.9 HB2 ARG 23 - HD2 LYS 24 far 9 91 10 - 5.4-10.0 HB2 ARG 23 - HD3 LYS 24 far 9 89 10 - 4.6-9.3 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.0-20.8 HB2 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.6-14.8 HB2 LYS 24 - HD3 LYS 26 far 5 99 5 - 3.3-12.3 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.5-20.9 HB2 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.5-14.9 HB2 ARG 23 - HD2 LYS 26 far 5 98 5 - 4.1-14.0 HB2 ARG 23 - HD3 LYS 26 far 5 97 5 - 5.5-13.8 HB2 LYS 31 - HD2 LYS 26 lone 3 100 30 9 2.4-13.9 809/6347=5, 6331/6335=2 HB2 LYS 31 - HD3 LYS 26 lone 2 99 25 7 2.6-13.4 809/6348=4 HB2 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.2-20.1 HB2 ARG 23 - HD2 LYS 31 far 0 97 0 - 6.6-19.6 HB2 LYS 31 - HD2 LYS 19 far 0 79 0 - 6.6-17.8 HB2 LYS 26 - HD3 LYS 24 far 0 93 0 - 7.0-11.8 HB2 ARG 23 - HD3 LYS 19 far 0 71 0 - 7.0-11.4 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.3-20.7 HB2 LYS 31 - HD3 LYS 19 far 0 75 0 - 7.3-19.0 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.4-20.6 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.4-12.2 HB2 LYS 26 - HD2 LYS 24 far 0 94 0 - 7.5-12.4 HB2 LYS 26 - HD2 LYS 36 far 0 94 0 - 7.7-19.4 HB2 ARG 23 - HD2 LYS 19 far 0 75 0 - 7.7-11.6 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.1-20.0 HG3 ARG 90 - HD2 LYS 95 far 0 97 0 - 8.1-11.5 HG13 ILE 129 - HD3 LYS 95 far 0 100 0 - 8.2-11.0 HB2 LYS 19 - HD2 LYS 24 far 0 95 0 - 8.2-17.0 HB2 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.3-24.0 HB2 LYS 26 - HD3 LYS 36 far 0 94 0 - 8.3-21.2 HG13 ILE 129 - HD2 LYS 95 far 0 99 0 - 8.4-10.9 HB2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.5-20.9 HB3 LEU 70 - HD2 LYS 95 far 0 57 0 - 8.5-14.1 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.6-21.1 HB2 LYS 19 - HD3 LYS 24 far 0 93 0 - 8.6-16.5 HG3 ARG 90 - HD3 LYS 95 far 0 99 0 - 8.6-11.4 HB3 LEU 70 - HD3 LYS 95 far 0 59 0 - 8.6-14.1 HB2 LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-25.3 HB2 LYS 24 - HD2 LYS 19 far 0 79 0 - 9.0-16.3 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.0-13.9 HB2 LYS 26 - HD3 LYS 19 far 0 75 0 - 9.1-20.3 HB2 LYS 31 - HD3 LYS 24 far 0 93 0 - 9.1-20.0 HB3 LEU 70 - HD3 LYS 24 far 0 51 0 - 9.8-36.3 HB3 LEU 70 - HD2 LYS 24 far 0 52 0 - 10.0-36.9 Violated in 0 structures by 0.00 A. Peak 857 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 5.73 A): 19 out of 69 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-4.0 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.3-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.5 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 2.0-3.6 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 78 78 100 100 2.9-3.9 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 74 74 100 100 2.4-4.2 3.9=100 HB ILE 32 + HD2 LYS 36 OK 41 94 55 79 4.6-8.0 6361/10855=55...(7) HB ILE 32 + HD3 LYS 26 OK 40 99 40 100 4.8-14.9 10833/1.8=98, ~10837=43...(37) HB ILE 32 + HD2 LYS 31 OK 39 100 40 98 4.9-9.0 10825/3.0=29...(54) HB VAL 93 + HD3 LYS 95 OK 35 89 45 88 6.0-8.5 11342/5.5=39...(9) HB ILE 32 + HD2 LYS 26 OK 35 100 35 100 4.4-15.8 10833=72, ~10767=66...(39) HB VAL 93 + HD2 LYS 95 OK 31 87 40 88 6.2-8.6 11342/5.5=39...(9) HB3 LEU 98 + HD3 LYS 95 OK 28 59 55 88 4.7-8.0 2963/5.0=43, 3.1/3194=22...(15) HB3 LEU 98 + HD2 LYS 95 OK 28 57 55 88 5.2-8.5 2963/5.0=43, 3.0/3178=23...(15) HB ILE 32 + HD3 LYS 31 OK 25 100 25 98 4.6-9.2 10825/3.0=29...(54) HB3 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.5-15.2 HB3 ARG 23 - HD3 LYS 24 poor 20 91 30 73 5.3-8.7 6221/5.9=18, ~1018=9...(26) HB3 LYS 31 - HD3 LYS 26 poor 20 99 20 - 3.8-14.8 HB3 LYS 26 - HD3 LYS 31 far 15 100 15 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 15 100 15 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 26 far 15 98 15 - 4.9-13.2 HB ILE 32 - HD3 LYS 36 far 14 95 15 - 5.8-9.4 HB3 LYS 24 - HD2 LYS 26 far 10 100 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 10 99 10 - 2.8-11.2 HB3 ARG 23 - HD2 LYS 26 far 10 99 10 - 4.3-13.4 HB3 ARG 23 - HD2 LYS 24 far 9 93 10 - 6.3-9.4 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.3-19.1 HB3 ARG 23 - HD3 LYS 31 far 5 99 5 - 6.4-20.4 HB3 LYS 19 - HD2 LYS 31 far 5 99 5 - 6.0-19.2 HB2 LYS 36 - HD2 LYS 31 far 5 99 5 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 19 far 4 79 5 - 5.8-18.1 HB3 LYS 31 - HD3 LYS 19 far 4 75 5 - 6.3-19.4 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 99 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 93 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 94 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 73 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 78 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 92 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 93 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 93 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 93 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 75 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 75 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 94 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 94 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 79 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 75 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 75 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 77 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 77 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 92 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 858 from aliabs.peaks (1.46, 1.66, 28.90 ppm; 5.63 A): 16 out of 53 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.3-2.9 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 2.6-3.0 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 2.3-2.9 2.9=100 HG3 LYS 19 + HD2 LYS 19 OK 61 61 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 57 57 100 100 2.4-3.0 3.0=100 QB ALA 92 + HD2 LYS 95 OK 50 62 80 100 3.8-6.7 9948/3.7=47, 9950/3.0=45...(22) QB ALA 92 + HD3 LYS 95 OK 45 64 70 100 3.6-6.7 9948/3.7=47, 9950/3.0=45...(22) HG13 ILE 32 + HD3 LYS 31 OK 36 63 60 96 3.4-9.5 10757/5.2=24...(51) HG13 ILE 32 + HD2 LYS 31 OK 33 62 55 96 3.7-8.9 10757/5.2=24...(49) HG13 ILE 32 + HD2 LYS 26 OK 28 63 45 100 3.0-13.6 ~10767=77, 2.9/10833=62...(53) HG13 ILE 32 + HD3 LYS 26 OK 27 61 45 100 3.5-12.7 ~10833=66, 3.2/10837=38...(55) HG2 LYS 31 - HD3 LYS 26 poor 20 99 20 - 3.8-15.2 HG2 LYS 31 - HD2 LYS 26 far 15 100 15 - 4.4-16.1 HG3 LYS 24 - HD2 LYS 26 far 10 98 10 - 3.9-13.0 HG13 ILE 32 - HD2 LYS 36 far 8 54 15 - 5.5-10.0 HG3 LYS 36 - HD2 LYS 26 far 5 100 5 - 5.5-23.5 HG3 LYS 24 - HD3 LYS 26 far 5 97 5 - 3.7-12.6 HG3 LYS 19 - HD3 LYS 31 far 4 85 5 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 4 85 5 - 6.4-20.6 HG3 LYS 19 - HD3 LYS 26 far 4 83 5 - 6.0-20.3 HG2 LYS 26 - HD3 LYS 31 far 3 68 5 - 5.4-14.1 HG2 LYS 26 - HD2 LYS 31 far 3 67 5 - 6.1-14.1 HG3 LYS 36 - HD3 LYS 26 far 0 99 0 - 6.6-22.6 HG2 LYS 26 - HD2 LYS 36 far 0 59 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 79 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.0-14.5 HG13 ILE 32 - HD3 LYS 36 far 0 55 0 - 7.1-11.7 HG3 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 98 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 58 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 95 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 60 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 97 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 60 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 93 0 - 7.9-22.0 QB ALA 52 - HD2 LYS 26 far 0 76 0 - 8.0-36.3 HG13 ILE 32 - HD3 LYS 24 far 0 53 0 - 8.1-21.0 QB ALA 52 - HD3 LYS 26 far 0 74 0 - 8.2-35.4 HG2 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.3-20.6 HG2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.4-14.7 HG13 ILE 32 - HD2 LYS 19 far 0 43 0 - 8.6-21.7 HG13 ILE 32 - HD3 LYS 19 far 0 40 0 - 8.7-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 44 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 75 0 - 9.5-15.6 HG13 ILE 32 - HD2 LYS 24 far 0 55 0 - 9.8-20.8 HG3 LYS 19 - HD2 LYS 24 far 0 76 0 - 9.9-15.8 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 105 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 2.4-2.9 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 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 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 98 98 100 100 2.4-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.3-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 23 52 70 64 5.2-6.9 5.0/10775=30...(6) QB ALA 28 - HD2 LYS 26 poor 20 100 20 - 4.6-9.5 QB ALA 34 - HD3 LYS 36 poor 18 52 55 61 4.6-6.4 10784/10783=26...(7) QB ALA 29 - HD2 LYS 26 poor 16 99 30 54 4.1-12.5 10790/10833=44...(5) QB ALA 15 - HD2 LYS 19 poor 16 79 20 - 2.2-10.6 QB ALA 34 - HD2 LYS 26 poor 15 60 25 - 3.3-18.8 QB ALA 28 - HD3 LYS 26 far 15 99 15 - 5.0-9.6 QB ALA 29 - HD3 LYS 26 far 15 98 15 - 4.6-11.8 QB ALA 34 - HD3 LYS 26 poor 15 58 25 - 2.0-17.7 HG3 LYS 31 - HD2 LYS 26 far 10 100 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-16.0 QB ALA 28 - HD3 LYS 31 far 5 100 5 - 5.4-10.1 QB ALA 15 - HD3 LYS 31 far 5 100 5 - 5.0-22.0 QB ALA 15 - HD2 LYS 31 far 5 99 5 - 3.7-21.3 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.1-20.4 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 2.7-21.0 QB ALA 29 - HD2 LYS 31 far 5 98 5 - 5.8-10.1 HG2 LYS 24 - HD2 LYS 26 far 5 98 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 31 far 5 98 5 - 5.8-21.8 HG2 LYS 24 - HD3 LYS 26 far 5 97 5 - 5.1-12.5 HG2 LYS 19 - HD3 LYS 31 far 5 92 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 5 92 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 4 79 5 - 3.8-16.2 QB ALA 16 - HD2 LYS 19 lone 4 78 55 9 2.3-9.2 7141/6.2=3, 3.7/292=1 QB ALA 28 - HD3 LYS 19 far 4 75 5 - 4.7-17.0 QB ALA 16 - HD3 LYS 19 lone 4 73 60 8 2.4-9.7 7141/6.2=3, 3.7/303=1 QB ALA 34 - HD3 LYS 24 far 3 51 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 2 41 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 2 38 5 - 5.2-22.3 QB ALA 15 - HD3 LYS 19 lone 0 74 30 1 3.1-10.4 QB ALA 12 - HD3 LYS 19 far 0 44 0 - 5.9-15.4 QB ALA 34 - HD2 LYS 24 far 0 52 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 47 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 98 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 93 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 92 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 90 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 99 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 92 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 59 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 95 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 94 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 91 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 79 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 60 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 94 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 99 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 93 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 93 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 77 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 94 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 75 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 92 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 99 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 88 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 93 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 68 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 73 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 87 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 66 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 93 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 92 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 98 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 93 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 94 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 94 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 83 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 99 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 94 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 71 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 68 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 93 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 74 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 91 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 99 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 81 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 95 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 92 0 - 10.0-20.6 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 89 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 86 86 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 10 100 10 - 6.4-16.8 HE2 LYS 31 - HD3 LYS 26 far 10 99 10 - 6.2-16.5 HE3 LYS 26 - HD2 LYS 36 far 9 94 10 - 5.5-23.0 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 5.8-12.0 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.1-22.2 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.3-16.7 HE3 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.5-22.1 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 6.1-16.8 HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.9-24.7 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 6.1-14.2 HE3 LYS 31 - HD2 LYS 26 far 5 99 5 - 6.5-16.6 HE2 LYS 24 - HD2 LYS 31 far 5 99 5 - 5.5-24.6 HE2 LYS 24 - HD3 LYS 26 far 5 98 5 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 26 far 5 98 5 - 6.8-16.1 HE3 LYS 24 - HD2 LYS 26 far 5 96 5 - 4.8-14.1 HE3 LYS 24 - HD3 LYS 31 far 5 96 5 - 6.1-24.9 HE2 LYS 26 - HD2 LYS 24 far 5 95 5 - 5.8-14.2 HE3 LYS 24 - HD2 LYS 31 far 5 95 5 - 6.2-24.8 HE2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.5-22.5 HE3 LYS 24 - HD3 LYS 26 far 5 94 5 - 3.7-14.5 HE3 LYS 26 - HD3 LYS 36 far 5 94 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 94 5 - 5.8-12.5 HE2 LYS 26 - HD2 LYS 36 far 5 94 5 - 5.5-22.6 HE2 LYS 31 - HD2 LYS 36 far 5 94 5 - 6.7-11.5 HE2 LYS 31 - HD3 LYS 24 far 5 93 5 - 5.5-23.0 HE2 LYS 26 - HD3 LYS 24 far 5 93 5 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 24 far 5 93 5 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 24 far 5 93 5 - 5.1-11.5 HE3 LYS 31 - HD3 LYS 24 far 5 91 5 - 5.0-22.9 HE2 LYS 24 - HD2 LYS 19 far 4 78 5 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 93 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 78 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 64 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 72 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 79 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 75 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 73 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 73 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 99 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 84 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 68 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 85 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 75 0 - 9.9-20.9 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 89 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 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 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.4-3.0 2.9=100 HE2 LYS 31 - HD2 LYS 26 far 10 99 10 - 6.4-16.8 HE2 LYS 31 - HD3 LYS 26 far 10 98 10 - 6.2-16.5 HE3 LYS 31 - HD2 LYS 36 far 9 94 10 - 5.8-12.0 HE3 LYS 26 - HD2 LYS 36 far 9 90 10 - 5.5-23.0 HE2 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.9-24.7 HE2 LYS 24 - HD2 LYS 26 far 5 100 5 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.1-22.2 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 6.5-16.6 HE2 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.5-24.6 HE3 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.5-22.1 HE2 LYS 24 - HD3 LYS 26 far 5 99 5 - 4.9-15.0 HE3 LYS 24 - HD2 LYS 26 far 5 99 5 - 4.8-14.1 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 6.1-24.9 HE3 LYS 31 - HD3 LYS 26 far 5 99 5 - 6.8-16.1 HE3 LYS 24 - HD3 LYS 26 far 5 98 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 31 far 5 99 5 - 6.2-24.8 HE3 LYS 26 - HD3 LYS 31 far 5 98 5 - 6.3-16.7 HE3 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.1-16.8 HE3 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.2-23.7 HE3 LYS 31 - HD3 LYS 24 far 5 93 5 - 5.0-22.9 HE2 LYS 26 - HD2 LYS 24 far 5 93 5 - 5.8-14.2 HE2 LYS 26 - HD3 LYS 36 far 5 93 5 - 6.1-24.2 HE2 LYS 31 - HD2 LYS 24 far 5 93 5 - 6.5-22.5 HE2 LYS 26 - HD2 LYS 36 far 5 92 5 - 5.5-22.6 HE2 LYS 31 - HD2 LYS 36 far 5 92 5 - 6.7-11.5 HE2 LYS 31 - HD3 LYS 24 far 5 91 5 - 5.5-23.0 HE2 LYS 26 - HD3 LYS 24 far 5 91 5 - 5.6-12.9 HE3 LYS 26 - HD3 LYS 36 far 5 91 5 - 5.6-24.6 HE3 LYS 26 - HD2 LYS 24 far 5 91 5 - 5.8-12.5 HE3 LYS 26 - HD3 LYS 24 far 4 89 5 - 5.1-11.5 HE2 LYS 24 - HD2 LYS 19 far 4 79 5 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 95 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 77 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 78 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 98 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 94 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 78 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 98 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 78 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 73 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 93 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 75 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 98 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 94 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 73 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 98 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 94 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 78 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 70 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 73 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 94 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 71 0 - 9.9-20.9 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 106 assignments used, quality = 1.00: * HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-6.1 6.5=78, 822/3.7=40...(28) HA LYS 19 + HE2 LYS 19 OK 99 100 100 100 4.1-6.6 6.4=81, 627/3.8=36...(35) HA LYS 19 + HE3 LYS 19 OK 99 100 100 100 4.2-6.1 6.4=81, 627/3.8=36...(35) HA LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.8-6.5 6.6=74, 627/3.6=38...(23) HA LYS 26 + HE3 LYS 26 OK 99 100 100 99 3.2-6.0 6.6=74, 627/3.6=38...(23) HA LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.6-6.0 6.5=78, 822/3.7=40...(28) HA LYS 36 + HE3 LYS 36 OK 93 93 100 100 4.7-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 93 93 100 100 5.6-6.5 6.0=100 HA THR 25 + HE3 LYS 26 OK 76 82 95 98 3.2-7.5 11150/3.6=71, 9587=54...(12) HA THR 25 + HE2 LYS 26 OK 73 83 90 98 2.8-7.9 11150/3.6=71...(13) HA PHE 87 + HE3 LYS 86 OK 55 71 80 97 4.4-7.9 2724/2646=58...(9) HA LEU 22 + HE3 LYS 24 OK 32 86 65 57 2.1-8.7 11967/4.0=19...(9) HA THR 25 + HE2 LYS 24 OK 32 78 45 90 6.1-9.0 ~544=37, 11128/5.1=34...(11) HA LEU 22 + HE2 LYS 24 OK 31 97 65 49 3.1-8.8 11967/4.0=19, 282/4.0=10...(8) HA ARG 23 + HE2 LYS 24 OK 25 96 35 74 4.5-9.3 424/7.4=49, 833/4.0=11...(12) HA THR 18 + HE3 LYS 19 OK 23 96 25 95 4.8-9.2 ~10696=67, 226/7.3=49...(8) HA ARG 23 + HE3 LYS 24 OK 21 83 35 73 4.1-9.5 424/7.4=49, 833/4.0=11...(12) HA GLN 27 - HE2 LYS 31 poor 19 76 25 - 4.4-14.3 HA THR 25 - HE3 LYS 24 poor 16 66 25 - 4.8-9.1 HA GLN 27 - HE3 LYS 26 poor 15 75 20 - 5.4-8.7 HA ARG 23 - HE2 LYS 26 far 15 99 15 - 3.6-11.8 HA ALA 15 - HE3 LYS 19 far 15 97 15 - 5.6-14.5 HA ALA 21 - HE2 LYS 24 poor 13 67 20 - 6.3-12.4 HA GLN 27 - HE2 LYS 26 far 11 76 15 - 6.3-9.1 HA ALA 21 - HE3 LYS 24 poor 11 55 20 - 4.9-11.8 HA GLN 27 - HE3 LYS 31 far 11 72 15 - 5.5-14.7 HA ALA 28 - HE2 LYS 26 far 10 68 15 - 4.7-11.0 HA ALA 28 - HE3 LYS 26 far 10 67 15 - 4.8-10.2 HA ARG 23 - HE2 LYS 31 far 10 99 10 - 4.9-18.7 HA LYS 19 - HE2 LYS 24 far 10 98 10 - 3.8-14.9 HA LYS 19 - HE3 LYS 31 far 10 98 10 - 3.8-22.2 HA ARG 23 - HE3 LYS 26 far 10 98 10 - 3.1-11.4 HA LEU 22 - HE3 LYS 31 far 10 97 10 - 6.3-24.0 HA THR 18 - HE2 LYS 19 far 10 96 10 - 6.1-8.5 HA ARG 23 - HE3 LYS 31 far 10 96 10 - 5.5-19.0 HA LYS 19 - HE3 LYS 24 far 9 87 10 - 4.4-14.4 HA THR 25 - HE2 LYS 31 far 8 83 10 - 5.1-18.0 HA THR 25 - HE3 LYS 31 far 8 78 10 - 4.9-17.1 HA ALA 28 - HE2 LYS 31 far 7 68 10 - 6.2-13.8 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 4.9-21.3 HA LYS 31 - HE3 LYS 26 far 5 100 5 - 4.7-17.0 HA LYS 31 - HE2 LYS 26 far 5 100 5 - 6.2-16.8 HA LYS 26 - HE2 LYS 31 far 5 100 5 - 6.5-14.4 HA LEU 22 - HE2 LYS 31 far 5 100 5 - 4.9-22.6 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 6.1-21.9 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 5 98 5 - 6.8-24.8 HA THR 18 - HE2 LYS 24 far 5 93 5 - 5.8-15.2 HA ALA 12 - HE2 LYS 19 far 5 91 5 - 5.8-19.1 HA ALA 12 - HE3 LYS 19 far 5 91 5 - 6.0-19.5 HA ARG 84 - HE3 LYS 86 far 4 45 10 - 6.5-8.3 HA SER 74 - HE2 LYS 19 far 4 86 5 - 5.0-34.2 HA SER 74 - HE3 LYS 19 far 4 86 5 - 6.5-33.5 HA GLN 27 - HE2 LYS 19 far 4 75 5 - 5.9-19.7 HA GLN 27 - HE3 LYS 19 far 4 75 5 - 6.3-18.5 HA ALA 28 - HE2 LYS 19 far 3 67 5 - 5.0-20.5 HA ALA 28 - HE3 LYS 19 far 3 67 5 - 6.3-20.7 HA ALA 16 - HE2 LYS 19 lone 3 99 40 8 3.7-12.6 7131/7.3=2 HA ALA 16 - HE3 LYS 19 lone 2 99 30 8 4.0-12.0 7131/7.3=2 HA ALA 15 - HE2 LYS 19 lone 0 97 25 2 4.2-14.7 HA ALA 15 - HE3 LYS 31 far 0 95 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 87 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 80 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 99 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 55 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 97 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 97 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 98 0 - 7.5-13.4 HA ALA 28 - HE3 LYS 31 far 0 64 0 - 7.6-13.7 HA ALA 21 - HE3 LYS 19 far 0 70 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 71 0 - 7.7-18.0 HA ALA 28 - HE2 LYS 24 far 0 64 0 - 7.7-15.7 HA ALA 28 - HE3 LYS 24 far 0 53 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 93 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 89 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 59 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 92 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 98 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 70 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 97 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 70 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 71 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 87 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 93 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 98 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 67 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 83 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 93 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 70 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 92 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 83 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 88 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 95 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 72 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-4.8 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.1 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.7 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.1-5.4 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.8-5.4 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 1.9-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 68 68 100 100 1.9-5.1 ~11877=94, ~11243=94...(20) HG3 ARG 90 + HE3 LYS 86 OK 55 69 80 100 2.9-9.3 9651/9655=93...(5) HB2 LYS 31 - HE3 LYS 26 poor 20 100 20 - 3.2-14.2 HB2 ARG 23 - HE2 LYS 24 poor 19 95 20 - 4.3-10.8 HB2 LYS 19 - HE2 LYS 31 far 15 100 15 - 6.6-21.4 HB2 LYS 26 - HE2 LYS 31 far 15 100 15 - 6.3-15.1 HB2 LYS 26 - HE3 LYS 31 far 15 98 15 - 6.8-14.2 HB2 ARG 23 - HE3 LYS 24 poor 13 83 30 54 4.4-10.1 834/4.0=8, 6203/876=8...(26) HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 5.0-20.1 HB2 ARG 23 - HE2 LYS 26 far 10 98 10 - 4.6-13.6 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.1-22.2 HB2 LYS 24 - HE3 LYS 31 far 10 98 10 - 5.0-19.9 HB2 ARG 23 - HE2 LYS 31 far 10 98 10 - 5.5-19.9 HB2 LYS 19 - HE2 LYS 24 far 10 98 10 - 5.7-16.4 HB2 ARG 23 - HE3 LYS 26 far 10 97 10 - 5.4-12.0 HB2 ARG 23 - HE3 LYS 19 far 10 97 10 - 5.8-12.3 HB2 ARG 23 - HE3 LYS 31 far 9 95 10 - 5.6-20.3 HB2 LYS 19 - HE3 LYS 24 far 9 87 10 - 6.2-16.4 HB2 LYS 24 - HE3 LYS 26 poor 7 100 25 28 3.2-10.9 11128/9587=22 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.6-19.1 HB2 LYS 31 - HE2 LYS 36 far 5 100 5 - 7.6-13.8 HB2 LYS 26 - HE2 LYS 24 far 5 98 5 - 7.5-13.7 HB2 ARG 23 - HE2 LYS 19 far 5 97 5 - 7.5-12.4 HB2 LYS 24 - HE2 LYS 26 lone 5 100 30 15 3.9-12.6 11128/9587=10 HB2 LYS 26 - HE3 LYS 24 far 4 87 5 - 6.0-13.1 HB2 LYS 31 - HE2 LYS 26 lone 3 100 35 9 4.5-15.1 6331/6337=2 HB2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 85 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 87 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 99 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 98 0 - 9.7-25.4 HB3 LEU 70 - HE2 LYS 19 far 0 59 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 868 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.97 A): 15 out of 71 assignments used, quality = 1.00: * HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.5 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.4 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 55 55 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 42 98 45 96 5.1-9.8 10825=32, 10825/1.8=27...(41) HB ILE 32 + HE2 LYS 26 OK 35 100 35 100 4.9-16.7 10833/3.0=91, ~10767=57...(30) HB ILE 32 + HE2 LYS 31 OK 34 100 35 96 5.0-10.0 10825/1.8=35, 10825=29...(35) HB ILE 32 + HE3 LYS 26 OK 25 100 25 100 4.6-16.1 10833/3.0=91, ~10767=57...(30) HB3 ARG 23 - HE3 LYS 24 poor 17 85 20 - 4.8-9.8 HB3 LYS 24 - HE2 LYS 26 far 15 100 15 - 2.3-11.2 HB ILE 32 - HE2 LYS 36 far 15 100 15 - 4.4-10.1 HB3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.9-13.4 HB3 LYS 19 - HE2 LYS 31 far 15 100 15 - 6.1-19.6 HB3 LYS 19 - HE3 LYS 31 far 15 97 15 - 4.9-20.5 HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.3-10.0 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 26 far 10 99 10 - 3.1-12.7 HB3 ARG 23 - HE2 LYS 31 far 10 99 10 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 26 far 10 99 10 - 4.7-12.6 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.9-19.8 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB3 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.8-15.1 HB ILE 32 - HE3 LYS 36 far 5 100 5 - 6.1-10.4 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 26 far 5 99 5 - 6.2-21.3 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.6-21.1 HB3 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.8-13.2 HB3 LYS 19 - HE2 LYS 24 far 5 97 5 - 6.3-15.6 HB2 LYS 36 - HE3 LYS 31 far 5 97 5 - 6.7-12.2 HB3 LYS 19 - HE3 LYS 24 far 4 86 5 - 5.9-15.4 HB3 LYS 26 - HE3 LYS 24 far 0 86 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 55 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 71 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 87 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 58 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 99 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 98 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 99 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 87 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 87 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 69 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 87 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 86 0 - 10.0-34.6 Violated in 0 structures by 0.00 A. Peak 869 from aliabs.peaks (1.46, 2.96, 41.80 ppm; 4.27 A): 11 out of 54 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 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.5-3.9 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 2.1-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 84 84 100 100 2.2-4.2 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 2.0-4.2 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 68 68 100 100 2.3-4.2 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 3.5-3.8 3.7=100 HG13 ILE 32 - HE2 LYS 31 poor 19 63 30 - 2.7-10.2 HG13 ILE 32 - HE3 LYS 31 poor 18 59 30 - 3.5-9.5 HG13 ILE 32 - HE2 LYS 26 far 9 63 15 - 3.8-14.7 HG13 ILE 32 - HE3 LYS 26 far 9 62 15 - 3.9-14.0 HG2 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 97 5 - 4.4-11.8 HG3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 53 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 63 0 - 5.8-11.9 HG3 LYS 24 - HE3 LYS 31 far 0 95 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 85 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 68 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 81 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 98 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 85 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 62 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 64 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 63 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 62 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 64 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 87 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 76 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 75 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 48 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 59 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 81 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 84 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 68 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 68 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 39 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 68 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 67 0 - 9.8-20.6 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 90 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.1-4.2 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.7-4.1 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 2.4-3.1 3.7=100 QB ALA 16 - HE2 LYS 19 poor 20 99 20 - 3.3-11.4 QB ALA 34 - HE2 LYS 26 poor 18 60 30 - 3.0-18.9 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 15 99 15 - 4.2-11.0 QB ALA 34 - HE3 LYS 26 far 9 59 15 - 2.6-18.8 QB ALA 12 - HE2 LYS 19 far 7 67 10 - 4.0-16.7 QB ALA 28 - HE2 LYS 19 far 5 100 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 3.2-17.3 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 16 - HE2 LYS 31 far 5 99 5 - 4.9-20.9 QB ALA 29 - HE2 LYS 26 far 5 99 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 99 5 - 4.7-10.3 HG2 LYS 24 - HE2 LYS 31 far 5 98 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 98 5 - 4.8-12.5 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 4.7-11.5 QB ALA 16 - HE3 LYS 31 far 5 97 5 - 4.7-22.0 HG2 LYS 24 - HE3 LYS 31 far 5 95 5 - 4.3-21.5 HG3 LYS 26 - HE3 LYS 24 far 4 86 5 - 4.3-13.1 QB ALA 12 - HE3 LYS 19 far 3 67 5 - 3.8-17.0 QB ALA 34 - HE3 LYS 19 far 3 59 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 59 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 3 56 5 - 4.5-27.4 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 98 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 98 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 96 0 - 5.3-10.3 QB ALA 34 - HE2 LYS 31 far 0 60 0 - 5.5-13.1 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 QB ALA 34 - HE3 LYS 24 far 0 46 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 60 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 56 0 - 5.8-13.4 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 96 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 96 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.2-20.2 QB ALA 34 - HE3 LYS 36 far 0 60 0 - 6.2-8.1 QB ALA 29 - HE2 LYS 36 far 0 99 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 98 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 99 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 96 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 92 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 98 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 84 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 88 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 99 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 64 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 97 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 87 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 87 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 75 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 98 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 98 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 86 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 92 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 85 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 91 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 68 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 68 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 68 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 67 0 - 9.8-29.7 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 94 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.4-3.0 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 2.4-3.0 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 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 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 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 86 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 96 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 99 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 99 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 96 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 99 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 86 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 87 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 99 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 99 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 97 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 55 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 68 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 100 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 60 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 86 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 99 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 99 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 100 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 99 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 99 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 99 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 98 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 96 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 84 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 96 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 96 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-20.9 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 94 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 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 2.4-3.0 2.9=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 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 86 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 87 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 97 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 99 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 87 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 86 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 50 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 55 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 83 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 99 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 92 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 99 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 82 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 92 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 873 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 79 79 - 100 HE3 LYS 86 + HE3 LYS 86 OK 70 70 - 100 Peak 874 from aliabs.peaks (2.95, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 99 99 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 85 85 - 100 HE3 LYS 86 + HE3 LYS 86 OK 71 71 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 877 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 4.54 A): 10 out of 106 assignments used, quality = 1.00: HA LYS 19 + HE3 LYS 19 OK 76 100 80 95 4.2-6.1 6.4=36, 627/3.8=25...(35) HA LYS 31 + HE2 LYS 31 OK 75 98 80 95 2.0-6.1 6.5=35, 822/3.7=29...(27) HA LYS 26 + HE3 LYS 26 OK 68 94 80 91 3.2-6.0 6.6=33, 627/3.6=27...(22) HA THR 25 + HE3 LYS 26 OK 65 73 95 94 3.2-7.5 9587=54, 11150/3.6=52...(12) HA LYS 26 + HE2 LYS 26 OK 58 98 65 92 2.8-6.5 6.6=33, 627/3.6=27...(23) * HA LYS 31 + HE3 LYS 31 OK 57 100 60 96 2.6-6.0 6.5=35, 822/3.7=29...(27) HA LYS 19 + HE2 LYS 19 OK 43 100 45 96 4.1-6.6 6.4=36, 627/3.8=25...(35) HA THR 25 + HE2 LYS 26 OK 33 78 45 93 2.8-7.9 11150/3.6=52...(12) HA PHE 87 + HE3 LYS 86 OK 25 73 40 86 4.4-7.9 2724/2646=37...(8) HA LYS 36 + HE3 LYS 36 OK 21 88 25 96 4.7-6.5 6.0=44, 3.0/1064=35...(22) HA ALA 16 - HE2 LYS 19 poor 20 99 20 - 3.7-12.6 HA ARG 23 - HE3 LYS 24 poor 19 96 20 - 4.1-9.5 HA LEU 22 - HE3 LYS 24 poor 18 97 45 41 2.1-8.7 401/10757=11...(9) HA ALA 16 - HE3 LYS 19 far 15 99 15 - 4.0-12.0 HA ARG 23 - HE2 LYS 24 far 15 99 15 - 4.5-9.3 HA LEU 22 - HE2 LYS 24 poor 14 100 45 32 3.1-8.8 11967/4.0=10, 282/4.0=7...(8) HA THR 25 - HE3 LYS 24 far 12 78 15 - 4.8-9.1 HA LYS 19 - HE2 LYS 24 far 10 100 10 - 3.8-14.9 HA LYS 19 - HE3 LYS 24 far 10 98 10 - 4.4-14.4 HA THR 18 - HE3 LYS 19 far 10 96 10 - 4.8-9.2 HA ARG 23 - HE2 LYS 26 far 10 96 10 - 3.6-11.8 HA ARG 23 - HE2 LYS 31 far 10 96 10 - 4.9-18.7 HA THR 25 - HE3 LYS 31 far 8 83 10 - 4.9-17.1 HA THR 25 - HE2 LYS 31 far 8 78 10 - 5.1-18.0 HA GLN 27 - HE2 LYS 31 far 7 72 10 - 4.4-14.3 HA ALA 21 - HE3 LYS 24 far 7 67 10 - 4.9-11.8 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 3.8-22.2 HA LYS 19 - HE2 LYS 31 far 5 98 5 - 4.9-21.3 HA ALA 15 - HE2 LYS 19 far 5 97 5 - 4.2-14.7 HA LEU 22 - HE2 LYS 31 far 5 97 5 - 4.9-22.6 HA LYS 31 - HE3 LYS 26 far 5 94 5 - 4.7-17.0 HA ARG 23 - HE3 LYS 26 far 5 91 5 - 3.1-11.4 HA SER 74 - HE2 LYS 19 far 4 86 5 - 5.0-34.2 HA ALA 28 - HE2 LYS 19 far 3 67 5 - 5.0-20.5 HA GLN 27 - HE3 LYS 26 far 3 66 5 - 5.4-8.7 HA ALA 28 - HE2 LYS 26 far 3 64 5 - 4.7-11.0 HA ALA 28 - HE3 LYS 26 far 3 59 5 - 4.8-10.2 HA GLN 27 - HE3 LYS 31 far 0 76 0 - 5.5-14.7 HA ARG 23 - HE3 LYS 31 far 0 99 0 - 5.5-19.0 HA LYS 36 - HE2 LYS 36 far 0 88 0 - 5.6-6.5 HA ALA 15 - HE3 LYS 19 far 0 97 0 - 5.6-14.5 HA ALA 12 - HE2 LYS 19 far 0 91 0 - 5.8-19.1 HA THR 18 - HE2 LYS 24 far 0 97 0 - 5.8-15.2 HA GLN 27 - HE2 LYS 19 far 0 75 0 - 5.9-19.7 HA ALA 12 - HE3 LYS 19 far 0 91 0 - 6.0-19.5 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 6.1-21.9 HA THR 25 - HE2 LYS 24 far 0 83 0 - 6.1-9.0 HA THR 18 - HE2 LYS 19 far 0 96 0 - 6.1-8.5 HA ALA 28 - HE2 LYS 31 far 0 64 0 - 6.2-13.8 HA LYS 31 - HE2 LYS 26 far 0 98 0 - 6.2-16.8 HA GLN 27 - HE3 LYS 19 far 0 75 0 - 6.3-18.5 HA GLN 27 - HE2 LYS 26 far 0 72 0 - 6.3-9.1 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 6.3-24.0 HA ALA 21 - HE2 LYS 24 far 0 71 0 - 6.3-12.4 HA ALA 28 - HE3 LYS 19 far 0 67 0 - 6.3-20.7 HA LYS 26 - HE2 LYS 31 far 0 98 0 - 6.5-14.4 HA ARG 84 - HE3 LYS 86 far 0 46 0 - 6.5-8.3 HA SER 74 - HE3 LYS 19 far 0 86 0 - 6.5-33.5 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 95 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 98 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 93 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 97 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 93 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 56 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 7.5-25.7 HA GLN 61 - HE3 LYS 26 far 0 90 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-13.4 HA ALA 28 - HE3 LYS 31 far 0 68 0 - 7.6-13.7 HA ALA 21 - HE3 LYS 19 far 0 70 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 67 0 - 7.7-18.0 HA ALA 28 - HE2 LYS 24 far 0 68 0 - 7.7-15.7 HA ALA 28 - HE3 LYS 24 far 0 64 0 - 7.9-15.8 HA ALA 16 - HE2 LYS 31 far 0 97 0 - 7.9-24.3 HA LYS 31 - HE2 LYS 36 far 0 97 0 - 8.0-12.2 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 93 0 - 8.1-14.2 HA GLN 27 - HE3 LYS 24 far 0 72 0 - 8.3-14.2 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 84 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 95 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 62 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 93 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 98 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 70 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 97 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 67 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 98 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 89 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 100 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 71 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 87 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 89 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 83 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 88 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 95 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 93 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 92 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 98 0 - 10.0-41.1 HA GLN 27 - HE2 LYS 24 far 0 76 0 - 10.0-14.5 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 49 assignments used, quality = 1.00: HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.8-5.4 5.1=100 * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.1-5.4 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-4.4 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 1.9-4.8 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 1.9-5.1 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.1 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.0-4.7 4.8=100 HB ILE 80 + HE3 LYS 86 OK 69 69 100 100 1.9-5.1 ~11877=73, ~11243=72...(20) HG3 ARG 90 + HE3 LYS 86 OK 54 71 80 96 2.9-9.3 9651/9655=77...(5) HB2 ARG 23 - HE2 LYS 24 far 15 98 15 - 4.3-10.8 HB2 ARG 23 - HE3 LYS 24 far 14 95 15 - 4.4-10.1 HB2 LYS 24 - HE2 LYS 26 far 10 98 10 - 3.9-12.6 HB2 LYS 31 - HE2 LYS 26 far 10 98 10 - 4.5-15.1 HB2 ARG 23 - HE2 LYS 26 far 9 95 10 - 4.6-13.6 HB2 ARG 23 - HE2 LYS 31 far 9 95 10 - 5.5-19.9 HB2 LYS 31 - HE3 LYS 26 far 9 94 10 - 3.2-14.2 HB2 LYS 24 - HE3 LYS 26 far 9 94 10 - 3.2-10.9 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.0-19.9 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.1-22.2 HB2 LYS 19 - HE2 LYS 24 far 5 100 5 - 5.7-16.4 HB2 LYS 31 - HE3 LYS 19 far 5 100 5 - 5.1-19.0 HB2 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.6-19.1 HB2 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-20.1 HB2 ARG 23 - HE3 LYS 31 far 5 98 5 - 5.6-20.3 HB2 LYS 19 - HE3 LYS 24 far 5 98 5 - 6.2-16.4 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.1 HB2 ARG 23 - HE3 LYS 19 far 5 97 5 - 5.8-12.3 HB2 ARG 23 - HE3 LYS 26 far 4 90 5 - 5.4-12.0 HB2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.3-15.1 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.6-21.4 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-14.2 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 7.5-12.4 HB2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.5-13.7 HB2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.6-13.8 HB2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.2-21.4 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.4-21.0 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 8.4-16.6 HB2 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.5-14.6 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.8-21.2 HB2 LYS 39 - HE3 LYS 36 far 0 79 0 - 8.8-14.7 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 8.9-21.4 HB2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.0-21.3 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-17.3 HB2 LYS 19 - HE3 LYS 36 far 0 97 0 - 9.2-26.0 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.4-19.7 HG3 ARG 90 - HE2 LYS 19 far 0 99 0 - 9.7-39.1 HB2 ARG 23 - HE3 LYS 36 far 0 94 0 - 9.7-25.4 HB3 LEU 70 - HE2 LYS 19 far 0 59 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 879 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.38 A): 14 out of 71 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.5 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.4-4.7 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.3 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.6-5.3 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.9-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.5-5.4 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 56 56 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 33 100 35 94 5.1-9.8 10825=33, 10825/1.8=23...(41) HB ILE 32 + HE2 LYS 31 OK 27 98 30 93 5.0-10.0 10825/1.8=30, 10825=27...(35) HB ILE 32 + HE2 LYS 26 OK 24 98 25 100 4.9-16.7 10833/3.0=81, ~10767=46...(30) HB3 ARG 23 - HE2 LYS 24 far 15 99 15 - 4.3-10.0 HB3 ARG 23 - HE3 LYS 24 far 15 97 15 - 4.8-9.8 HB ILE 32 - HE3 LYS 26 far 14 94 15 - 4.6-16.1 HB3 LYS 19 - HE3 LYS 31 far 10 100 10 - 4.9-20.5 HB3 LYS 24 - HE2 LYS 26 far 10 98 10 - 2.3-11.2 HB ILE 32 - HE2 LYS 36 far 10 97 10 - 4.4-10.1 HB3 ARG 23 - HE2 LYS 26 far 10 97 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 9 94 10 - 2.2-9.7 HB3 ARG 23 - HE3 LYS 26 far 9 92 10 - 4.7-12.6 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 4.4-20.0 HB3 LYS 24 - HE3 LYS 31 far 5 100 5 - 5.6-21.1 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.4-20.0 HB3 ARG 23 - HE3 LYS 31 far 5 99 5 - 5.9-19.8 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB3 LYS 24 - HE2 LYS 31 far 5 98 5 - 5.0-21.5 HB3 LYS 31 - HE2 LYS 26 far 5 98 5 - 6.0-15.4 HB3 LYS 26 - HE2 LYS 31 far 5 98 5 - 5.9-13.4 HB3 LYS 19 - HE3 LYS 24 far 5 97 5 - 5.9-15.4 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 6.1-19.6 HB2 LYS 36 - HE2 LYS 26 far 5 97 5 - 6.2-21.1 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.6-20.4 HB ILE 32 - HE3 LYS 36 far 5 97 5 - 6.1-10.4 HB3 LYS 31 - HE3 LYS 26 far 5 94 5 - 4.8-15.1 HB2 LYS 36 - HE3 LYS 26 far 5 93 5 - 6.2-21.3 HB3 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 56 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 72 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 100 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 100 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 60 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 96 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 93 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 100 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 100 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 96 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 81 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 71 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 81 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 86 0 - 10.0-34.6 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 54 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.0 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.5-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.0-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 84 84 100 100 2.2-4.2 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 2.3-4.2 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 3.5-3.8 3.7=100 HG13 ILE 32 + HE3 LYS 31 OK 23 63 40 91 3.5-9.5 2.9/10825=22...(44) HG13 ILE 32 - HE2 LYS 31 poor 19 59 35 91 2.7-10.2 2.1/9008=19...(43) HG13 ILE 32 - HE2 LYS 26 poor 18 59 30 - 3.8-14.7 HG3 LYS 24 - HE2 LYS 26 far 9 95 10 - 4.0-12.7 HG13 ILE 32 - HE3 LYS 26 far 8 54 15 - 3.9-14.0 HG3 LYS 24 - HE3 LYS 31 far 5 98 5 - 5.9-22.5 HG3 LYS 24 - HE2 LYS 31 far 5 95 5 - 5.6-22.4 HG2 LYS 31 - HE3 LYS 26 far 5 94 5 - 4.3-16.8 HG3 LYS 36 - HE3 LYS 26 far 5 94 5 - 5.6-23.2 HG3 LYS 24 - HE3 LYS 26 far 4 90 5 - 4.4-11.8 HG2 LYS 26 - HE3 LYS 24 far 3 64 5 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 3 58 5 - 5.8-11.9 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-16.7 HG3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 81 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 64 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 85 0 - 6.7-20.3 HG2 LYS 31 - HE2 LYS 24 far 0 100 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 81 0 - 7.1-19.3 HG13 ILE 32 - HE3 LYS 19 far 0 62 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 68 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 100 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 98 0 - 7.2-12.8 HG13 ILE 32 - HE3 LYS 36 far 0 58 0 - 7.3-12.5 HG13 ILE 32 - HE2 LYS 19 far 0 62 0 - 7.3-22.7 HG2 LYS 26 - HE3 LYS 31 far 0 68 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 72 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 66 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.7-15.3 HG13 ILE 32 - HE3 LYS 24 far 0 59 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 63 0 - 7.8-22.7 HG2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 85 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 75 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 63 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 40 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 63 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 67 0 - 9.8-20.6 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 90 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.1-3.9 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-4.2 3.6=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-4.0 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 2.0-4.1 3.6=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.7-4.1 3.8=100 HG2 LYS 86 + HE3 LYS 86 OK 38 38 100 100 2.4-3.1 3.7=100 QB ALA 34 - HE2 LYS 26 poor 17 56 30 - 3.0-18.9 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 3.2-11.4 QB ALA 34 - HE3 LYS 26 poor 10 52 20 - 2.6-18.8 QB ALA 12 - HE3 LYS 19 far 7 67 10 - 3.8-17.0 QB ALA 12 - HE2 LYS 19 far 7 67 10 - 4.0-16.7 QB ALA 28 - HE2 LYS 19 far 5 100 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 3.2-17.3 QB ALA 16 - HE3 LYS 31 far 5 99 5 - 4.7-22.0 HG2 LYS 24 - HE3 LYS 31 far 5 98 5 - 4.3-21.5 QB ALA 28 - HE2 LYS 31 far 5 98 5 - 4.8-10.9 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.3-13.1 QB ALA 15 - HE2 LYS 31 far 5 98 5 - 4.7-19.7 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 4.9-20.9 QB ALA 29 - HE2 LYS 26 far 5 96 5 - 4.4-12.8 QB ALA 29 - HE2 LYS 31 far 5 96 5 - 4.7-10.3 HG2 LYS 24 - HE2 LYS 31 far 5 95 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 95 5 - 4.8-12.5 HG3 LYS 31 - HE3 LYS 26 far 5 94 5 - 5.2-15.5 HG2 LYS 24 - HE3 LYS 26 far 4 90 5 - 4.7-11.5 QB ALA 34 - HE2 LYS 24 far 3 60 5 - 4.5-27.4 QB ALA 34 - HE3 LYS 19 far 3 59 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 3 59 5 - 4.0-22.5 QB ALA 16 - HE3 LYS 19 lone 1 99 25 5 4.2-11.0 7141/7.3=2 QB ALA 16 - HE2 LYS 19 lone 1 99 25 5 3.3-11.4 7141/7.3=2 QB ALA 15 - HE3 LYS 31 far 0 100 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 92 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 94 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 99 0 - 5.3-10.3 QB ALA 34 - HE2 LYS 31 far 0 56 0 - 5.5-13.1 HG3 LYS 26 - HE2 LYS 31 far 0 98 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.7-10.5 QB ALA 34 - HE3 LYS 24 far 0 56 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 55 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 60 0 - 5.8-13.4 HG3 LYS 26 - HE2 LYS 24 far 0 100 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 90 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 90 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 100 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.2-20.2 QB ALA 34 - HE3 LYS 36 far 0 55 0 - 6.2-8.1 QB ALA 29 - HE2 LYS 36 far 0 95 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 100 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 95 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 99 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 88 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 98 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 96 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 100 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 92 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 93 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 68 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 99 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 98 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 88 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 100 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 98 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 97 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 82 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 64 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 64 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 63 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 59 0 - 9.8-29.7 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 94 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 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 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 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 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 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 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 24 far 5 99 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 5 96 5 - 3.7-14.5 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 96 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 92 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 99 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 97 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 92 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 96 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 99 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 97 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 96 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 99 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 56 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 99 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 69 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 61 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 98 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 99 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 99 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 95 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 98 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 96 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 99 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.9-20.9 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 94 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 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 24 far 5 100 5 - 4.9-15.0 HD2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.8-14.1 HD3 LYS 26 - HE3 LYS 24 far 5 98 5 - 3.7-14.5 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 93 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 93 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 94 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 97 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 100 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 98 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 98 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 99 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 51 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 100 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 71 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 94 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 100 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 56 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 97 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 94 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 96 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 86 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 86 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 89 0 - 9.9-20.9 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 - 3.1-13.3 HB2 LYS 36 - HA ILE 32 far 5 99 5 - 3.6-7.8 HB3 LYS 31 - HA ILE 32 far 0 100 0 - 5.1-5.9 HB3 LYS 19 - HA ILE 32 far 0 100 0 - 7.2-17.9 HB3 ARG 23 - HA ILE 32 far 0 99 0 - 7.4-20.0 HB3 LYS 24 - HA ILE 32 far 0 100 0 - 7.5-21.1 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 2.1-2.7 904=100, 6362/6360=51...(33) QD2 LEU 22 - HA ILE 32 far 0 100 0 - 5.1-20.5 Violated in 0 structures by 0.00 A. Peak 891 from aliabs.peaks (1.15, 4.11, 60.96 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HA ILE 32 OK 100 100 100 100 2.3-2.9 912=93, 1.8/892=68...(26) QG2 THR 18 - HA ILE 32 far 0 97 0 - 5.3-19.6 QG2 THR 25 - HA ILE 32 far 0 76 0 - 5.4-14.8 QB ALA 41 - HA ILE 32 far 0 78 0 - 7.1-12.2 Violated in 0 structures by 0.00 A. Peak 892 from aliabs.peaks (1.43, 4.11, 60.96 ppm; 3.34 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HA ILE 32 OK 100 100 100 100 2.2-3.5 920=84, 1.8/891=73...(26) HG2 LYS 26 - HA ILE 32 far 15 100 15 - 2.0-15.3 HG2 LYS 31 - HA ILE 32 far 0 63 0 - 4.4-6.8 QB ALA 34 - HA ILE 32 far 0 93 0 - 4.8-7.3 HG3 LYS 19 - HA ILE 32 far 0 98 0 - 7.0-20.0 HG3 LYS 24 - HA ILE 32 far 0 85 0 - 8.0-22.4 Violated in 15 structures by 0.08 A. Peak 893 from aliabs.peaks (0.77, 4.11, 60.96 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + HA ILE 32 OK 100 100 100 100 3.3-3.9 928=100, 2.1/891=70...(25) QD1 ILE 37 - HA ILE 32 far 0 100 0 - 5.3-6.9 Violated in 19 structures by 0.32 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 - 5.2-21.2 Violated in 0 structures by 0.00 A. Peak 899 from aliabs.peaks (1.15, 1.81, 38.56 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 100 100 2.4-3.0 2.9=100 QG2 THR 25 - HB ILE 32 far 0 76 0 - 5.6-14.9 QG2 THR 18 - HB ILE 32 far 0 97 0 - 7.6-22.0 QB ALA 41 - HB ILE 32 far 0 78 0 - 7.8-11.6 Violated in 0 structures by 0.00 A. Peak 900 from aliabs.peaks (1.43, 1.81, 38.56 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 26 - HB ILE 32 far 10 100 10 - 4.2-14.8 QB ALA 34 - HB ILE 32 far 0 93 0 - 4.5-7.8 HG3 LYS 19 - HB ILE 32 far 0 98 0 - 6.2-22.5 HG2 LYS 31 - HB ILE 32 far 0 63 0 - 6.5-8.3 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 2.4-2.8 3.2=100 QD1 ILE 37 - HB ILE 32 far 0 100 0 - 5.5-7.2 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 6 assignments used, quality = 1.00: * HA ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.1-2.7 890=88, 6360/6362=47...(33) HA PHE 89 + QG2 ILE 129 OK 21 37 90 64 2.9-4.2 2897/9946=22...(15) HA ILE 80 - QG2 ILE 129 far 0 44 0 - 7.2-8.9 HA CYS 45 - QG2 ILE 129 far 0 53 0 - 8.1-9.3 HA CYS 45 - QG2 ILE 32 far 0 99 0 - 8.5-16.5 HA CYS 79 - QG2 ILE 32 far 0 100 0 - 9.1-13.9 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 HB3 LYS 26 - QG2 ILE 32 far 5 100 5 - 3.4-11.8 HB2 LYS 36 - QG2 ILE 32 far 5 99 5 - 2.4-6.3 HB VAL 93 - QG2 ILE 129 far 0 44 0 - 4.0-5.4 HB3 LYS 19 - QG2 ILE 32 far 0 100 0 - 4.5-16.9 HB3 LYS 24 - QG2 ILE 32 far 0 100 0 - 6.5-18.1 HB3 LYS 31 - QG2 ILE 32 far 0 100 0 - 6.5-7.1 HB3 ARG 23 - QG2 ILE 32 far 0 99 0 - 6.8-17.7 HB2 LYS 86 - QG2 ILE 129 far 0 44 0 - 8.2-9.3 HB3 ARG 135 - QG2 ILE 129 far 0 53 0 - 8.5-10.3 HB2 LEU 100 - QG2 ILE 129 far 0 50 0 - 8.6-11.5 HB2 CYS 79 - QG2 ILE 129 far 0 41 0 - 8.9-10.0 HB3 LEU 122 - QG2 ILE 129 far 0 38 0 - 9.2-10.9 HB2 CYS 79 - QG2 ILE 32 far 0 85 0 - 9.4-12.4 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 2.5-3.2 3.2=72, 2.1/930=64...(27) QG2 VAL 132 + QG2 ILE 129 OK 28 47 65 92 3.3-4.1 11736=28, 10477/3.2=27...(23) QG2 THR 25 - QG2 ILE 32 far 0 76 0 - 4.2-12.5 QG1 VAL 132 - QG2 ILE 129 far 0 31 0 - 4.4-5.0 QB ALA 41 - QG2 ILE 32 far 0 78 0 - 4.8-9.4 QG2 THR 18 - QG2 ILE 32 far 0 97 0 - 5.4-17.8 HG3 LYS 39 - QG2 ILE 129 far 0 53 0 - 6.4-8.1 HG2 LYS 39 - QG2 ILE 129 far 0 41 0 - 6.7-8.6 QB ALA 41 - QG2 ILE 129 far 0 37 0 - 7.3-8.3 Violated in 1 structures by 0.00 A. Peak 908 from aliabs.peaks (1.43, 0.84, 17.13 ppm; 2.88 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.6-3.2 3.2=74, 1.8/907=68...(28) QB ALA 34 + QG2 ILE 32 OK 64 93 85 80 2.5-5.7 6364/6362=32...(11) QB ALA 92 + QG2 ILE 129 OK 27 55 50 97 3.5-4.5 9946=50, 10491/3.0=40...(21) HG2 LYS 26 - QG2 ILE 32 poor 20 100 20 - 2.7-13.4 HG3 LYS 19 - QG2 ILE 32 far 0 98 0 - 3.8-18.6 HG2 LYS 31 - QG2 ILE 32 far 0 63 0 - 5.7-7.9 HG3 LYS 24 - QG2 ILE 32 far 0 85 0 - 7.1-19.4 HG2 LYS 86 - QG2 ILE 129 far 0 46 0 - 7.4-8.3 Violated in 3 structures by 0.02 A. Peak 909 from aliabs.peaks (0.77, 0.84, 17.13 ppm; 2.93 A): 3 out of 15 assignments used, quality = 1.00: * QD1 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.7-1.9 930=100, 2.1/907=63...(31) HG12 ILE 129 + QG2 ILE 129 OK 36 37 100 98 2.7-3.2 3.2=77, 2.1/4163=56...(18) QD2 LEU 96 + QG2 ILE 129 OK 25 41 75 82 2.9-4.4 4164/3.0=21...(29) QD1 ILE 37 - QG2 ILE 32 far 15 100 15 - 3.2-5.3 QG1 VAL 93 - QG2 ILE 129 far 6 42 15 - 3.8-5.0 QD2 LEU 43 - QG2 ILE 129 far 5 34 15 - 3.5-5.1 QD1 LEU 96 - QG2 ILE 129 far 0 54 0 - 4.9-6.3 QD2 LEU 49 - QG2 ILE 129 far 0 27 0 - 5.9-8.5 QD2 LEU 122 - QG2 ILE 129 far 0 42 0 - 6.2-9.8 QD1 LEU 53 - QG2 ILE 129 far 0 32 0 - 7.9-11.3 QD1 ILE 37 - QG2 ILE 129 far 0 56 0 - 8.2-9.4 QD2 LEU 49 - QG2 ILE 32 far 0 60 0 - 8.7-16.8 QG1 VAL 63 - QG2 ILE 32 far 0 93 0 - 9.5-17.2 QD1 LEU 96 - QG2 ILE 32 far 0 100 0 - 9.8-16.4 QD2 LEU 96 - QG2 ILE 32 far 0 85 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 912 from aliabs.peaks (4.11, 1.15, 27.21 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.3-2.9 891=100, 892/1.8=73...(28) Violated in 0 structures by 0.00 A. Peak 913 from aliabs.peaks (1.81, 1.15, 27.21 ppm; 3.44 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 26 - HG12 ILE 32 far 15 100 15 - 3.3-11.4 HB2 LYS 36 - HG12 ILE 32 far 0 99 0 - 4.9-9.6 HB3 LYS 19 - HG12 ILE 32 far 0 100 0 - 4.9-18.7 HB3 LYS 31 - HG12 ILE 32 far 0 100 0 - 5.2-6.7 HB3 ARG 23 - HG12 ILE 32 far 0 99 0 - 5.5-18.6 HB3 LYS 24 - HG12 ILE 32 far 0 100 0 - 6.7-19.0 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 2.5-3.2 3.2=100 QD2 LEU 22 - HG12 ILE 32 far 5 100 5 - 3.1-19.1 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 10 100 10 - 2.5-13.2 HG2 LYS 31 - HG12 ILE 32 far 0 63 0 - 4.5-8.1 QB ALA 34 - HG12 ILE 32 far 0 93 0 - 5.3-9.0 HG3 LYS 19 - HG12 ILE 32 far 0 98 0 - 5.4-19.8 HG3 LYS 24 - HG12 ILE 32 far 0 85 0 - 7.8-20.5 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 - 6.3-8.7 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 2.2-3.5 892=100, 891/1.8=81...(26) 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 7 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 26 - HG13 ILE 32 far 5 100 5 - 3.5-10.8 HB3 LYS 31 - HG13 ILE 32 far 0 100 0 - 5.0-7.3 HB3 LYS 19 - HG13 ILE 32 far 0 100 0 - 5.4-19.7 HB3 ARG 23 - HG13 ILE 32 far 0 99 0 - 6.1-19.3 HB2 LYS 36 - HG13 ILE 32 far 0 99 0 - 6.1-8.9 HB3 LYS 24 - HG13 ILE 32 far 0 100 0 - 8.3-19.3 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 2.6-3.2 3.2=100 QD2 LEU 22 - HG13 ILE 32 far 5 100 5 - 4.1-19.2 Violated in 0 structures by 0.00 A. Peak 923 from aliabs.peaks (1.15, 1.43, 27.21 ppm; 2.53 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 25 - HG13 ILE 32 far 0 76 0 - 6.1-13.1 QG2 THR 18 - HG13 ILE 32 far 0 97 0 - 7.4-21.8 QB ALA 41 - HG13 ILE 32 far 0 78 0 - 8.0-13.6 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 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 928 from aliabs.peaks (4.11, 0.77, 12.40 ppm; 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.3-3.9 893=91, 891/2.1=66...(25) HA ILE 32 - QD1 ILE 37 far 0 76 0 - 5.3-6.9 HA CYS 79 - QD1 ILE 37 far 0 76 0 - 7.5-10.8 HA CYS 45 - QD1 ILE 32 far 0 99 0 - 7.5-18.9 HA CYS 45 - QD1 ILE 37 far 0 74 0 - 8.9-10.5 HA ILE 80 - QD1 ILE 37 far 0 61 0 - 9.4-11.7 Violated in 19 structures by 0.43 A. Peak 929 from aliabs.peaks (1.81, 0.77, 12.40 ppm; 3.05 A): 2 out of 14 assignments used, quality = 1.00: * HB ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.4-2.8 3.2=84, 2.1/930=71...(30) HB2 LYS 36 + QD1 ILE 37 OK 68 74 100 92 3.3-3.9 6404/6417=32...(19) HB3 LYS 26 - QD1 ILE 32 far 15 100 15 - 1.9-9.5 HB3 LYS 19 - QD1 ILE 32 far 5 100 5 - 2.7-17.6 HB2 LYS 36 - QD1 ILE 32 far 0 99 0 - 4.7-8.1 HB3 ARG 23 - QD1 ILE 32 far 0 99 0 - 5.3-16.1 HB ILE 32 - QD1 ILE 37 far 0 76 0 - 5.5-7.2 HB3 LYS 19 - QD1 ILE 37 far 0 75 0 - 5.5-19.3 HB3 LYS 31 - QD1 ILE 32 far 0 100 0 - 5.8-7.6 HB3 LYS 24 - QD1 ILE 32 far 0 100 0 - 5.9-15.9 HB2 CYS 79 - QD1 ILE 37 far 0 58 0 - 6.6-9.1 HB3 LYS 26 - QD1 ILE 37 far 0 75 0 - 6.9-17.7 HB3 ARG 23 - QD1 ILE 37 far 0 74 0 - 8.9-21.9 HB3 LYS 31 - QD1 ILE 37 far 0 76 0 - 9.3-11.3 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 14 assignments used, quality = 1.00: * QG2 ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.7-1.9 909=100, 907/2.1=63...(31) QG2 ILE 32 - QD1 ILE 37 far 11 76 15 - 3.2-5.3 QD2 LEU 22 - QD1 ILE 32 far 5 100 5 - 2.1-16.4 QD1 LEU 70 - QD1 ILE 37 far 0 43 0 - 7.3-9.7 QD2 LEU 69 - QD1 ILE 37 far 0 43 0 - 7.5-9.0 QG2 ILE 129 - QD1 ILE 37 far 0 65 0 - 8.2-9.4 QD1 LEU 70 - QD1 ILE 32 far 0 65 0 - 8.2-17.1 QD2 LEU 70 - QD1 ILE 32 far 0 87 0 - 8.4-17.4 QG1 VAL 133 - QD1 ILE 37 far 0 76 0 - 8.4-9.3 QD2 LEU 70 - QD1 ILE 37 far 0 60 0 - 8.4-10.2 QD2 LEU 69 - QD1 ILE 32 far 0 65 0 - 8.4-16.4 HG13 ILE 80 - QD1 ILE 37 far 0 43 0 - 8.6-12.8 QD2 LEU 22 - QD1 ILE 37 far 0 76 0 - 9.0-20.8 QG2 ILE 80 - QD1 ILE 37 far 0 49 0 - 9.7-11.5 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 9 assignments used, quality = 1.00: * HG12 ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 - QD1 ILE 32 far 4 76 5 - 3.5-10.5 QB ALA 41 - QD1 ILE 37 far 0 52 0 - 3.9-4.8 QB ALA 41 - QD1 ILE 32 far 0 78 0 - 5.3-11.3 QG2 THR 18 - QD1 ILE 32 far 0 97 0 - 6.1-18.9 HG12 ILE 32 - QD1 ILE 37 far 0 76 0 - 6.3-8.7 QG2 THR 18 - QD1 ILE 37 far 0 70 0 - 6.8-18.6 QG2 THR 25 - QD1 ILE 37 far 0 51 0 - 7.5-16.1 HG3 LYS 39 - QD1 ILE 37 far 0 74 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 932 from aliabs.peaks (1.43, 0.77, 12.40 ppm; 2.75 A): 2 out of 11 assignments used, quality = 1.00: * HG13 ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 34 + QD1 ILE 37 OK 48 66 75 98 3.3-4.3 2.1/10873=39...(25) HG2 LYS 26 - QD1 ILE 32 poor 9 100 35 27 1.9-11.0 1.8/10704=9, 3.6/9008=7...(7) HG3 LYS 19 - QD1 ILE 32 far 5 98 5 - 3.0-17.6 QB ALA 34 - QD1 ILE 32 far 5 93 5 - 3.2-8.0 HG2 LYS 31 - QD1 ILE 32 far 0 63 0 - 5.3-8.4 HG2 LYS 26 - QD1 ILE 37 far 0 76 0 - 5.8-18.8 HG3 LYS 19 - QD1 ILE 37 far 0 72 0 - 6.5-20.9 HG13 ILE 32 - QD1 ILE 37 far 0 76 0 - 6.9-8.9 HG3 LYS 24 - QD1 ILE 32 far 0 85 0 - 7.0-17.4 HG2 LYS 31 - QD1 ILE 37 far 0 41 0 - 8.0-11.3 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 11 assignments used, quality = 1.00: * HB2 SER 33 + HA SER 33 OK 100 100 100 100 2.6-3.0 3.0=94, 1.8/946=68...(15) HB2 SER 107 + HA SER 107 OK 55 56 100 97 2.3-3.0 3.0=95, 7556/7555=27...(5) HA2 GLY 111 - HA SER 107 far 0 38 0 - 4.0-11.1 HB2 SER 60 - HA SER 107 far 0 62 0 - 4.8-11.3 HB3 SER 60 - HA SER 107 far 0 62 0 - 5.7-11.4 HA2 GLY 114 - HA SER 107 far 0 37 0 - 7.1-15.8 HA3 GLY 14 - HA SER 9 far 0 60 0 - 7.9-17.4 HA2 GLY 14 - HA SER 9 far 0 61 0 - 8.4-17.2 HA ALA 41 - HA SER 33 far 0 99 0 - 8.6-13.1 HA3 GLY 75 - HA SER 33 far 0 93 0 - 8.6-13.1 HD3 PRO 113 - HA SER 107 far 0 30 0 - 9.5-14.1 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 2.6-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 42 42 100 100 2.3-3.0 3.0=100 HD2 PRO 117 - HA SER 107 far 0 44 0 - 6.8-14.8 HA LEU 62 - HA SER 107 far 0 62 0 - 9.0-13.0 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 8 assignments used, quality = 1.00: * HA SER 33 + HB2 SER 33 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 107 + HB2 SER 107 OK 72 72 100 100 2.3-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 0 40 0 - 7.6-16.4 HA VAL 112 - HB2 SER 107 far 0 40 0 - 8.0-14.1 HA PRO 117 - HB2 SER 107 far 0 38 0 - 8.2-18.2 HA THR 115 - HB2 SER 107 far 0 69 0 - 8.2-18.8 HA ASP 71 - HB2 SER 33 far 0 73 0 - 8.2-12.8 HA CYS 73 - HB2 SER 94 far 0 62 0 - 9.6-11.0 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 4 assignments used, quality = 1.00: * HB3 SER 33 + HB2 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HB2 SER 107 far 0 53 0 - 6.9-17.0 HA LEU 62 - HB2 SER 107 far 0 72 0 - 8.3-15.9 HD3 PRO 58 - HB2 SER 107 far 0 58 0 - 9.7-16.7 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 2 assignments used, quality = 1.00: * HA SER 33 + HB3 SER 33 OK 100 100 100 100 2.6-3.0 3.0=98, 937/1.8=44...(15) HA ASP 71 - HB3 SER 33 far 0 73 0 - 7.4-12.2 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 5 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 - 6.7-11.4 HA ALA 41 - HB3 SER 33 far 0 99 0 - 8.4-13.2 HA3 GLY 14 - HB3 SER 33 far 0 96 0 - 9.5-32.4 HA2 GLY 14 - HB3 SER 33 far 0 97 0 - 10.0-32.3 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 6 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 19 - HA ALA 34 far 0 76 0 - 5.6-25.7 QB ALA 16 - HA ALA 34 far 0 76 0 - 5.7-26.7 HG2 LYS 26 - HA ALA 34 far 0 90 0 - 5.9-21.5 HG13 ILE 32 - HA ALA 34 far 0 93 0 - 6.8-9.6 HG3 LYS 31 - HA ALA 34 far 0 60 0 - 9.6-12.7 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 HB3 SER 38 - QB ALA 34 far 0 100 0 - 4.1-9.0 HB THR 25 - QB ALA 34 far 0 71 0 - 4.6-20.1 HA ALA 29 - QB ALA 34 far 0 95 0 - 6.1-11.7 HA GLU 30 - QB ALA 34 far 0 100 0 - 9.2-11.0 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 2.6-2.9 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 2.4-2.9 3.0=95, 6390/6388=33...(7) HB3 ASP 78 - HA ASP 35 far 0 100 0 - 9.4-17.1 Violated in 0 structures by 0.00 A. Peak 964 from aliabs.peaks (4.51, 2.65, 40.26 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HB2 ASP 35 OK 100 100 100 100 2.6-2.9 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 2.4-2.9 3.0=100 HA ASP 35 - HB3 ASP 78 far 0 57 0 - 9.4-17.1 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 23 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LYS 31 + HA LYS 31 OK 55 55 100 100 2.3-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.3-2.6 3.0=100 HB3 LYS 19 + HA LYS 19 OK 50 50 100 100 2.5-2.7 3.0=100 HB3 ARG 23 - HA LYS 26 far 3 51 5 - 4.3-10.0 HB3 LYS 26 - HA LYS 31 far 0 56 0 - 4.7-14.3 HB3 LYS 24 - HA LYS 26 far 0 51 0 - 4.9-8.3 HB ILE 32 - HA LYS 31 far 0 55 0 - 4.9-6.1 HB3 LYS 24 - HA LYS 19 far 0 53 0 - 5.5-15.6 HB3 LYS 31 - HA LYS 26 far 0 50 0 - 5.5-13.2 HB3 LYS 31 - HA LYS 19 far 0 53 0 - 5.7-18.7 HB3 ARG 23 - HA LYS 19 far 0 54 0 - 5.8-12.2 HB3 LYS 19 - HA LYS 26 far 0 47 0 - 5.9-14.9 HB ILE 32 - HA LYS 36 far 0 99 0 - 6.3-9.9 HB2 LYS 36 - HA LYS 31 far 0 56 0 - 7.3-9.9 HB ILE 32 - HA LYS 19 far 0 52 0 - 7.7-22.7 HB ILE 32 - HA LYS 26 far 0 49 0 - 7.8-14.9 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.8-20.0 HB3 LYS 19 - HA LYS 31 far 0 52 0 - 8.1-18.5 HB3 LYS 26 - HA LYS 19 far 0 54 0 - 8.1-17.7 HB2 CYS 79 - HA LYS 36 far 0 95 0 - 8.6-13.1 HB2 LYS 36 - HA LYS 19 far 0 54 0 - 9.3-24.8 HB3 LYS 24 - HA LYS 31 far 0 56 0 - 9.3-20.9 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 3 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 GLU 40 - HA LYS 36 far 0 92 0 - 6.1-12.1 HB3 LYS 36 - HA LYS 31 far 0 56 0 - 7.4-11.0 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 34 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.9-3.8 4.1=72, 6394/3.0=58...(29) HG3 LYS 31 + HA LYS 31 OK 55 55 100 99 2.1-3.7 3.8=92, 1.8/822=28...(22) HG3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.5-3.8 4.0=77, 6253/2.9=60...(31) HG2 LYS 19 + HA LYS 19 OK 49 50 100 99 3.5-3.7 4.2=71, 6151/3.0=40...(40) QB ALA 28 - HA LYS 26 far 5 50 10 - 4.5-7.6 HG2 LYS 24 - HA LYS 19 far 3 53 5 - 4.2-13.3 QB ALA 28 - HA LYS 19 far 3 53 5 - 4.2-16.4 HG3 LYS 31 - HA LYS 19 far 3 53 5 - 3.8-19.8 HG3 LYS 31 - HA LYS 26 far 0 50 0 - 4.7-12.7 QB ALA 15 - HA LYS 19 far 0 54 0 - 4.7-11.8 QB ALA 29 - HA LYS 36 far 0 100 0 - 4.9-11.6 QB ALA 29 - HA LYS 26 far 0 51 0 - 5.2-10.0 QB ALA 16 - HA LYS 19 far 0 49 0 - 5.3-9.1 QB ALA 16 - HA LYS 31 far 0 51 0 - 5.6-21.8 QB ALA 28 - HA LYS 31 far 0 55 0 - 5.6-7.9 QB ALA 29 - HA LYS 31 far 0 56 0 - 5.8-7.6 HG3 LYS 26 - HA LYS 31 far 0 56 0 - 6.6-15.0 QB ALA 12 - HA LYS 19 far 0 37 0 - 6.7-17.3 HG2 LYS 24 - HA LYS 31 far 0 55 0 - 6.9-20.8 HG2 LYS 24 - HA LYS 26 far 0 50 0 - 7.2-9.6 QB ALA 29 - HA LYS 19 far 0 54 0 - 7.3-18.3 QB ALA 15 - HA LYS 31 far 0 56 0 - 7.8-21.9 QB ALA 16 - HA LYS 26 far 0 46 0 - 8.1-18.7 HB2 LEU 42 - HA LYS 36 far 0 99 0 - 8.2-12.0 QB ALA 15 - HA LYS 26 far 0 51 0 - 8.2-21.5 QB ALA 16 - HA LYS 36 far 0 97 0 - 8.3-29.6 HG3 LYS 26 - HA LYS 19 far 0 54 0 - 8.3-18.5 HG2 LYS 36 - HA LYS 31 far 0 56 0 - 8.4-12.7 HG2 LYS 19 - HA LYS 26 far 0 47 0 - 8.6-16.3 HG3 LYS 26 - HA LYS 36 far 0 100 0 - 8.8-20.2 HG2 LYS 19 - HA LYS 31 far 0 52 0 - 9.1-20.6 QB ALA 28 - HA LYS 36 far 0 100 0 - 9.6-14.8 HG3 LYS 31 - HA LYS 36 far 0 100 0 - 9.7-14.2 QB ALA 12 - HA LYS 31 far 0 39 0 - 9.8-28.1 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 17 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.5-3.8 4.1=100 HG2 LYS 31 + HA LYS 31 OK 56 56 100 100 2.2-4.2 3.8=100 HG3 LYS 19 + HA LYS 19 OK 37 37 100 100 3.8-4.2 4.2=98, 6152/3.0=40...(40) HG2 LYS 26 + HA LYS 26 OK 26 26 100 100 3.4-4.2 4.0=100 HG2 LYS 31 - HA LYS 19 far 3 54 5 - 3.6-20.1 HG2 LYS 31 - HA LYS 26 far 0 51 0 - 5.2-13.1 HG2 LYS 26 - HA LYS 31 far 0 28 0 - 5.5-15.2 HG3 LYS 24 - HA LYS 19 far 0 49 0 - 5.7-13.9 HG3 LYS 24 - HA LYS 26 far 0 46 0 - 7.1-9.9 HG3 LYS 36 - HA LYS 31 far 0 56 0 - 7.6-11.7 HG3 LYS 24 - HA LYS 31 far 0 51 0 - 7.8-22.0 HG3 LYS 19 - HA LYS 26 far 0 35 0 - 8.0-16.1 HG2 LYS 26 - HA LYS 36 far 0 63 0 - 8.0-20.6 HG2 LYS 31 - HA LYS 36 far 0 100 0 - 8.1-14.6 HG2 LYS 26 - HA LYS 19 far 0 27 0 - 8.6-19.4 HG LEU 42 - HA LYS 36 far 0 63 0 - 8.6-13.2 HG3 LYS 19 - HA LYS 31 far 0 39 0 - 9.3-20.3 Violated in 0 structures by 0.00 A. Peak 979 from aliabs.peaks (1.66, 4.28, 56.59 ppm; 4.35 A): 8 out of 36 assignments used, quality = 1.00: HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 4.1-5.2 5.3=56, 1042/3.0=39...(30) * HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.2-5.0 5.3=56, 1042/3.0=39...(30) HD3 LYS 31 + HA LYS 31 OK 55 55 100 100 2.0-4.8 5.2=58, ~6331=31...(35) HD2 LYS 31 + HA LYS 31 OK 54 54 100 99 2.0-4.9 5.2=58, 6335/3.0=31...(35) HD3 LYS 26 + HA LYS 26 OK 51 51 100 99 2.5-5.2 5.0=67, ~6253=36...(32) HD2 LYS 19 + HA LYS 19 OK 40 48 85 99 3.6-5.5 5.2=60, ~6151=25...(43) HD3 LYS 19 + HA LYS 19 OK 38 46 85 99 3.9-5.5 5.2=60, ~6151=25...(41) HD2 LYS 26 + HA LYS 26 OK 33 51 65 99 3.8-5.5 5.0=67, ~6253=36...(32) HD3 LYS 26 - HA LYS 31 far 6 56 10 - 5.0-16.1 HD2 LYS 26 - HA LYS 31 far 3 56 5 - 3.8-16.5 HD3 LYS 31 - HA LYS 19 far 3 53 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 3 52 5 - 3.8-21.0 HD2 LYS 24 - HA LYS 19 far 0 54 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 50 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 50 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 50 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 56 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 49 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 48 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 99 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 48 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 100 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 100 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 100 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 53 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 56 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 56 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 45 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 51 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 54 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 54 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 89 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 43 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 53 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 54 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 85 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 980 from aliabs.peaks (1.66, 4.28, 56.59 ppm; 4.35 A): 8 out of 36 assignments used, quality = 1.00: * HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 4.1-5.2 5.3=56, 1042/3.0=39...(30) HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.2-5.0 5.3=56, 1042/3.0=39...(30) HD3 LYS 31 + HA LYS 31 OK 55 56 100 100 2.0-4.8 5.2=58, ~6331=31...(35) HD2 LYS 31 + HA LYS 31 OK 54 55 100 99 2.0-4.9 5.2=58, 6335/3.0=31...(35) HD3 LYS 26 + HA LYS 26 OK 51 51 100 99 2.5-5.2 5.0=67, ~6253=36...(32) HD2 LYS 19 + HA LYS 19 OK 41 49 85 99 3.6-5.5 5.2=60, ~6151=25...(43) HD3 LYS 19 + HA LYS 19 OK 39 47 85 99 3.9-5.5 5.2=60, ~6151=25...(41) HD2 LYS 26 + HA LYS 26 OK 33 51 65 99 3.8-5.5 5.0=67, ~6253=36...(32) HD3 LYS 26 - HA LYS 31 far 6 56 10 - 5.0-16.1 HD2 LYS 26 - HA LYS 31 far 3 56 5 - 3.8-16.5 HD3 LYS 31 - HA LYS 19 far 3 53 5 - 2.1-21.0 HD2 LYS 31 - HA LYS 19 far 3 52 5 - 3.8-21.0 HD2 LYS 24 - HA LYS 19 far 0 54 0 - 6.1-16.0 HD3 LYS 24 - HA LYS 19 far 0 51 0 - 6.6-15.8 HD2 LYS 19 - HA LYS 31 far 0 51 0 - 6.6-20.6 HD3 LYS 31 - HA LYS 26 far 0 51 0 - 6.9-14.5 HD2 LYS 36 - HA LYS 31 far 0 56 0 - 7.2-10.8 HD2 LYS 31 - HA LYS 26 far 0 49 0 - 7.2-14.5 HD3 LYS 24 - HA LYS 26 far 0 48 0 - 7.3-10.3 HD2 LYS 31 - HA LYS 36 far 0 99 0 - 7.5-14.9 HD3 LYS 19 - HA LYS 31 far 0 49 0 - 7.5-21.8 HD3 LYS 26 - HA LYS 36 far 0 100 0 - 7.8-21.2 HD3 LYS 31 - HA LYS 36 far 0 100 0 - 8.1-15.3 HD2 LYS 26 - HA LYS 36 far 0 100 0 - 8.3-21.8 HD2 LYS 26 - HA LYS 19 far 0 54 0 - 8.7-20.6 HD2 LYS 24 - HA LYS 31 far 0 56 0 - 8.7-21.9 HD3 LYS 36 - HA LYS 31 far 0 56 0 - 8.8-12.3 HD2 LYS 19 - HA LYS 26 far 0 46 0 - 8.9-18.0 HD2 LYS 24 - HA LYS 26 far 0 51 0 - 8.9-11.0 HD2 LYS 36 - HA LYS 19 far 0 54 0 - 9.0-24.1 HD3 LYS 26 - HA LYS 19 far 0 54 0 - 9.1-19.9 HD2 LYS 39 - HA LYS 36 far 0 87 0 - 9.1-14.4 HD3 LYS 19 - HA LYS 26 far 0 44 0 - 9.1-18.3 HD3 LYS 24 - HA LYS 31 far 0 53 0 - 9.5-22.5 HD3 LYS 36 - HA LYS 19 far 0 54 0 - 9.7-25.1 HG LEU 43 - HA LYS 36 far 0 87 0 - 9.8-13.7 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 45 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 74 74 100 100 2.3-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 67 67 100 100 2.3-2.6 3.0=100 HA LYS 19 + HB3 LYS 19 OK 60 60 100 100 2.5-2.7 3.0=100 HA ARG 23 - HB3 LYS 31 far 4 83 5 - 3.9-17.1 HA THR 25 - HB3 LYS 24 far 4 79 5 - 4.2-5.4 HA ARG 23 - HB3 LYS 24 far 4 79 5 - 4.4-6.5 HA LEU 22 - HB3 LYS 24 far 3 62 5 - 3.4-7.5 HA ARG 23 - HB3 LYS 26 far 0 79 0 - 4.5-10.3 HA LYS 31 - HB3 LYS 26 far 0 71 0 - 4.7-14.3 HA LYS 26 - HB3 LYS 24 far 0 68 0 - 4.9-8.3 HA ALA 16 - HB3 LYS 19 far 0 65 0 - 4.9-10.4 HA LYS 19 - HB3 LYS 24 far 0 72 0 - 5.5-15.6 HA LYS 26 - HB3 LYS 31 far 0 71 0 - 5.5-13.2 HA LEU 22 - HB3 LYS 31 far 0 66 0 - 5.5-22.2 HA THR 25 - HB3 LYS 26 far 0 79 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 76 0 - 5.7-18.7 HA ARG 23 - HB3 LYS 19 far 0 66 0 - 5.8-10.2 HA THR 18 - HB3 LYS 19 far 0 68 0 - 5.9-6.6 HA LYS 26 - HB3 LYS 19 far 0 56 0 - 5.9-14.9 HA GLN 61 - HB3 LYS 24 far 0 80 0 - 6.3-39.4 HA ALA 16 - HB3 LYS 31 far 0 81 0 - 6.8-22.8 HA ALA 21 - HB3 LYS 19 far 0 62 0 - 7.0-8.3 HA THR 18 - HB3 LYS 31 far 0 84 0 - 7.0-22.3 HA ALA 12 - HB3 LYS 19 far 0 68 0 - 7.2-22.4 HA ALA 21 - HB3 LYS 24 far 0 75 0 - 7.3-10.7 HA LYS 31 - HB2 LYS 36 far 0 93 0 - 7.3-9.9 HA ALA 15 - HB3 LYS 19 far 0 67 0 - 7.5-13.6 HA ALA 21 - HB3 LYS 31 far 0 78 0 - 7.8-22.1 HA TYR 76 - HB3 LYS 19 far 0 44 0 - 7.8-29.8 HA LYS 31 - HB3 LYS 19 far 0 58 0 - 8.1-18.5 HA LYS 19 - HB3 LYS 26 far 0 72 0 - 8.1-17.7 HA THR 25 - HB3 LYS 31 far 0 83 0 - 8.1-15.3 HA SER 74 - HB3 LYS 19 far 0 67 0 - 8.3-30.7 HA LEU 22 - HB3 LYS 19 far 0 51 0 - 8.5-10.5 HA ALA 15 - HB3 LYS 31 far 0 83 0 - 8.9-23.5 HA THR 18 - HB3 LYS 24 far 0 81 0 - 9.0-14.8 HA TYR 76 - HB2 LYS 36 far 0 76 0 - 9.1-11.6 HA THR 25 - HB3 LYS 19 far 0 66 0 - 9.2-16.1 HA LYS 19 - HB2 LYS 36 far 0 95 0 - 9.3-24.8 HA LYS 31 - HB3 LYS 24 far 0 71 0 - 9.3-20.9 HA THR 25 - HB2 LYS 36 far 0 99 0 - 9.5-19.2 HA LEU 22 - HB3 LYS 26 far 0 62 0 - 9.6-14.2 HA ALA 21 - HB3 LYS 26 far 0 74 0 - 9.6-15.6 HA GLN 61 - HB3 LYS 26 far 0 80 0 - 9.9-37.8 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 5 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 36 - HB3 LYS 31 far 0 85 0 - 8.4-13.2 HB3 LEU 48 - HB3 LYS 24 far 0 76 0 - 8.7-37.5 HB2 GLU 40 - HB2 LYS 36 far 0 92 0 - 8.7-13.4 HB3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.8-19.0 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 42 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.7-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 80 80 100 100 2.7-3.0 2.9=100 HG2 LYS 19 + HB3 LYS 19 OK 63 63 100 100 2.7-3.0 3.0=100 QB ALA 28 - HB3 LYS 26 far 12 80 15 - 4.3-7.7 HG3 LYS 26 - HB3 LYS 24 far 8 81 10 - 3.4-9.5 QB ALA 29 - HB2 LYS 36 far 5 100 5 - 4.6-10.7 HG3 LYS 31 - HB3 LYS 26 far 4 80 5 - 3.9-13.1 QB ALA 16 - HB3 LYS 31 far 4 78 5 - 3.9-19.7 QB ALA 28 - HB3 LYS 19 far 3 67 5 - 2.9-15.3 QB ALA 28 - HB3 LYS 31 far 0 84 0 - 4.6-8.2 QB ALA 28 - HB3 LYS 24 far 0 80 0 - 4.8-13.1 QB ALA 16 - HB3 LYS 19 far 0 62 0 - 5.0-9.7 QB ALA 15 - HB3 LYS 19 far 0 68 0 - 5.0-11.5 QB ALA 12 - HB3 LYS 19 far 0 48 0 - 5.1-17.8 HG2 LYS 24 - HB3 LYS 31 far 0 84 0 - 5.1-18.9 QB ALA 29 - HB3 LYS 26 far 0 81 0 - 5.5-10.5 HG3 LYS 26 - HB3 LYS 31 far 0 85 0 - 6.1-13.2 HG2 LYS 24 - HB3 LYS 19 far 0 67 0 - 6.3-12.8 QB ALA 29 - HB3 LYS 19 far 0 68 0 - 6.3-16.5 HG3 LYS 31 - HB3 LYS 19 far 0 67 0 - 6.4-17.5 QB ALA 15 - HB3 LYS 31 far 0 85 0 - 6.7-19.9 QB ALA 29 - HB3 LYS 31 far 0 85 0 - 6.7-8.0 QB ALA 29 - HB3 LYS 24 far 0 81 0 - 7.2-14.2 HG3 LYS 31 - HB3 LYS 24 far 0 80 0 - 7.3-20.4 HG2 LYS 24 - HB3 LYS 26 far 0 80 0 - 7.7-11.4 HG2 LYS 19 - HB3 LYS 31 far 0 79 0 - 8.0-18.4 HG3 LYS 26 - HB3 LYS 19 far 0 68 0 - 8.0-18.1 QB ALA 16 - HB2 LYS 36 far 0 97 0 - 8.3-27.5 HG2 LYS 19 - HB3 LYS 24 far 0 76 0 - 8.3-14.8 HG3 LYS 31 - HB2 LYS 36 far 0 100 0 - 8.4-12.0 HG3 LYS 26 - HB2 LYS 36 far 0 100 0 - 8.6-19.4 HG2 LYS 19 - HB3 LYS 26 far 0 76 0 - 8.9-17.9 QB ALA 15 - HB3 LYS 26 far 0 81 0 - 9.0-23.3 QB ALA 12 - HB3 LYS 31 far 0 62 0 - 9.0-27.0 QB ALA 28 - HB2 LYS 36 far 0 100 0 - 9.2-12.8 QB ALA 110 - HB3 LYS 24 far 0 81 0 - 9.4-43.9 QB ALA 16 - HB3 LYS 26 far 0 74 0 - 9.6-20.2 HB2 LEU 42 - HB2 LYS 36 far 0 99 0 - 9.6-12.5 QB ALA 12 - HB3 LYS 24 far 0 59 0 - 9.7-26.5 HG2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.9-14.8 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 22 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.6-2.8 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 75 75 100 100 2.2-2.8 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 48 48 100 100 2.2-2.5 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 44 44 100 100 2.2-2.6 3.0=100 HG2 LYS 31 - HB3 LYS 26 far 8 81 10 - 3.1-12.9 HG2 LYS 26 - HB3 LYS 24 far 2 44 5 - 4.7-10.8 HG2 LYS 26 - HB3 LYS 31 far 0 47 0 - 5.2-13.4 HG2 LYS 31 - HB3 LYS 19 far 0 68 0 - 5.8-17.9 HG3 LYS 24 - HB3 LYS 31 far 0 78 0 - 6.4-20.1 HG2 LYS 31 - HB2 LYS 36 far 0 100 0 - 6.6-12.5 HG3 LYS 24 - HB3 LYS 19 far 0 62 0 - 6.7-14.1 HG3 LYS 24 - HB3 LYS 26 far 0 74 0 - 6.8-11.9 HG2 LYS 26 - HB2 LYS 36 far 0 63 0 - 7.1-19.6 HG2 LYS 31 - HB3 LYS 24 far 0 81 0 - 7.2-20.3 HG3 LYS 19 - HB3 LYS 24 far 0 59 0 - 7.5-15.4 HG2 LYS 26 - HB3 LYS 19 far 0 35 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 62 0 - 7.8-18.0 HG3 LYS 19 - HB3 LYS 26 far 0 58 0 - 8.6-17.8 HG3 LYS 36 - HB3 LYS 31 far 0 85 0 - 8.7-13.8 HG3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.1-20.8 QB ALA 52 - HB3 LYS 24 far 0 59 0 - 9.5-35.1 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 43 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 84 84 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 81 81 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 80 80 100 100 2.3-4.0 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 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 58 58 100 100 2.4-4.2 3.9=100 HD3 LYS 26 - HB3 LYS 31 far 13 85 15 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 31 far 8 84 10 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 24 far 8 81 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 24 far 8 81 10 - 2.5-11.6 HD3 LYS 31 - HB3 LYS 26 far 8 80 10 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 4 78 5 - 5.2-13.2 HD3 LYS 31 - HB3 LYS 19 far 3 67 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 0 77 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 66 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 74 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 99 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 85 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 100 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 100 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 100 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 80 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 79 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 80 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 81 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 64 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 77 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 85 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 71 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 73 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 81 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 71 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 73 0 - 9.8-19.8 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 43 assignments used, quality = 1.00: * HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 84 84 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 83 83 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 81 81 100 100 2.3-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.3-4.0 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 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 60 60 100 100 2.4-4.2 3.9=100 HD3 LYS 26 - HB3 LYS 31 far 13 85 15 - 3.8-14.8 HD2 LYS 26 - HB3 LYS 31 far 8 85 10 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 24 far 8 81 10 - 2.8-11.2 HD2 LYS 26 - HB3 LYS 24 far 8 81 10 - 2.5-11.6 HD3 LYS 31 - HB3 LYS 26 far 8 80 10 - 5.0-13.1 HD2 LYS 31 - HB3 LYS 26 far 4 79 5 - 5.2-13.2 HD3 LYS 31 - HB3 LYS 19 far 3 68 5 - 4.3-19.1 HD2 LYS 19 - HB3 LYS 31 far 0 78 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 66 0 - 6.0-19.2 HD3 LYS 19 - HB3 LYS 31 far 0 76 0 - 6.3-19.4 HD2 LYS 31 - HB2 LYS 36 far 0 99 0 - 6.6-12.8 HD2 LYS 24 - HB3 LYS 31 far 0 85 0 - 6.8-20.9 HD2 LYS 26 - HB2 LYS 36 far 0 100 0 - 7.1-21.4 HD2 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.1-19.3 HD3 LYS 26 - HB2 LYS 36 far 0 100 0 - 7.3-20.6 HD3 LYS 31 - HB2 LYS 36 far 0 100 0 - 7.3-13.1 HD3 LYS 31 - HB3 LYS 24 far 0 81 0 - 7.5-22.0 HD2 LYS 31 - HB3 LYS 24 far 0 79 0 - 7.7-22.1 HD3 LYS 24 - HB3 LYS 31 far 0 81 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 8.1-15.6 HD2 LYS 36 - HB3 LYS 26 far 0 81 0 - 8.1-20.2 HD3 LYS 24 - HB3 LYS 19 far 0 65 0 - 8.3-15.2 HD3 LYS 24 - HB3 LYS 26 far 0 78 0 - 8.4-12.6 HD2 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 85 0 - 8.7-12.8 HD3 LYS 19 - HB3 LYS 26 far 0 72 0 - 8.8-20.0 HD2 LYS 19 - HB3 LYS 24 far 0 75 0 - 8.8-17.3 HD2 LYS 24 - HB3 LYS 26 far 0 81 0 - 8.9-13.1 HD3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.0-21.9 HD3 LYS 19 - HB3 LYS 24 far 0 72 0 - 9.5-17.0 HD2 LYS 19 - HB3 LYS 26 far 0 74 0 - 9.8-19.8 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 44 assignments used, quality = 1.00: HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 * HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.4-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.2-5.5 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.5-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 79 79 100 100 2.0-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 72 72 100 100 2.6-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.4-4.7 5.1=100 HE2 LYS 31 - HB3 LYS 26 poor 16 81 20 - 5.9-13.4 HE2 LYS 26 - HB3 LYS 24 far 12 81 15 - 2.3-11.2 HE2 LYS 31 - HB3 LYS 19 far 10 68 15 - 6.1-19.6 HE3 LYS 31 - HB2 LYS 36 far 10 99 10 - 6.7-12.2 HE3 LYS 31 - HB3 LYS 19 far 10 66 15 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 8 81 10 - 2.2-9.7 HE3 LYS 31 - HB3 LYS 26 far 8 78 10 - 6.8-13.2 HE2 LYS 24 - HB3 LYS 19 far 7 66 10 - 6.3-15.6 HE2 LYS 26 - HB2 LYS 36 far 5 100 5 - 6.2-21.1 HE3 LYS 26 - HB2 LYS 36 far 5 100 5 - 6.2-21.3 HE2 LYS 31 - HB2 LYS 36 far 5 100 5 - 7.1-11.6 HE3 LYS 26 - HB3 LYS 31 far 4 85 5 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 4 85 5 - 6.0-15.4 HE3 LYS 19 - HB3 LYS 31 far 4 84 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 4 84 5 - 5.4-20.0 HE2 LYS 31 - HB3 LYS 24 far 4 81 5 - 5.0-21.5 HE3 LYS 31 - HB3 LYS 24 far 4 79 5 - 5.6-21.1 HE3 LYS 24 - HB3 LYS 26 far 4 72 5 - 7.0-14.0 HE2 LYS 26 - HB3 LYS 19 far 3 68 5 - 6.7-19.5 HE3 LYS 24 - HB3 LYS 19 far 3 60 5 - 5.9-15.4 HE2 LYS 19 - HB3 LYS 24 far 0 80 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 76 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 82 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 68 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 71 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 78 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 100 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 80 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 80 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 68 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 80 0 - 10.0-19.9 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 44 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.4-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.2-5.5 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.9-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.5-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 79 79 100 100 2.0-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 72 72 100 100 2.6-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.4-4.7 5.1=100 HE2 LYS 31 - HB3 LYS 26 poor 16 81 20 - 5.9-13.4 HE2 LYS 26 - HB3 LYS 24 far 12 81 15 - 2.3-11.2 HE2 LYS 31 - HB3 LYS 19 far 10 68 15 - 6.1-19.6 HE3 LYS 31 - HB2 LYS 36 far 10 99 10 - 6.7-12.2 HE3 LYS 31 - HB3 LYS 19 far 10 66 15 - 4.9-20.5 HE3 LYS 26 - HB3 LYS 24 far 8 81 10 - 2.2-9.7 HE3 LYS 31 - HB3 LYS 26 far 8 78 10 - 6.8-13.2 HE2 LYS 24 - HB3 LYS 19 far 7 66 10 - 6.3-15.6 HE2 LYS 26 - HB2 LYS 36 far 5 100 5 - 6.2-21.1 HE3 LYS 26 - HB2 LYS 36 far 5 100 5 - 6.2-21.3 HE2 LYS 31 - HB2 LYS 36 far 5 100 5 - 7.1-11.6 HE3 LYS 26 - HB3 LYS 31 far 4 85 5 - 4.8-15.1 HE2 LYS 26 - HB3 LYS 31 far 4 85 5 - 6.0-15.4 HE3 LYS 19 - HB3 LYS 31 far 4 84 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 4 84 5 - 5.4-20.0 HE2 LYS 31 - HB3 LYS 24 far 4 81 5 - 5.0-21.5 HE3 LYS 31 - HB3 LYS 24 far 4 79 5 - 5.6-21.1 HE3 LYS 24 - HB3 LYS 26 far 4 72 5 - 7.0-14.0 HE2 LYS 26 - HB3 LYS 19 far 3 68 5 - 6.7-19.5 HE3 LYS 24 - HB3 LYS 19 far 3 60 5 - 5.9-15.4 HE2 LYS 19 - HB3 LYS 24 far 0 80 0 - 7.3-17.6 HE3 LYS 24 - HB3 LYS 31 far 0 76 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 82 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 68 0 - 8.5-17.9 HB2 CYS 45 - HB2 LYS 36 far 0 71 0 - 8.5-13.1 HE2 LYS 24 - HB3 LYS 26 far 0 78 0 - 8.5-14.0 HE3 LYS 19 - HB2 LYS 36 far 0 100 0 - 9.0-25.5 HE3 LYS 19 - HB3 LYS 24 far 0 80 0 - 9.0-18.4 HE2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.1-14.5 HE2 LYS 19 - HB3 LYS 26 far 0 80 0 - 9.3-19.5 HE3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.5-21.7 HE3 LYS 36 - HB3 LYS 19 far 0 68 0 - 9.6-24.7 HE2 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.9-20.5 HE3 LYS 19 - HB3 LYS 26 far 0 80 0 - 10.0-19.9 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 2 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HA LYS 31 - HB3 LYS 36 far 0 93 0 - 7.4-11.0 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 - 5.5-8.7 HB3 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.4-13.2 HB3 LYS 26 - HB3 LYS 36 far 0 100 0 - 9.8-19.0 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 7 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 QB ALA 29 - HB3 LYS 36 far 5 100 5 - 4.1-11.4 HG3 LYS 31 - HB3 LYS 36 far 0 100 0 - 7.9-13.0 HG3 LYS 26 - HB3 LYS 36 far 0 100 0 - 8.8-19.4 QB ALA 28 - HB3 LYS 36 far 0 100 0 - 8.9-13.3 QB ALA 16 - HB3 LYS 36 far 0 97 0 - 9.2-28.5 HB2 LEU 42 - HB3 LYS 36 far 0 99 0 - 9.5-12.9 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 4 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 31 - HB3 LYS 36 far 0 100 0 - 6.2-13.8 HG2 LYS 26 - HB3 LYS 36 far 0 63 0 - 8.2-19.7 HG LEU 42 - HB3 LYS 36 far 0 63 0 - 9.4-13.7 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 3.2-4.2 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=100 HD2 LYS 31 - HB3 LYS 36 far 0 99 0 - 5.8-13.5 HD2 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.3-21.6 HD3 LYS 31 - HB3 LYS 36 far 0 100 0 - 6.8-13.9 HD3 LYS 26 - HB3 LYS 36 far 0 100 0 - 7.4-20.8 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 3.2-4.2 3.5=100 * HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=100 HD2 LYS 31 - HB3 LYS 36 far 0 99 0 - 5.8-13.5 HD2 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.3-21.6 HD3 LYS 31 - HB3 LYS 36 far 0 100 0 - 6.8-13.9 HD3 LYS 26 - HB3 LYS 36 far 0 100 0 - 7.4-20.8 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 7 assignments used, quality = 1.00: HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-5.3 4.9=100 * HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HE3 LYS 31 - HB3 LYS 36 far 0 99 0 - 6.6-13.9 HB2 CYS 45 - HB3 LYS 36 far 0 71 0 - 7.0-13.6 HE2 LYS 31 - HB3 LYS 36 far 0 100 0 - 7.2-13.1 HE3 LYS 26 - HB3 LYS 36 far 0 100 0 - 7.2-21.2 HE2 LYS 26 - HB3 LYS 36 far 0 100 0 - 7.6-21.1 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 7 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.5-5.3 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HE3 LYS 31 - HB3 LYS 36 far 0 99 0 - 6.6-13.9 HB2 CYS 45 - HB3 LYS 36 far 0 71 0 - 7.0-13.6 HE2 LYS 31 - HB3 LYS 36 far 0 100 0 - 7.2-13.1 HE3 LYS 26 - HB3 LYS 36 far 0 100 0 - 7.2-21.2 HE2 LYS 26 - HB3 LYS 36 far 0 100 0 - 7.6-21.1 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 45 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.9-3.8 4.1=100 HA THR 25 + HG2 LYS 24 OK 72 72 100 100 4.6-6.6 3.0/6234=99, ~6233=68...(24) HA ARG 23 + HG2 LYS 24 OK 72 72 100 100 3.7-6.5 424/6222=99, 2.9/832=30...(17) HA THR 25 + HG3 LYS 26 OK 58 58 100 100 3.5-5.3 11150=99, 582/6253=99...(18) HA LYS 31 + HG3 LYS 31 OK 56 56 100 100 2.1-3.7 3.8=100 HA THR 18 + HG2 LYS 19 OK 50 50 100 100 3.3-5.3 226/4.9=87...(18) HA LEU 22 + HG2 LYS 24 OK 49 56 100 88 2.6-6.1 2.9/1309=37...(13) HA LYS 26 + HG3 LYS 26 OK 49 49 100 100 2.5-3.8 4.0=100 HA LYS 19 + HG2 LYS 19 OK 44 44 100 100 3.5-3.7 4.2=100 HA ALA 16 - HG2 LYS 19 poor 17 48 35 - 2.8-8.6 HA ALA 21 - HG2 LYS 24 poor 13 67 20 - 6.1-9.3 HA ARG 23 - HG3 LYS 31 far 9 63 15 - 6.1-18.5 HA LYS 19 - HG2 LYS 24 far 7 65 10 - 4.2-13.3 HA THR 25 - HG3 LYS 31 far 6 63 10 - 5.5-16.5 HA ALA 21 - HG2 LYS 19 lone 6 45 75 17 6.0-8.5 10688/10900=8...(3) HA ARG 23 - HG3 LYS 26 far 6 58 10 - 2.5-9.1 HA LYS 19 - HG3 LYS 31 far 6 57 10 - 3.8-19.8 HA LEU 22 - HG3 LYS 31 far 5 48 10 - 6.6-23.6 HA THR 18 - HG2 LYS 24 far 4 73 5 - 6.1-13.0 HA THR 18 - HG3 LYS 31 far 3 64 5 - 5.6-23.8 HA LYS 26 - HG3 LYS 31 far 3 53 5 - 4.7-12.7 HA LYS 31 - HG3 LYS 26 far 3 51 5 - 6.6-15.0 HA ALA 12 - HG2 LYS 19 far 3 50 5 - 6.7-20.0 HA ALA 15 - HG2 LYS 19 far 2 49 5 - 6.3-11.0 HA LYS 31 - HG2 LYS 24 far 0 64 0 - 6.9-20.8 HA ALA 16 - HG3 LYS 31 far 0 62 0 - 6.9-24.0 HA ARG 23 - HG2 LYS 19 far 0 49 0 - 7.1-10.0 HA LYS 26 - HG2 LYS 24 far 0 61 0 - 7.2-9.6 HA LEU 22 - HG3 LYS 26 far 0 45 0 - 7.4-13.7 HA SER 74 - HG2 LYS 19 far 0 50 0 - 7.6-32.7 HA ALA 15 - HG3 LYS 31 far 0 64 0 - 7.7-25.1 HA GLN 61 - HG2 LYS 24 far 0 72 0 - 8.0-39.9 HA ALA 21 - HG3 LYS 31 far 0 59 0 - 8.0-23.4 HA LYS 19 - HG3 LYS 26 far 0 52 0 - 8.3-18.5 HA LEU 22 - HG2 LYS 19 far 0 37 0 - 8.4-10.5 HA LYS 31 - HG2 LYS 36 far 0 93 0 - 8.4-12.7 HA ALA 21 - HG3 LYS 26 far 0 54 0 - 8.5-15.4 HA LYS 26 - HG2 LYS 19 far 0 40 0 - 8.6-16.3 HA TYR 76 - HG2 LYS 36 far 0 76 0 - 8.6-10.9 HA LYS 36 - HG3 LYS 26 far 0 60 0 - 8.8-20.2 HA GLN 61 - HG3 LYS 26 far 0 59 0 - 8.8-39.0 HA LYS 31 - HG2 LYS 19 far 0 43 0 - 9.1-20.6 HA TYR 76 - HG2 LYS 19 far 0 32 0 - 9.3-31.7 HA LYS 36 - HG3 LYS 31 far 0 65 0 - 9.7-14.2 HA THR 25 - HG2 LYS 36 far 0 99 0 - 9.9-21.7 Violated in 0 structures by 0.00 A. Peak 1008 from aliabs.peaks (1.82, 1.38, 24.92 ppm; 5.20 A): 6 out of 30 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 73 73 100 100 2.7-3.0 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 2.7-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 46 46 100 100 2.7-3.0 3.0=100 HB3 ARG 23 + HG2 LYS 24 OK 27 74 40 90 5.5-7.1 4.2/6222=80, 6204/832=24...(14) HB ILE 32 - HG3 LYS 26 far 9 58 15 - 5.1-14.6 HB3 LYS 26 - HG3 LYS 31 far 6 65 10 - 3.9-13.1 HB ILE 32 - HG3 LYS 31 far 6 63 10 - 4.9-8.3 HB3 ARG 23 - HG3 LYS 26 far 6 60 10 - 2.4-11.0 HB3 LYS 24 - HG3 LYS 26 far 6 60 10 - 3.4-9.5 HB3 LYS 31 - HG2 LYS 24 far 4 72 5 - 5.1-18.9 HB3 ARG 23 - HG3 LYS 31 far 3 65 5 - 4.9-19.7 HB3 LYS 31 - HG3 LYS 26 far 0 59 0 - 6.1-13.2 HB3 LYS 19 - HG2 LYS 24 far 0 69 0 - 6.3-12.8 HB3 LYS 19 - HG3 LYS 31 far 0 60 0 - 6.4-17.5 HB3 ARG 23 - HG2 LYS 19 far 0 50 0 - 6.7-10.9 HB ILE 32 - HG2 LYS 36 far 0 99 0 - 6.9-9.5 HB ILE 32 - HG2 LYS 19 far 0 49 0 - 7.2-22.7 HB3 LYS 24 - HG3 LYS 31 far 0 64 0 - 7.3-20.4 HB3 LYS 26 - HG2 LYS 24 far 0 74 0 - 7.7-11.4 HB3 LYS 31 - HG2 LYS 19 far 0 49 0 - 8.0-18.4 HB3 LYS 19 - HG3 LYS 26 far 0 55 0 - 8.0-18.1 HB3 LYS 24 - HG2 LYS 19 far 0 50 0 - 8.3-14.8 HB2 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.4-12.0 HB2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.6-19.4 HB3 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.9-17.9 HB ILE 32 - HG2 LYS 24 far 0 72 0 - 9.1-22.3 HB2 CYS 79 - HG2 LYS 36 far 0 95 0 - 9.1-13.3 HB3 LYS 31 - HG2 LYS 36 far 0 100 0 - 9.9-14.8 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 2.2-2.8 3.0=100 HB2 GLU 40 - HG2 LYS 36 far 0 92 0 - 7.2-12.4 HB3 LYS 36 - HG3 LYS 31 far 0 65 0 - 7.9-13.0 HB3 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.8-19.4 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 23 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 - 4.5-14.4 HG2 LYS 31 - HG3 LYS 26 far 0 60 0 - 5.0-14.8 HG3 LYS 24 - HG3 LYS 26 far 0 54 0 - 5.2-11.1 HG2 LYS 31 - HG2 LYS 24 far 0 74 0 - 6.4-20.5 HG2 LYS 31 - HG2 LYS 19 far 0 50 0 - 6.4-19.9 HG2 LYS 26 - HG2 LYS 24 far 0 39 0 - 7.3-11.8 HG3 LYS 36 - HG3 LYS 26 far 0 60 0 - 7.5-21.1 HG2 LYS 31 - HG2 LYS 36 far 0 100 0 - 7.6-15.4 HG3 LYS 19 - HG3 LYS 31 far 0 45 0 - 8.0-19.1 HG3 LYS 19 - HG2 LYS 24 far 0 52 0 - 8.1-13.1 HG2 LYS 26 - HG2 LYS 19 far 0 25 0 - 8.1-18.8 HG3 LYS 24 - HG3 LYS 31 far 0 59 0 - 8.1-21.8 HG LEU 42 - HG2 LYS 36 far 0 63 0 - 8.2-13.4 HG3 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.4-13.8 HG3 LYS 19 - HG3 LYS 26 far 0 42 0 - 8.8-18.2 HG3 LYS 24 - HG2 LYS 19 far 0 45 0 - 8.9-13.9 HG2 LYS 26 - HG2 LYS 36 far 0 63 0 - 9.0-22.2 QB ALA 52 - HG3 LYS 26 far 0 42 0 - 9.3-34.6 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 43 assignments used, quality = 1.00: * HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 74 74 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.2-3.0 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 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.4-2.9 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 44 44 100 100 2.4-3.0 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 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 6 64 10 - 4.8-16.4 HD3 LYS 26 - HG2 LYS 24 far 4 74 5 - 5.1-12.5 HD2 LYS 26 - HG2 LYS 24 far 4 73 5 - 5.0-12.5 HD3 LYS 31 - HG2 LYS 19 far 2 50 5 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 73 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 56 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 71 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 50 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 50 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 60 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 58 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 59 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 100 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 48 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 61 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 58 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 66 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 56 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 99 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 100 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 65 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 50 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 64 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 85 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 51 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 89 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 47 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 65 0 - 10.0-14.2 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 43 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 74 74 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 70 70 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.2-3.0 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 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.4-2.9 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 45 45 100 100 2.4-3.0 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 - 4.1-16.0 HD2 LYS 26 - HG3 LYS 31 far 6 65 10 - 4.8-16.4 HD3 LYS 26 - HG2 LYS 24 far 4 74 5 - 5.1-12.5 HD2 LYS 26 - HG2 LYS 24 far 4 74 5 - 5.0-12.5 HD3 LYS 31 - HG2 LYS 19 far 2 50 5 - 5.6-20.4 HD3 LYS 31 - HG2 LYS 24 far 0 73 0 - 5.8-21.8 HD3 LYS 24 - HG3 LYS 26 far 0 57 0 - 6.0-11.4 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 6.2-21.7 HD2 LYS 26 - HG2 LYS 19 far 0 50 0 - 6.4-20.5 HD3 LYS 26 - HG2 LYS 19 far 0 50 0 - 6.4-20.4 HD2 LYS 24 - HG3 LYS 26 far 0 60 0 - 6.7-11.9 HD2 LYS 19 - HG3 LYS 31 far 0 59 0 - 6.8-19.6 HD3 LYS 31 - HG3 LYS 26 far 0 60 0 - 7.0-14.6 HD2 LYS 26 - HG2 LYS 36 far 0 100 0 - 7.1-24.1 HD2 LYS 31 - HG2 LYS 19 far 0 49 0 - 7.3-20.7 HD3 LYS 24 - HG3 LYS 31 far 0 62 0 - 7.5-22.0 HD2 LYS 31 - HG3 LYS 26 far 0 58 0 - 7.5-14.9 HD2 LYS 19 - HG2 LYS 24 far 0 67 0 - 7.9-15.3 HD3 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.0-23.3 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.1-20.8 HD3 LYS 19 - HG3 LYS 31 far 0 57 0 - 8.2-20.5 HD2 LYS 31 - HG2 LYS 36 far 0 99 0 - 8.3-15.6 HD2 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.4-12.5 HD3 LYS 31 - HG2 LYS 36 far 0 100 0 - 8.5-15.7 HD2 LYS 24 - HG3 LYS 31 far 0 65 0 - 8.7-22.7 HD3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-22.5 HD2 LYS 24 - HG2 LYS 19 far 0 50 0 - 9.2-16.0 HD3 LYS 19 - HG2 LYS 24 far 0 65 0 - 9.2-14.9 HG LEU 43 - HG2 LYS 36 far 0 87 0 - 9.5-14.7 HD3 LYS 19 - HG3 LYS 26 far 0 52 0 - 9.5-20.4 HD2 LYS 39 - HG2 LYS 36 far 0 87 0 - 9.8-15.2 HD3 LYS 24 - HG2 LYS 19 far 0 48 0 - 9.9-15.7 HD3 LYS 36 - HG3 LYS 31 far 0 65 0 - 10.0-14.2 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: * HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.1-4.2 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 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-4.1 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.7-4.1 3.8=100 HE2 LYS 26 - HG2 LYS 24 far 11 74 15 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 11 74 15 - 4.7-11.5 HB2 CYS 45 - HG2 LYS 36 far 11 71 15 - 6.7-11.9 HE3 LYS 26 - HG3 LYS 31 far 10 65 15 - 5.2-15.5 HE2 LYS 26 - HG3 LYS 31 far 6 65 10 - 6.5-16.9 HE2 LYS 31 - HG3 LYS 26 far 6 60 10 - 5.7-14.7 HE3 LYS 24 - HG3 LYS 26 far 5 52 10 - 4.3-13.1 HE3 LYS 26 - HG2 LYS 36 far 5 100 5 - 7.1-23.8 HE2 LYS 26 - HG2 LYS 36 far 5 100 5 - 7.5-23.6 HE2 LYS 31 - HG2 LYS 24 far 4 74 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 71 5 - 4.3-21.5 HE3 LYS 19 - HG3 LYS 31 far 3 64 5 - 6.2-20.2 HE2 LYS 19 - HG3 LYS 31 far 3 64 5 - 7.3-20.3 HE2 LYS 24 - HG3 LYS 31 far 3 62 5 - 6.5-22.2 HE2 LYS 24 - HG3 LYS 26 far 3 58 5 - 5.9-12.5 HE3 LYS 31 - HG3 LYS 26 far 3 58 5 - 6.6-14.4 HE3 LYS 24 - HG3 LYS 31 far 3 57 5 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 19 far 3 50 5 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 2 48 5 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 2 48 5 - 7.1-17.3 HE3 LYS 24 - HG2 LYS 19 far 0 44 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 50 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 73 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 99 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 100 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 65 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 73 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.8-21.9 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: HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 * HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.1-4.2 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 2.1-3.9 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-4.2 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-4.1 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.2-4.2 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.7-4.1 3.8=100 HE2 LYS 26 - HG2 LYS 24 far 11 74 15 - 4.8-12.5 HE3 LYS 26 - HG2 LYS 24 far 11 74 15 - 4.7-11.5 HB2 CYS 45 - HG2 LYS 36 far 11 71 15 - 6.7-11.9 HE3 LYS 26 - HG3 LYS 31 far 10 65 15 - 5.2-15.5 HE2 LYS 26 - HG3 LYS 31 far 6 65 10 - 6.5-16.9 HE2 LYS 31 - HG3 LYS 26 far 6 60 10 - 5.7-14.7 HE3 LYS 24 - HG3 LYS 26 far 5 52 10 - 4.3-13.1 HE3 LYS 26 - HG2 LYS 36 far 5 100 5 - 7.1-23.8 HE2 LYS 26 - HG2 LYS 36 far 5 100 5 - 7.5-23.6 HE2 LYS 31 - HG2 LYS 24 far 4 74 5 - 4.0-21.2 HE3 LYS 31 - HG2 LYS 24 far 4 71 5 - 4.3-21.5 HE3 LYS 19 - HG3 LYS 31 far 3 64 5 - 6.2-20.2 HE2 LYS 19 - HG3 LYS 31 far 3 64 5 - 7.3-20.3 HE2 LYS 24 - HG3 LYS 31 far 3 62 5 - 6.5-22.2 HE2 LYS 24 - HG3 LYS 26 far 3 58 5 - 5.9-12.5 HE3 LYS 31 - HG3 LYS 26 far 3 58 5 - 6.6-14.4 HE3 LYS 24 - HG3 LYS 31 far 3 57 5 - 7.4-22.4 HE2 LYS 26 - HG2 LYS 19 far 3 50 5 - 6.9-20.3 HE3 LYS 31 - HG2 LYS 19 far 2 48 5 - 7.0-21.9 HE2 LYS 24 - HG2 LYS 19 far 2 48 5 - 7.1-17.3 HE3 LYS 24 - HG2 LYS 19 far 0 44 0 - 7.8-16.2 HE2 LYS 31 - HG2 LYS 19 far 0 50 0 - 8.3-20.9 HE3 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.4-18.7 HE3 LYS 19 - HG2 LYS 24 far 0 73 0 - 8.6-16.0 HE3 LYS 31 - HG2 LYS 36 far 0 99 0 - 8.7-14.1 HE3 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.7-13.9 HE2 LYS 31 - HG2 LYS 36 far 0 100 0 - 8.8-13.8 HE2 LYS 36 - HG3 LYS 31 far 0 65 0 - 9.1-12.9 HE3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.4-22.5 HE2 LYS 19 - HG2 LYS 24 far 0 73 0 - 9.6-15.3 HE2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.8-21.9 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 28 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.5-3.8 4.1=100 HA LYS 31 + HG2 LYS 31 OK 58 58 100 100 2.2-4.2 3.8=100 HA ARG 23 + HG3 LYS 24 OK 43 60 75 97 5.0-7.0 424/6223=92, ~832=24...(14) HA LEU 22 + HG3 LYS 24 OK 33 46 95 76 3.8-7.1 ~1309=26, ~1309=17...(13) HA ARG 23 - HG2 LYS 31 far 10 65 15 - 4.5-18.5 HA PHE 87 - HG3 LYS 86 poor 9 43 20 - 4.3-6.6 HA LYS 26 - HG2 LYS 31 far 5 55 10 - 5.2-13.1 HA LYS 19 - HG3 LYS 24 far 5 54 10 - 5.7-13.9 HA LEU 22 - HG2 LYS 31 far 5 50 10 - 5.0-23.5 HA THR 18 - HG2 LYS 31 far 3 67 5 - 5.4-24.2 HA ALA 16 - HG2 LYS 31 far 3 64 5 - 5.3-24.4 HA THR 25 - HG3 LYS 24 far 3 60 5 - 5.9-7.1 HA LYS 19 - HG2 LYS 31 far 3 59 5 - 3.6-20.1 HA THR 25 - HG2 LYS 31 far 0 65 0 - 6.5-16.4 HA ALA 15 - HG2 LYS 31 far 0 66 0 - 6.7-26.2 HA ALA 21 - HG2 LYS 31 far 0 61 0 - 6.8-23.7 HA THR 18 - HG3 LYS 24 far 0 61 0 - 6.9-13.6 HA GLN 61 - HG3 LYS 24 far 0 60 0 - 7.1-40.4 HA LYS 26 - HG3 LYS 24 far 0 50 0 - 7.1-9.9 HA ALA 21 - HG3 LYS 24 far 0 56 0 - 7.4-9.5 HA LYS 31 - HG3 LYS 36 far 0 93 0 - 7.6-11.7 HA LYS 31 - HG3 LYS 24 far 0 53 0 - 7.8-22.0 HA LYS 36 - HG2 LYS 31 far 0 67 0 - 8.1-14.6 HA TYR 76 - HG3 LYS 86 far 0 32 0 - 8.3-9.2 HA SER 74 - HG3 LYS 86 far 0 50 0 - 8.5-11.6 HA THR 25 - HG3 LYS 36 far 0 99 0 - 8.7-21.0 HA TYR 76 - HG3 LYS 36 far 0 76 0 - 8.8-11.8 HA ALA 110 - HG3 LYS 24 far 0 62 0 - 9.0-50.5 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 2.6-2.8 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 61 61 100 100 2.2-2.8 2.9=100 HB2 LYS 86 + HG3 LYS 86 OK 32 32 100 100 2.2-3.0 3.0=100 HB3 LYS 26 - HG2 LYS 31 far 10 67 15 - 3.1-12.9 HB3 ARG 23 - HG3 LYS 24 far 6 62 10 - 5.8-7.9 HB ILE 32 - HG3 LYS 36 far 5 99 5 - 5.4-9.2 HB3 ARG 23 - HG2 LYS 31 far 3 67 5 - 4.3-19.5 HB3 LYS 19 - HG2 LYS 31 far 3 62 5 - 5.8-17.9 HB3 LYS 31 - HG3 LYS 24 far 0 60 0 - 6.4-20.1 HB ILE 32 - HG2 LYS 31 far 0 65 0 - 6.5-8.3 HB2 LYS 36 - HG2 LYS 31 far 0 67 0 - 6.6-12.5 HB3 LYS 19 - HG3 LYS 24 far 0 57 0 - 6.7-14.1 HB3 LYS 26 - HG3 LYS 24 far 0 62 0 - 6.8-11.9 HB2 ARG 84 - HG3 LYS 86 far 0 48 0 - 7.0-9.5 HB3 LYS 24 - HG2 LYS 31 far 0 67 0 - 7.2-20.3 HB2 CYS 79 - HG3 LYS 86 far 0 44 0 - 7.7-9.5 HB VAL 93 - HG3 LYS 86 far 0 45 0 - 8.6-11.2 HB3 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.7-13.8 HB3 ARG 135 - HG3 LYS 86 far 0 50 0 - 9.0-13.1 HB3 LYS 26 - HG3 LYS 36 far 0 100 0 - 9.1-20.8 Violated in 0 structures by 0.00 A. Peak 1020 from aliabs.peaks (1.88, 1.46, 24.92 ppm; 4.84 A): 1 out of 6 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 - 5.2-9.3 HB3 LYS 36 - HG2 LYS 31 far 0 67 0 - 6.2-13.8 HB3 ARG 84 - HG3 LYS 86 far 0 36 0 - 6.6-10.0 HB2 GLU 40 - HG3 LYS 36 far 0 92 0 - 7.7-12.2 HB2 ARG 135 - HG3 LYS 86 far 0 49 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 1021 from aliabs.peaks (1.38, 1.46, 24.92 ppm; 2.50 A): 3 out of 25 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 16 - HG2 LYS 31 far 3 61 5 - 2.7-21.2 HG3 LYS 26 - HG2 LYS 31 far 0 67 0 - 5.0-14.8 QB ALA 15 - HG2 LYS 31 far 0 67 0 - 5.1-21.2 HG3 LYS 26 - HG3 LYS 24 far 0 62 0 - 5.2-11.1 QB ALA 28 - HG3 LYS 24 far 0 61 0 - 5.3-14.6 QB ALA 29 - HG3 LYS 36 far 0 100 0 - 5.8-12.8 HG2 LYS 24 - HG2 LYS 31 far 0 66 0 - 6.4-20.5 QB ALA 28 - HG2 LYS 31 far 0 66 0 - 6.4-9.4 HG2 LYS 19 - HG2 LYS 31 far 0 62 0 - 6.4-19.9 QB ALA 29 - HG2 LYS 31 far 0 67 0 - 6.5-9.1 QB ALA 29 - HG3 LYS 24 far 0 62 0 - 7.1-15.8 HG3 LYS 26 - HG3 LYS 36 far 0 100 0 - 7.5-21.1 HG2 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.6-15.4 HG3 LYS 31 - HG3 LYS 24 far 0 60 0 - 8.1-21.8 QB ALA 110 - HG3 LYS 24 far 0 62 0 - 8.1-44.1 HG3 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.4-13.8 HB2 LEU 42 - HG3 LYS 36 far 0 99 0 - 8.7-12.2 HG2 LYS 19 - HG3 LYS 24 far 0 57 0 - 8.9-13.9 QB ALA 16 - HG3 LYS 24 far 0 56 0 - 9.6-16.6 QB ALA 28 - HG3 LYS 36 far 0 100 0 - 9.7-14.3 QB ALA 12 - HG3 LYS 24 far 0 43 0 - 9.7-24.7 QB ALA 15 - HG3 LYS 24 far 0 62 0 - 9.9-18.6 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 2.3-2.9 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 62 62 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 58 58 100 100 2.6-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.4-2.5 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 47 47 100 100 2.4-2.5 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 7 67 10 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 3 67 5 - 4.4-16.1 HD3 LYS 26 - HG3 LYS 24 far 3 62 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 3 61 5 - 3.9-13.0 HD2 LYS 26 - HG3 LYS 36 far 0 100 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 100 0 - 6.6-22.6 HD2 LYS 19 - HG2 LYS 31 far 0 60 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.0-13.1 HD2 LYS 31 - HG3 LYS 36 far 0 99 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 50 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 100 0 - 7.2-14.6 HG2 ARG 84 - HG3 LYS 86 far 0 29 0 - 7.3-10.0 HG3 ARG 84 - HG3 LYS 86 far 0 33 0 - 7.3-10.1 HD3 LYS 31 - HG3 LYS 24 far 0 61 0 - 7.5-22.9 HD2 LYS 24 - HG2 LYS 31 far 0 67 0 - 7.5-22.6 HD2 LYS 31 - HG3 LYS 24 far 0 59 0 - 7.9-22.8 HD3 LYS 24 - HG2 LYS 31 far 0 63 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 58 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 67 0 - 8.4-14.7 HD2 LYS 19 - HG3 LYS 24 far 0 55 0 - 9.5-15.6 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 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.3-2.9 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 62 62 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 59 59 100 100 2.6-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.4-2.5 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 48 48 100 100 2.4-2.5 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 7 67 10 - 3.8-15.2 HD2 LYS 26 - HG2 LYS 31 far 3 67 5 - 4.4-16.1 HD3 LYS 26 - HG3 LYS 24 far 3 62 5 - 3.7-12.6 HD2 LYS 26 - HG3 LYS 24 far 3 62 5 - 3.9-13.0 HD2 LYS 26 - HG3 LYS 36 far 0 100 0 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 100 0 - 6.6-22.6 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 6.9-20.3 HD2 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.0-13.1 HD2 LYS 31 - HG3 LYS 36 far 0 99 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 50 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 100 0 - 7.2-14.6 HG2 ARG 84 - HG3 LYS 86 far 0 30 0 - 7.3-10.0 HG3 ARG 84 - HG3 LYS 86 far 0 34 0 - 7.3-10.1 HD3 LYS 31 - HG3 LYS 24 far 0 61 0 - 7.5-22.9 HD2 LYS 24 - HG2 LYS 31 far 0 67 0 - 7.5-22.6 HD2 LYS 31 - HG3 LYS 24 far 0 60 0 - 7.9-22.8 HD3 LYS 24 - HG2 LYS 31 far 0 64 0 - 7.9-22.0 HD3 LYS 19 - HG2 LYS 31 far 0 59 0 - 8.3-20.6 HD3 LYS 36 - HG2 LYS 31 far 0 67 0 - 8.4-14.7 HD2 LYS 19 - HG3 LYS 24 far 0 56 0 - 9.5-15.6 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 2.1-4.0 4.0=100 * HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.9 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 54 54 100 100 2.0-4.2 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 49 49 100 100 3.5-3.8 3.7=100 HE3 LYS 26 - HG2 LYS 31 far 7 67 10 - 4.3-16.8 HE2 LYS 26 - HG2 LYS 31 far 7 67 10 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 24 far 6 62 10 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 6 62 10 - 4.4-11.8 HE3 LYS 26 - HG3 LYS 36 far 5 100 5 - 5.6-23.2 HE2 LYS 26 - HG3 LYS 36 far 5 100 5 - 6.2-22.9 HE2 LYS 31 - HG3 LYS 24 far 3 62 5 - 5.6-22.4 HE3 LYS 31 - HG3 LYS 24 far 3 59 5 - 5.9-22.5 HB2 CYS 45 - HG3 LYS 36 far 0 71 0 - 7.0-11.9 HE2 LYS 24 - HG2 LYS 31 far 0 65 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.0-20.9 HE3 LYS 31 - HG3 LYS 36 far 0 99 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 100 0 - 7.2-12.8 HE3 LYS 24 - HG2 LYS 31 far 0 59 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 66 0 - 8.0-21.1 HE2 LYS 19 - HG3 LYS 24 far 0 61 0 - 8.5-16.5 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 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.9 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 2.1-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 54 54 100 100 2.0-4.2 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 49 49 100 100 3.5-3.8 3.7=100 HE3 LYS 26 - HG2 LYS 31 far 7 67 10 - 4.3-16.8 HE2 LYS 26 - HG2 LYS 31 far 7 67 10 - 6.0-16.7 HE2 LYS 26 - HG3 LYS 24 far 6 62 10 - 4.0-12.7 HE3 LYS 26 - HG3 LYS 24 far 6 62 10 - 4.4-11.8 HE3 LYS 26 - HG3 LYS 36 far 5 100 5 - 5.6-23.2 HE2 LYS 26 - HG3 LYS 36 far 5 100 5 - 6.2-22.9 HE2 LYS 31 - HG3 LYS 24 far 3 62 5 - 5.6-22.4 HE3 LYS 31 - HG3 LYS 24 far 3 59 5 - 5.9-22.5 HB2 CYS 45 - HG3 LYS 36 far 0 71 0 - 7.0-11.9 HE2 LYS 24 - HG2 LYS 31 far 0 65 0 - 7.0-23.0 HE3 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.0-20.9 HE3 LYS 31 - HG3 LYS 36 far 0 99 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 100 0 - 7.2-12.8 HE3 LYS 24 - HG2 LYS 31 far 0 59 0 - 7.4-23.3 HE3 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.7-15.3 HE2 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.8-14.3 HE2 LYS 19 - HG2 LYS 31 far 0 66 0 - 8.0-21.1 HE2 LYS 19 - HG3 LYS 24 far 0 61 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 1029 from aliabs.peaks (4.28, 1.66, 28.74 ppm; 4.12 A): 11 out of 97 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 94 100 95 99 4.2-5.0 5.3=48, 3.0/1031=36...(30) HA LYS 36 + HD3 LYS 36 OK 94 100 95 99 4.1-5.2 5.3=48, 3.0/1031=36...(30) HA LYS 31 + HD3 LYS 31 OK 83 84 100 99 2.0-4.8 5.2=49, ~6331=26...(34) HA LYS 31 + HD2 LYS 31 OK 79 80 100 99 2.0-4.9 5.2=49, 3.0/6335=27...(34) HA LYS 26 + HD3 LYS 26 OK 65 83 80 99 2.5-5.2 5.0=57, ~6253=32...(32) HA LYS 19 + HD2 LYS 19 OK 64 76 85 98 3.6-5.5 5.2=51, 11871/10696=28...(42) HA LYS 26 + HD2 LYS 26 OK 36 82 45 99 3.8-5.5 5.0=57, ~6253=32...(32) HA LYS 19 + HD3 LYS 19 OK 31 70 45 98 3.9-5.5 5.2=51, 271/3.0=23...(41) HA THR 25 + HD3 LYS 26 OK 23 94 25 98 4.3-7.0 11150/2.9=70...(16) HA LEU 22 + HD2 LYS 24 OK 23 85 50 54 2.0-8.9 3.9/10812=17, ~1309=11...(12) HA THR 25 + HD2 LYS 26 OK 23 93 25 97 3.0-7.4 11150/2.9=70...(14) HA LEU 22 - HD3 LYS 24 poor 16 75 45 48 1.9-8.8 ~1309=11, ~1309=7...(12) HA ARG 23 - HD3 LYS 24 far 14 92 15 - 3.7-7.9 HA ALA 15 - HD2 LYS 19 far 8 84 10 - 4.4-12.5 HA ALA 15 - HD3 LYS 19 far 8 77 10 - 4.8-12.5 HA ARG 23 - HD2 LYS 24 far 5 99 5 - 4.8-8.7 HA ALA 21 - HD2 LYS 24 far 5 96 5 - 5.0-11.7 HA ARG 23 - HD3 LYS 26 far 5 94 5 - 3.6-11.3 HA ARG 23 - HD2 LYS 26 far 5 93 5 - 2.1-11.5 HA THR 25 - HD3 LYS 24 far 5 92 5 - 3.4-7.5 HA LYS 19 - HD3 LYS 31 far 4 85 5 - 2.1-21.0 HA LYS 31 - HD2 LYS 26 far 4 85 5 - 3.8-16.5 HA LYS 19 - HD2 LYS 31 far 4 81 5 - 3.8-21.0 HA ALA 16 - HD3 LYS 19 lone 1 75 30 3 2.1-10.6 HA ALA 16 - HD2 LYS 19 lone 1 82 25 3 3.4-10.2 HA LYS 31 - HD3 LYS 26 far 0 86 0 - 5.0-16.1 HA LEU 22 - HD3 LYS 31 far 0 75 0 - 5.1-21.9 HA THR 18 - HD3 LYS 19 far 0 78 0 - 5.1-7.8 HA THR 25 - HD2 LYS 24 far 0 99 0 - 5.2-8.2 HA THR 18 - HD2 LYS 19 far 0 85 0 - 5.2-7.4 HA SER 74 - HD3 LYS 19 far 0 78 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 87 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 89 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 88 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 94 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 92 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 94 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 89 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 76 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 85 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 89 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 79 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 100 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 75 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 71 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 89 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 81 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 84 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 77 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 94 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 93 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 77 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 81 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 91 0 - 7.3-24.5 HA TYR 76 - HD3 LYS 36 far 0 76 0 - 7.3-10.2 HA ALA 15 - HD3 LYS 31 far 0 93 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 90 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 85 0 - 7.5-20.7 HA LYS 36 - HD2 LYS 31 far 0 90 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 79 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 68 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 92 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 72 0 - 7.7-10.6 HA LYS 36 - HD3 LYS 26 far 0 96 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 90 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 94 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 94 0 - 8.1-15.3 HA TYR 76 - HD2 LYS 36 far 0 76 0 - 8.1-11.9 HA ALA 21 - HD3 LYS 31 far 0 88 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 95 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 93 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 94 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 77 0 - 8.5-12.2 HA TYR 76 - HD3 LYS 19 far 0 53 0 - 8.7-32.5 HA LYS 19 - HD2 LYS 26 far 0 86 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 93 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 83 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 94 0 - 8.8-21.0 HA LYS 31 - HD3 LYS 36 far 0 93 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 71 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 90 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 95 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 87 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 65 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 100 0 - 9.2-49.0 HA ALA 12 - HD3 LYS 26 far 0 96 0 - 9.4-36.0 HA TYR 76 - HD2 LYS 19 far 0 58 0 - 9.5-32.0 HA LYS 31 - HD3 LYS 24 far 0 84 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 94 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 77 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 95 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 70 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 84 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 94 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 99 0 - 9.7-20.9 HA LEU 22 - HD2 LYS 19 far 0 66 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1030 from aliabs.peaks (1.82, 1.66, 28.74 ppm; 4.50 A): 11 out of 67 assignments used, quality = 1.00: * HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.3-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.1-3.7 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.0-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.1-3.8 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 80 80 100 100 2.9-3.9 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 73 73 100 100 2.4-4.2 3.9=100 HB ILE 32 + HD2 LYS 26 OK 23 93 25 100 4.4-15.8 10833=74, ~10767=42...(34) HB ILE 32 - HD3 LYS 26 poor 19 94 20 - 4.8-14.9 HB ILE 32 - HD2 LYS 31 poor 18 89 20 - 4.9-9.0 HB ILE 32 - HD2 LYS 36 far 15 99 15 - 4.6-8.0 HB ILE 32 - HD3 LYS 31 far 14 92 15 - 4.6-9.2 HB3 LYS 24 - HD3 LYS 26 far 10 95 10 - 2.8-11.2 HB3 ARG 23 - HD2 LYS 26 far 9 95 10 - 4.3-13.4 HB3 LYS 31 - HD3 LYS 26 far 9 94 10 - 3.8-14.8 HB3 LYS 24 - HD2 LYS 26 far 9 94 10 - 2.5-11.6 HB3 LYS 26 - HD3 LYS 31 far 9 94 10 - 5.0-13.1 HB3 LYS 31 - HD2 LYS 26 far 9 94 10 - 3.5-15.2 HB3 ARG 23 - HD3 LYS 26 far 5 96 5 - 4.9-13.2 HB3 ARG 23 - HD3 LYS 24 far 5 94 5 - 5.3-8.7 HB3 LYS 26 - HD2 LYS 31 far 5 90 5 - 5.2-13.2 HB3 LYS 19 - HD3 LYS 31 far 4 89 5 - 4.3-19.1 HB ILE 32 - HD3 LYS 36 far 0 99 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 84 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 85 0 - 6.0-19.2 HB VAL 93 - HD3 LYS 95 far 0 81 0 - 6.0-8.5 HB VAL 93 - HD2 LYS 95 far 0 74 0 - 6.2-8.6 HB3 LYS 31 - HD3 LYS 19 far 0 77 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 94 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 90 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 90 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 96 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 94 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 94 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 90 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 93 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 97 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 85 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 89 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 92 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 94 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 97 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 77 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 97 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 79 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 94 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 83 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 46 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 78 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 51 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 95 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 9.8-24.4 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 12 assignments used, quality = 1.00: * HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.2-4.2 3.5=100 HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=100 HB3 LYS 36 - HD2 LYS 26 far 5 95 5 - 6.3-21.6 HB3 LYS 36 - HD2 LYS 31 far 5 90 5 - 5.8-13.5 HB2 ARG 90 - HD2 LYS 95 far 2 42 5 - 6.3-10.8 HB3 LYS 36 - HD3 LYS 31 far 0 94 0 - 6.8-13.9 HB2 ARG 90 - HD3 LYS 95 far 0 46 0 - 6.9-10.1 HB3 LYS 36 - HD3 LYS 26 far 0 96 0 - 7.4-20.8 HB3 LEU 48 - HD3 LYS 26 far 0 91 0 - 8.0-38.0 HB3 LEU 48 - HD2 LYS 26 far 0 90 0 - 8.7-39.0 HB2 GLU 40 - HD3 LYS 36 far 0 92 0 - 9.6-12.9 HB2 GLU 40 - HD2 LYS 36 far 0 92 0 - 9.9-13.6 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 95 assignments used, quality = 1.00: * HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.8 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 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.4-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.2-3.0 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 2.3-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 80 80 100 100 2.4-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 79 79 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 77 77 100 100 2.4-3.0 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 73 73 100 100 2.3-3.0 3.0=100 QB ALA 16 - HD2 LYS 19 poor 20 79 25 - 2.3-9.2 QB ALA 15 - HD2 LYS 19 poor 17 85 20 - 2.2-10.6 QB ALA 28 - HD2 LYS 26 far 14 94 15 - 4.6-9.5 QB ALA 15 - HD3 LYS 19 far 12 79 15 - 3.1-10.4 QB ALA 29 - HD2 LYS 26 far 9 94 10 - 4.1-12.5 QB ALA 29 - HD3 LYS 26 far 5 95 5 - 4.6-11.8 HG3 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 90 5 - 3.7-21.3 QB ALA 16 - HD3 LYS 31 far 4 88 5 - 4.1-20.4 QB ALA 16 - HD2 LYS 31 far 4 84 5 - 2.7-21.0 QB ALA 28 - HD2 LYS 19 far 4 84 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 78 5 - 4.7-17.0 QB ALA 16 - HD3 LYS 19 lone 1 72 35 4 2.4-9.7 7141/6.2=1 HG3 LYS 31 - HD2 LYS 26 far 0 94 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 94 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 94 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 95 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 93 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 89 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 90 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 57 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 90 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 62 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 94 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 90 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 81 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 93 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 94 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 94 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 84 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 94 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 72 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 95 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 87 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 66 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 93 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 90 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 85 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 100 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 84 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 99 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 77 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 90 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 71 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 79 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 99 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 73 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 94 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 97 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 90 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 96 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 97 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 89 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 78 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 72 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 96 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 88 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 96 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 89 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 100 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 94 0 - 10.0-20.6 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 45 assignments used, quality = 1.00: * HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 88 88 100 100 2.6-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 62 62 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 57 57 100 100 2.4-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 56 56 100 100 2.3-2.9 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 far 6 42 15 - 3.8-6.7 HG2 LYS 31 - HD3 LYS 26 far 5 95 5 - 3.8-15.2 HG2 LYS 31 - HD2 LYS 26 far 5 94 5 - 4.4-16.1 QB ALA 92 - HD3 LYS 95 far 5 46 10 - 3.6-6.7 HG3 LYS 24 - HD3 LYS 26 far 4 90 5 - 3.7-12.6 HG3 LYS 24 - HD2 LYS 26 far 4 89 5 - 3.9-13.0 HG2 LYS 26 - HD3 LYS 31 far 0 54 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.5-23.5 HG3 LYS 19 - HD3 LYS 26 far 0 73 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 51 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 71 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 72 0 - 6.4-20.6 HG3 LYS 36 - HD3 LYS 26 far 0 96 0 - 6.6-22.6 HG2 LYS 26 - HD2 LYS 36 far 0 63 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 100 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.0-14.5 HG3 LYS 36 - HD3 LYS 31 far 0 94 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 88 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 54 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 63 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 67 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 84 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 63 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 94 0 - 7.9-22.0 QB ALA 52 - HD2 LYS 26 far 0 72 0 - 8.0-36.3 QB ALA 52 - HD3 LYS 26 far 0 73 0 - 8.2-35.4 HG2 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.3-20.6 HG LEU 42 - HD3 LYS 36 far 0 63 0 - 8.3-11.7 HG LEU 42 - HD2 LYS 36 far 0 63 0 - 8.4-13.0 HG2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.4-14.7 HG2 LYS 26 - HD3 LYS 19 far 0 42 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 79 0 - 9.5-15.6 HG3 LYS 19 - HD2 LYS 24 far 0 80 0 - 9.9-15.8 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 89 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 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 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 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 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 86 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 92 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 88 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 85 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 96 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 81 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 92 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 71 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 94 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 90 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 76 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 76 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 94 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 96 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 66 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 70 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.9-20.9 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 89 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 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 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 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 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 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 86 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 92 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 88 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 85 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 96 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 81 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 92 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 71 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 94 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 90 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 76 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 76 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 94 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 96 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 66 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 70 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 1040 from aliabs.peaks (4.28, 1.66, 28.74 ppm; 3.68 A): 7 out of 97 assignments used, quality = 1.00: HA LYS 36 + HD2 LYS 36 OK 63 100 65 98 4.2-5.0 5.3=34, 3.0/1031=30...(30) HA LYS 31 + HD3 LYS 31 OK 62 85 75 97 2.0-4.8 5.2=35, 822/2.9=20...(34) HA LYS 31 + HD2 LYS 31 OK 59 82 75 97 2.0-4.9 5.2=35, 3.0/6335=21...(34) HA LYS 19 + HD2 LYS 19 OK 56 79 75 95 3.6-5.5 5.2=36, 11871/10696=22...(42) * HA LYS 36 + HD3 LYS 36 OK 54 100 55 98 4.1-5.2 5.3=34, 3.0/1031=30...(30) HA LYS 26 + HD3 LYS 26 OK 40 83 50 96 2.5-5.2 5.0=41, ~6253=24...(32) HA LYS 26 + HD2 LYS 26 OK 35 82 45 96 3.8-5.5 5.0=41, ~6253=24...(32) HA ALA 16 - HD3 LYS 19 poor 20 79 25 - 2.1-10.6 HA THR 25 - HD2 LYS 26 poor 19 94 20 - 3.0-7.4 HA LEU 22 - HD3 LYS 24 poor 15 77 20 - 1.9-8.8 HA LYS 19 - HD3 LYS 19 poor 15 73 20 - 3.9-5.5 HA THR 25 - HD3 LYS 26 far 14 94 15 - 4.3-7.0 HA LEU 22 - HD2 LYS 24 poor 13 85 35 44 2.0-8.9 401/10812=14, ~1309=8...(11) HA ALA 16 - HD2 LYS 19 far 13 84 15 - 3.4-10.2 HA THR 25 - HD3 LYS 24 far 5 94 5 - 3.4-7.5 HA ARG 23 - HD3 LYS 24 far 5 94 5 - 3.7-7.9 HA ARG 23 - HD2 LYS 26 far 5 94 5 - 2.1-11.5 HA ARG 23 - HD3 LYS 26 far 5 94 5 - 3.6-11.3 HA LYS 19 - HD3 LYS 31 far 4 86 5 - 2.1-21.0 HA ALA 15 - HD2 LYS 19 far 4 87 5 - 4.4-12.5 HA LYS 31 - HD2 LYS 26 far 4 85 5 - 3.8-16.5 HA LYS 19 - HD2 LYS 31 far 4 83 5 - 3.8-21.0 HA ARG 23 - HD2 LYS 24 far 0 99 0 - 4.8-8.7 HA ALA 15 - HD3 LYS 19 far 0 81 0 - 4.8-12.5 HA ALA 21 - HD2 LYS 24 far 0 97 0 - 5.0-11.7 HA LYS 31 - HD3 LYS 26 far 0 86 0 - 5.0-16.1 HA LEU 22 - HD3 LYS 31 far 0 76 0 - 5.1-21.9 HA THR 18 - HD3 LYS 19 far 0 82 0 - 5.1-7.8 HA THR 25 - HD2 LYS 24 far 0 99 0 - 5.2-8.2 HA THR 18 - HD2 LYS 19 far 0 87 0 - 5.2-7.4 HA SER 74 - HD3 LYS 19 far 0 81 0 - 5.6-34.0 HA ALA 16 - HD2 LYS 31 far 0 89 0 - 5.6-24.7 HA ALA 15 - HD2 LYS 31 far 0 91 0 - 5.8-26.3 HA ALA 21 - HD3 LYS 24 far 0 90 0 - 5.9-11.8 HA LYS 19 - HD2 LYS 24 far 0 95 0 - 6.1-16.0 HA ARG 23 - HD3 LYS 31 far 0 93 0 - 6.1-18.9 HA THR 18 - HD3 LYS 31 far 0 94 0 - 6.1-23.4 HA ALA 21 - HD2 LYS 26 far 0 89 0 - 6.4-17.5 HA LEU 22 - HD2 LYS 26 far 0 77 0 - 6.5-15.3 HA LYS 19 - HD3 LYS 24 far 0 87 0 - 6.6-15.8 HA ARG 23 - HD2 LYS 31 far 0 90 0 - 6.6-18.6 HA ALA 12 - HD3 LYS 19 far 0 82 0 - 6.6-19.4 HA THR 18 - HD2 LYS 24 far 0 100 0 - 6.6-15.6 HA LYS 31 - HD2 LYS 19 far 0 77 0 - 6.6-20.6 HA LEU 22 - HD2 LYS 31 far 0 73 0 - 6.7-22.4 HA THR 25 - HD2 LYS 31 far 0 90 0 - 6.8-18.4 HA LYS 26 - HD3 LYS 31 far 0 82 0 - 6.9-14.5 HA SER 74 - HD2 LYS 19 far 0 87 0 - 7.0-33.1 HA LEU 22 - HD3 LYS 26 far 0 77 0 - 7.0-14.7 HA GLN 61 - HD2 LYS 26 far 0 94 0 - 7.0-40.9 HA LYS 31 - HD2 LYS 36 far 0 93 0 - 7.2-10.8 HA LYS 26 - HD2 LYS 31 far 0 78 0 - 7.2-14.5 HA LYS 26 - HD3 LYS 24 far 0 83 0 - 7.3-10.3 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 7.3-24.5 HA TYR 76 - HD3 LYS 36 far 0 76 0 - 7.3-10.2 HA ALA 15 - HD3 LYS 31 far 0 94 0 - 7.4-27.2 HA THR 18 - HD2 LYS 31 far 0 91 0 - 7.4-23.7 HA ALA 12 - HD2 LYS 19 far 0 88 0 - 7.5-20.7 HA LYS 36 - HD2 LYS 31 far 0 92 0 - 7.5-14.9 HA ALA 21 - HD2 LYS 19 far 0 81 0 - 7.5-10.6 HA LYS 31 - HD3 LYS 19 far 0 72 0 - 7.5-21.8 HA THR 25 - HD3 LYS 31 far 0 93 0 - 7.5-18.2 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 7.7-10.6 HA LYS 36 - HD3 LYS 26 far 0 95 0 - 7.8-21.2 HA ALA 21 - HD3 LYS 26 far 0 90 0 - 7.9-17.6 HA THR 18 - HD3 LYS 24 far 0 95 0 - 8.1-15.5 HA LYS 36 - HD3 LYS 31 far 0 95 0 - 8.1-15.3 HA TYR 76 - HD2 LYS 36 far 0 76 0 - 8.1-11.9 HA ALA 21 - HD3 LYS 31 far 0 89 0 - 8.1-21.9 HA LYS 36 - HD2 LYS 26 far 0 95 0 - 8.3-21.8 HA GLN 61 - HD3 LYS 24 far 0 95 0 - 8.5-40.4 HA GLN 61 - HD3 LYS 26 far 0 94 0 - 8.5-39.6 HA ARG 23 - HD3 LYS 19 far 0 80 0 - 8.5-12.2 HA TYR 76 - HD3 LYS 19 far 0 55 0 - 8.7-32.5 HA LYS 19 - HD2 LYS 26 far 0 87 0 - 8.7-20.6 HA LYS 31 - HD2 LYS 24 far 0 93 0 - 8.7-21.9 HA ARG 23 - HD2 LYS 19 far 0 86 0 - 8.7-12.4 HA THR 18 - HD2 LYS 26 far 0 95 0 - 8.8-21.0 HA LYS 31 - HD3 LYS 36 far 0 93 0 - 8.8-12.3 HA LYS 26 - HD2 LYS 19 far 0 74 0 - 8.9-18.0 HA LYS 26 - HD2 LYS 24 far 0 90 0 - 8.9-11.0 HA LYS 19 - HD2 LYS 36 far 0 94 0 - 9.0-24.1 HA LYS 19 - HD3 LYS 26 far 0 87 0 - 9.1-19.9 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 9.1-41.6 HA LYS 26 - HD3 LYS 19 far 0 69 0 - 9.1-18.3 HA ALA 110 - HD2 LYS 24 far 0 100 0 - 9.2-49.0 HA ALA 12 - HD3 LYS 26 far 0 95 0 - 9.4-36.0 HA TYR 76 - HD2 LYS 19 far 0 60 0 - 9.5-32.0 HA LYS 31 - HD3 LYS 24 far 0 86 0 - 9.5-22.5 HA ALA 15 - HD3 LYS 26 far 0 94 0 - 9.5-28.9 HA PHE 87 - HD3 LYS 95 far 0 77 0 - 9.5-11.6 HA THR 18 - HD3 LYS 26 far 0 95 0 - 9.6-21.2 HA PHE 87 - HD2 LYS 95 far 0 72 0 - 9.6-11.9 HA ALA 21 - HD2 LYS 31 far 0 86 0 - 9.6-22.3 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 9.7-25.1 HA THR 25 - HD2 LYS 36 far 0 99 0 - 9.7-20.9 HA LEU 22 - HD2 LYS 19 far 0 69 0 - 9.9-12.2 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 67 assignments used, quality = 1.00: * HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.5 3.5=94, 1.8/1031=36...(79) HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.6 3.5=94, 1.8/1031=36...(79) HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-4.2 3.5=92, 482/5.4=25...(39) HB3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.1-3.7 3.5=92, 482/535=36...(39) HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-4.2 3.5=94, 6251/5.7=21...(77) HB3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-4.0 3.5=94, 6251/5.7=21...(77) HB3 LYS 31 + HD3 LYS 31 OK 93 94 100 100 2.0-4.2 3.5=95, 6332/6.2=17...(71) HB3 LYS 31 + HD2 LYS 31 OK 90 91 100 100 2.1-3.8 3.5=95, 6332/6335=18...(71) HB3 LYS 19 + HD2 LYS 19 OK 81 83 100 98 2.9-3.9 3.9=66, 6150/6.2=10...(77) HB3 LYS 19 + HD3 LYS 19 OK 75 77 100 98 2.4-4.2 3.9=66, 6150/6.2=10...(79) HB3 LYS 24 - HD2 LYS 26 far 9 95 10 - 2.5-11.6 HB3 LYS 24 - HD3 LYS 26 far 5 95 5 - 2.8-11.2 HB3 ARG 23 - HD2 LYS 26 far 5 95 5 - 4.3-13.4 HB3 LYS 31 - HD3 LYS 26 far 5 94 5 - 3.8-14.8 HB3 LYS 31 - HD2 LYS 26 far 5 94 5 - 3.5-15.2 HB3 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.3-19.1 HB ILE 32 - HD2 LYS 26 far 0 94 0 - 4.4-15.8 HB ILE 32 - HD3 LYS 31 far 0 93 0 - 4.6-9.2 HB ILE 32 - HD2 LYS 36 far 0 99 0 - 4.6-8.0 HB ILE 32 - HD3 LYS 26 far 0 94 0 - 4.8-14.9 HB3 ARG 23 - HD3 LYS 26 far 0 95 0 - 4.9-13.2 HB ILE 32 - HD2 LYS 31 far 0 90 0 - 4.9-9.0 HB3 LYS 26 - HD3 LYS 31 far 0 94 0 - 5.0-13.1 HB3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.2-13.2 HB3 ARG 23 - HD3 LYS 24 far 0 96 0 - 5.3-8.7 HB ILE 32 - HD3 LYS 36 far 0 99 0 - 5.8-9.4 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 5.8-18.1 HB3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.0-19.2 HB VAL 93 - HD3 LYS 95 far 0 81 0 - 6.0-8.5 HB VAL 93 - HD2 LYS 95 far 0 76 0 - 6.2-8.6 HB3 LYS 31 - HD3 LYS 19 far 0 81 0 - 6.3-19.4 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 6.3-9.4 HB3 ARG 23 - HD3 LYS 31 far 0 95 0 - 6.4-20.4 HB2 LYS 36 - HD2 LYS 31 far 0 92 0 - 6.6-12.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.8-20.9 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.9-20.0 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 7.1-21.4 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 7.1-20.2 HB3 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 26 far 0 95 0 - 7.3-20.6 HB2 LYS 36 - HD3 LYS 31 far 0 95 0 - 7.3-13.1 HB3 LYS 24 - HD3 LYS 31 far 0 94 0 - 7.5-22.0 HB3 LYS 24 - HD2 LYS 31 far 0 91 0 - 7.7-22.1 HB3 LYS 31 - HD3 LYS 24 far 0 95 0 - 8.0-20.4 HB3 LYS 19 - HD2 LYS 24 far 0 97 0 - 8.1-15.6 HB3 ARG 23 - HD3 LYS 19 far 0 82 0 - 8.1-12.3 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.2 HB3 ARG 23 - HD2 LYS 19 far 0 88 0 - 8.2-12.8 HB3 LYS 19 - HD3 LYS 24 far 0 91 0 - 8.3-15.2 HB ILE 32 - HD3 LYS 24 far 0 94 0 - 8.4-23.3 HB3 LYS 26 - HD3 LYS 24 far 0 95 0 - 8.4-12.6 HB3 LYS 19 - HD2 LYS 36 far 0 97 0 - 8.4-23.3 HB ILE 32 - HD3 LYS 19 far 0 80 0 - 8.6-24.3 HB3 LYS 19 - HD3 LYS 36 far 0 97 0 - 8.7-24.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.7-12.8 HB3 LYS 26 - HD3 LYS 19 far 0 82 0 - 8.8-20.0 HB3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.8-17.3 HB2 CYS 79 - HD3 LYS 36 far 0 95 0 - 8.9-12.6 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 8.9-13.1 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-21.9 HB ILE 32 - HD2 LYS 19 far 0 86 0 - 9.2-23.2 HB3 LEU 122 - HD2 LYS 95 far 0 47 0 - 9.5-13.3 HB3 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.5-17.0 HB3 LEU 122 - HD3 LYS 95 far 0 51 0 - 9.6-13.4 HB2 CYS 79 - HD2 LYS 36 far 0 94 0 - 9.6-13.8 HB3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.8-19.8 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 9.8-24.4 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 12 assignments used, quality = 1.00: * HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.5-4.2 3.5=100 HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.2-4.2 3.5=100 HB3 LYS 36 - HD2 LYS 31 far 0 92 0 - 5.8-13.5 HB3 LYS 36 - HD2 LYS 26 far 0 95 0 - 6.3-21.6 HB2 ARG 90 - HD2 LYS 95 far 0 43 0 - 6.3-10.8 HB3 LYS 36 - HD3 LYS 31 far 0 95 0 - 6.8-13.9 HB2 ARG 90 - HD3 LYS 95 far 0 47 0 - 6.9-10.1 HB3 LYS 36 - HD3 LYS 26 far 0 95 0 - 7.4-20.8 HB3 LEU 48 - HD3 LYS 26 far 0 91 0 - 8.0-38.0 HB3 LEU 48 - HD2 LYS 26 far 0 90 0 - 8.7-39.0 HB2 GLU 40 - HD3 LYS 36 far 0 92 0 - 9.6-12.9 HB2 GLU 40 - HD2 LYS 36 far 0 92 0 - 9.9-13.6 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 95 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 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 95 95 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.4-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.2-3.0 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 2.3-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.4-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 81 81 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 79 79 100 100 2.4-3.0 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 77 77 100 100 2.3-3.0 3.0=100 QB ALA 15 - HD2 LYS 19 poor 18 88 20 - 2.2-10.6 QB ALA 15 - HD3 LYS 19 far 8 82 10 - 3.1-10.4 QB ALA 16 - HD2 LYS 19 far 8 81 10 - 2.3-9.2 QB ALA 29 - HD2 LYS 26 far 5 95 5 - 4.1-12.5 HG3 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 92 5 - 3.7-21.3 QB ALA 16 - HD3 LYS 31 far 4 89 5 - 4.1-20.4 QB ALA 28 - HD2 LYS 19 far 4 87 5 - 3.8-16.2 QB ALA 16 - HD2 LYS 31 far 4 86 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 19 lone 0 76 30 2 2.4-9.7 QB ALA 29 - HD3 LYS 26 far 0 95 0 - 4.6-11.8 QB ALA 28 - HD2 LYS 26 far 0 94 0 - 4.6-9.5 QB ALA 28 - HD3 LYS 19 far 0 81 0 - 4.7-17.0 HG3 LYS 31 - HD2 LYS 26 far 0 94 0 - 4.8-16.4 HG2 LYS 24 - HD2 LYS 26 far 0 94 0 - 5.0-12.5 QB ALA 15 - HD3 LYS 31 far 0 95 0 - 5.0-22.0 QB ALA 28 - HD3 LYS 26 far 0 95 0 - 5.0-9.6 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.1-12.5 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.4-11.5 QB ALA 28 - HD3 LYS 31 far 0 94 0 - 5.4-10.1 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.6-20.4 HG2 LYS 24 - HD3 LYS 31 far 0 94 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 92 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 59 0 - 5.9-15.4 QB ALA 28 - HD2 LYS 31 far 0 91 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 65 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 96 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 91 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 83 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 95 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 94 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 6.5-12.9 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 87 0 - 6.8-19.6 HG3 LYS 26 - HD3 LYS 31 far 0 95 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 72 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 95 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 88 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 67 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 95 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 92 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 88 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 100 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 87 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 99 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 92 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 72 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 82 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 99 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 73 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 95 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 96 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 90 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 97 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 100 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 69 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 97 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 89 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 81 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 72 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 97 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 90 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 95 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 100 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 96 0 - 10.0-20.6 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 45 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.6-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 65 65 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 59 59 100 100 2.4-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 56 56 100 100 2.3-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 55 55 100 100 2.2-3.0 2.9=100 HG2 LYS 31 - HD3 LYS 26 far 5 95 5 - 3.8-15.2 HG3 LYS 24 - HD3 LYS 26 far 4 90 5 - 3.7-12.6 HG3 LYS 24 - HD2 LYS 26 far 4 89 5 - 3.9-13.0 QB ALA 92 - HD3 LYS 95 far 2 47 5 - 3.6-6.7 QB ALA 92 - HD2 LYS 95 far 2 43 5 - 3.8-6.7 HG2 LYS 31 - HD2 LYS 26 far 0 95 0 - 4.4-16.1 HG2 LYS 26 - HD3 LYS 31 far 0 55 0 - 5.4-14.1 HG3 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.5-23.5 HG3 LYS 19 - HD3 LYS 26 far 0 73 0 - 6.0-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 52 0 - 6.1-14.1 HG3 LYS 19 - HD3 LYS 31 far 0 72 0 - 6.2-18.7 HG3 LYS 19 - HD2 LYS 26 far 0 72 0 - 6.4-20.6 HG3 LYS 36 - HD3 LYS 26 far 0 95 0 - 6.6-22.6 HG2 LYS 26 - HD2 LYS 36 far 0 63 0 - 6.9-21.0 HG2 LYS 31 - HD2 LYS 19 far 0 88 0 - 6.9-20.3 HG2 LYS 31 - HD2 LYS 36 far 0 100 0 - 7.0-13.1 HG3 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.0-14.5 HG3 LYS 36 - HD3 LYS 31 far 0 95 0 - 7.2-14.6 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 7.5-22.9 HG2 LYS 26 - HD3 LYS 24 far 0 56 0 - 7.5-13.0 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.5-22.6 HG2 LYS 26 - HD3 LYS 36 far 0 63 0 - 7.7-22.7 HG3 LYS 19 - HD2 LYS 31 far 0 69 0 - 7.7-19.0 HG3 LYS 24 - HD2 LYS 31 far 0 86 0 - 7.9-22.8 HG2 LYS 26 - HD2 LYS 24 far 0 63 0 - 7.9-13.6 HG2 LYS 31 - HD3 LYS 24 far 0 95 0 - 7.9-22.0 QB ALA 52 - HD2 LYS 26 far 0 72 0 - 8.0-36.3 QB ALA 52 - HD3 LYS 26 far 0 73 0 - 8.2-35.4 HG2 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.3-20.6 HG LEU 42 - HD3 LYS 36 far 0 63 0 - 8.3-11.7 HG LEU 42 - HD2 LYS 36 far 0 63 0 - 8.4-13.0 HG2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.4-14.7 HG2 LYS 26 - HD3 LYS 19 far 0 45 0 - 8.9-21.1 HG3 LYS 24 - HD2 LYS 19 far 0 81 0 - 9.5-15.6 HG3 LYS 19 - HD2 LYS 24 far 0 81 0 - 9.9-15.8 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 89 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 87 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 93 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 89 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 93 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 86 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 83 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 93 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 71 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 95 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 92 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 88 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 82 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 95 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 67 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 73 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.9-20.9 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 89 assignments used, quality = 1.00: HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 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 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD3 LYS 26 far 4 87 5 - 3.7-14.5 HE3 LYS 24 - HD2 LYS 26 far 0 87 0 - 4.8-14.1 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 4.9-15.0 HE3 LYS 31 - HD3 LYS 24 far 0 93 0 - 5.0-22.9 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 5.1-11.5 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-22.6 HE2 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.5-23.0 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 5.5-23.0 HE2 LYS 24 - HD2 LYS 31 far 0 89 0 - 5.5-24.6 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.6-24.6 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.6-12.9 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 5.8-12.0 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-14.2 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.8-12.5 HE2 LYS 24 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.1-24.2 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.1-16.8 HE2 LYS 24 - HD2 LYS 26 far 0 93 0 - 6.1-14.2 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.1-22.2 HE3 LYS 24 - HD3 LYS 31 far 0 86 0 - 6.1-24.9 HE2 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.2-16.5 HE3 LYS 24 - HD2 LYS 31 far 0 83 0 - 6.2-24.8 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.2-23.7 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.3-16.7 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 6.4-16.8 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.5-22.1 HE3 LYS 31 - HD2 LYS 26 far 0 93 0 - 6.5-16.6 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.5-22.5 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.5 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.8-16.1 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 6.9-18.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 7.1-13.7 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.3-21.5 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.5-22.4 HB2 CYS 45 - HD2 LYS 36 far 0 71 0 - 7.5-11.5 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 7.6-10.7 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.6-22.4 HE3 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.7-16.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 7.7-16.7 HE2 LYS 26 - HD3 LYS 31 far 0 95 0 - 7.8-17.1 HE3 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.0-25.9 HE3 LYS 19 - HD2 LYS 36 far 0 100 0 - 8.0-24.8 HE2 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.0-22.0 HE3 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.0-16.3 HE3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.2-18.5 HE2 LYS 36 - HD2 LYS 31 far 0 92 0 - 8.2-15.6 HE2 LYS 31 - HD2 LYS 19 far 0 88 0 - 8.2-20.6 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 8.5-22.7 HE2 LYS 26 - HD3 LYS 19 far 0 82 0 - 8.5-22.4 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.5-13.1 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 8.5-17.5 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.5-21.7 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-23.4 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.5-24.6 HE2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.7-22.5 HE2 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.7-22.4 HE2 LYS 19 - HD3 LYS 36 far 0 100 0 - 8.9-27.6 HE3 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.9-23.1 HE2 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.9-20.8 HE2 LYS 36 - HD3 LYS 31 far 0 95 0 - 9.1-15.3 HE3 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.1-23.7 HE2 LYS 19 - HD2 LYS 36 far 0 100 0 - 9.2-26.4 HE2 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.2-22.5 HB3 ASN 121 - HD2 LYS 95 far 0 67 0 - 9.5-12.0 HE3 LYS 24 - HD3 LYS 19 far 0 73 0 - 9.5-18.3 HE2 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-17.8 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 9.6-11.7 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 9.8-25.4 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 1051 from aliabs.peaks (4.28, 2.96, 41.80 ppm; 5.87 A): 17 out of 94 assignments used, quality = 1.00: HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 4.7-6.5 6.0=95, 3.0/1064=51...(22) * HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 5.6-6.5 6.0=95, 3.0/1064=40...(22) HA THR 25 + HE3 LYS 26 OK 94 99 95 100 3.2-7.5 11150/3.6=93, 9587=67...(13) HA LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.0-6.1 6.5=75, 822/3.7=34...(28) HA LYS 19 + HE2 LYS 19 OK 92 93 100 100 4.1-6.6 6.4=78, 271/3.8=31...(35) HA LYS 19 + HE3 LYS 19 OK 92 93 100 100 4.2-6.1 6.4=78, 271/3.8=31...(35) HA THR 25 + HE2 LYS 26 OK 89 99 90 100 2.8-7.9 11150/3.6=93...(13) HA LYS 26 + HE2 LYS 26 OK 89 90 100 99 2.8-6.5 6.6=71, 627/3.6=30...(23) HA LYS 26 + HE3 LYS 26 OK 89 90 100 99 3.2-6.0 6.6=71, 627/3.6=30...(23) HA LYS 31 + HE3 LYS 31 OK 87 88 100 100 2.6-6.0 6.5=75, 822/3.7=34...(28) HA PHE 87 + HE3 LYS 86 OK 47 60 80 97 4.4-7.9 2724/2646=51...(9) HA THR 25 + HE2 LYS 24 OK 26 96 30 92 6.1-9.0 11128/5.1=44, ~544=36...(11) HA THR 18 + HE3 LYS 19 OK 24 99 25 95 4.8-9.2 ~10696=65, 226/7.3=49...(8) HA LEU 22 + HE2 LYS 24 OK 23 79 65 44 3.1-8.8 11967/4.0=14...(8) HA ARG 23 + HE2 LYS 24 OK 21 96 30 73 4.5-9.3 424/7.4=48, 1018/4.0=13...(12) HA LEU 22 + HE3 LYS 24 OK 21 65 60 53 2.1-8.7 11967/4.0=14...(9) HA ARG 23 + HE3 LYS 24 OK 21 82 35 72 4.1-9.5 424/7.4=48, 1018/4.0=13...(12) HA THR 25 - HE3 LYS 24 poor 19 82 25 91 4.8-9.1 11128/5.1=44, ~544=36...(9) HA ALA 21 - HE3 LYS 24 poor 15 77 20 - 4.9-11.8 HA ARG 23 - HE2 LYS 26 far 15 99 15 - 3.6-11.8 HA ALA 15 - HE3 LYS 19 far 15 99 15 - 5.6-14.5 HA ALA 21 - HE2 LYS 24 far 14 92 15 - 6.3-12.4 HA ARG 23 - HE3 LYS 26 far 10 99 10 - 3.1-11.4 HA ARG 23 - HE2 LYS 31 far 10 99 10 - 4.9-18.7 HA THR 25 - HE2 LYS 31 far 10 99 10 - 5.1-18.0 HA THR 18 - HE2 LYS 19 far 10 99 10 - 6.1-8.5 HA THR 25 - HE3 LYS 31 far 10 96 10 - 4.9-17.1 HA ARG 23 - HE3 LYS 31 far 10 96 10 - 5.5-19.0 HA LYS 19 - HE2 LYS 24 far 9 89 10 - 3.8-14.9 HA LYS 19 - HE3 LYS 31 far 9 89 10 - 3.8-22.2 HA LEU 22 - HE3 LYS 31 far 8 79 10 - 6.3-24.0 HA LYS 19 - HE3 LYS 24 far 7 75 10 - 4.4-14.4 HA ALA 12 - HE2 LYS 19 far 5 99 5 - 5.8-19.1 HA ALA 12 - HE3 LYS 19 far 5 99 5 - 6.0-19.5 HA SER 74 - HE2 LYS 19 far 5 99 5 - 5.0-34.2 HA SER 74 - HE3 LYS 19 far 5 99 5 - 6.5-33.5 HA THR 18 - HE2 LYS 24 far 5 97 5 - 5.8-15.2 HA LYS 19 - HE2 LYS 31 far 5 94 5 - 4.9-21.3 HA LYS 31 - HE2 LYS 26 far 5 93 5 - 6.2-16.8 HA LYS 31 - HE3 LYS 26 far 5 93 5 - 4.7-17.0 HA LYS 31 - HE3 LYS 19 far 5 92 5 - 6.1-21.9 HA LYS 26 - HE2 LYS 31 far 5 90 5 - 6.5-14.4 HA LEU 22 - HE2 LYS 31 far 4 85 5 - 4.9-22.6 HA TYR 76 - HE2 LYS 19 far 4 74 5 - 6.5-31.7 HA ALA 16 - HE2 LYS 19 lone 3 97 40 7 3.7-12.6 HA ALA 16 - HE3 LYS 19 lone 2 97 30 7 4.0-12.0 HA ALA 15 - HE2 LYS 19 lone 0 99 25 2 4.2-14.7 HA LYS 31 - HE2 LYS 19 far 0 92 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 100 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 96 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 70 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 83 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 85 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 84 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 69 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 94 0 - 7.5-25.7 HA TYR 76 - HE3 LYS 19 far 0 74 0 - 7.5-30.8 HA GLN 61 - HE3 LYS 26 far 0 99 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 85 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 96 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 7.9-24.3 HA TYR 76 - HE2 LYS 36 far 0 76 0 - 8.0-11.7 HA LYS 31 - HE2 LYS 36 far 0 93 0 - 8.0-12.2 HA TYR 76 - HE3 LYS 36 far 0 76 0 - 8.0-12.3 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 97 0 - 8.1-14.2 HA TYR 76 - HE3 LYS 86 far 0 46 0 - 8.2-9.3 HA LYS 26 - HE2 LYS 19 far 0 89 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 100 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 100 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 96 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 85 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 100 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 94 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 95 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 93 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 96 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 73 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 89 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 100 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 88 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 92 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 96 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 83 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 100 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 83 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 100 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 97 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 83 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 96 0 - 10.0-41.1 Violated in 0 structures by 0.00 A. Peak 1052 from aliabs.peaks (1.82, 2.96, 41.80 ppm; 5.89 A): 15 out of 71 assignments used, quality = 1.00: HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 * HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-4.7 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 41 96 45 96 5.1-9.8 10825=31, 10825/1.8=26...(41) HB ILE 32 + HE2 LYS 26 OK 35 99 35 100 4.9-16.7 10833/3.0=89, ~10767=56...(30) HB ILE 32 + HE2 LYS 31 OK 33 99 35 96 5.0-10.0 10825/1.8=34, 10825=28...(35) HB ILE 32 + HE3 LYS 26 OK 25 99 25 100 4.6-16.1 10833/3.0=89, ~10767=56...(30) HB3 ARG 23 - HE3 LYS 24 poor 17 84 20 - 4.8-9.8 HB3 LYS 24 - HE2 LYS 26 far 15 100 15 - 2.3-11.2 HB3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.9-13.4 HB3 LYS 19 - HE2 LYS 31 far 15 97 15 - 6.1-19.6 HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.3-10.0 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 31 far 10 100 10 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 26 far 10 100 10 - 4.7-12.6 HB ILE 32 - HE2 LYS 36 far 10 99 10 - 4.4-10.1 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.9-19.8 HB3 LYS 19 - HE3 LYS 31 far 9 93 10 - 4.9-20.5 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 6.2-21.1 HB2 LYS 36 - HE3 LYS 26 far 5 100 5 - 6.2-21.3 HB3 LYS 31 - HE3 LYS 26 far 5 99 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 31 - HE3 LYS 19 far 5 99 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 26 far 5 97 5 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 5 97 5 - 6.7-12.2 HB3 LYS 24 - HE3 LYS 31 far 5 97 5 - 5.6-21.1 HB3 LYS 19 - HE2 LYS 24 far 5 93 5 - 6.3-15.6 HB3 LYS 19 - HE3 LYS 24 far 4 78 5 - 5.9-15.4 HB3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 62 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 83 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 98 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 96 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 96 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 64 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 100 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 97 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 98 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 100 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 82 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 95 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 70 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 97 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 95 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 93 0 - 10.0-34.6 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 15 assignments used, quality = 1.00: HB3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.5-5.3 4.9=100 * HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HB3 LYS 36 - HE3 LYS 31 far 10 97 10 - 6.6-13.9 HB2 ARG 90 - HE3 LYS 86 lone 3 35 75 12 5.1-9.1 2.9/327=5, 11200/9660=4 HB3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-13.1 HB3 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.2-21.2 HB3 ARG 84 - HE3 LYS 86 far 0 51 0 - 7.5-10.2 HB3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.6-21.1 HB2 GLU 40 - HE3 LYS 36 far 0 92 0 - 7.9-14.2 HB3 LEU 48 - HE2 LYS 26 far 0 97 0 - 8.0-38.1 HB2 ARG 135 - HE3 LYS 86 far 0 69 0 - 8.2-13.7 HB2 GLU 40 - HE2 LYS 36 far 0 92 0 - 9.2-14.0 HB3 LEU 48 - HE3 LYS 26 far 0 97 0 - 9.3-39.0 HB3 LEU 48 - HE2 LYS 24 far 0 93 0 - 9.7-37.8 HB3 LEU 48 - HE3 LYS 24 far 0 78 0 - 9.8-37.2 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 79 assignments used, quality = 1.00: * HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.7-4.1 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.0-4.2 4.0=100 QB ALA 16 - HE2 LYS 19 poor 19 95 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 14 95 15 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 8 79 10 - 4.0-16.7 QB ALA 29 - HE2 LYS 26 far 5 100 5 - 4.4-12.8 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.8-12.5 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.7-11.5 QB ALA 28 - HE2 LYS 19 far 5 99 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 99 5 - 3.2-17.3 QB ALA 16 - HE2 LYS 31 far 5 96 5 - 4.9-20.9 HG2 LYS 24 - HE3 LYS 31 far 5 96 5 - 4.3-21.5 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 4.7-22.0 HG3 LYS 26 - HE3 LYS 24 far 4 84 5 - 4.3-13.1 QB ALA 12 - HE3 LYS 19 far 4 79 5 - 3.8-17.0 HG3 LYS 31 - HE3 LYS 26 far 0 99 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 97 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 100 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 97 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 99 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 96 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 96 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 97 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 84 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 96 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 93 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 75 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 92 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 83 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 83 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 78 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 97 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 84 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 77 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 80 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 80 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 80 0 - 9.8-29.7 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 46 assignments used, quality = 1.00: HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.1-4.0 4.0=100 * HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.5-3.9 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 2.1-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.2-4.2 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 2.0-4.2 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 63 63 100 100 2.3-4.2 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 3.5-3.8 3.7=100 HG2 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 96 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 96 5 - 4.4-11.8 HG3 LYS 24 - HE2 LYS 31 far 0 96 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 46 0 - 5.7-14.5 HG3 LYS 24 - HE3 LYS 31 far 0 92 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-16.7 HG LEU 42 - HE2 LYS 36 far 0 63 0 - 6.0-12.3 HG3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 80 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 63 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 75 0 - 6.7-20.3 HG LEU 42 - HE3 LYS 36 far 0 63 0 - 6.7-12.4 HG2 LYS 31 - HE2 LYS 24 far 0 97 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 80 0 - 7.1-19.3 HG2 LYS 26 - HE2 LYS 24 far 0 58 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-12.8 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 84 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 80 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 80 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 75 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 80 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 61 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 63 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 95 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 35 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 63 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 61 0 - 9.8-20.6 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 94 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 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 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 68 68 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 83 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 83 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 81 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 90 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 42 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 76 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 85 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 73 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 84 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 83 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 82 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 44 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 49 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 77 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 89 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 87 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 75 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 87 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-20.9 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): 17 out of 94 assignments used, quality = 1.00: * HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 4.7-6.5 6.0=95, 3.0/1064=51...(22) HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 5.6-6.5 6.0=95, 3.0/1064=40...(22) HA THR 25 + HE3 LYS 26 OK 94 99 95 100 3.2-7.5 11150/3.6=93, 9587=67...(13) HA LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.0-6.1 6.5=75, 822/3.7=34...(28) HA LYS 19 + HE2 LYS 19 OK 92 93 100 100 4.1-6.6 6.4=78, 271/3.8=31...(35) HA LYS 19 + HE3 LYS 19 OK 92 93 100 100 4.2-6.1 6.4=78, 271/3.8=31...(35) HA THR 25 + HE2 LYS 26 OK 89 99 90 100 2.8-7.9 11150/3.6=93...(13) HA LYS 26 + HE2 LYS 26 OK 89 90 100 99 2.8-6.5 6.6=71, 627/3.6=30...(23) HA LYS 26 + HE3 LYS 26 OK 89 90 100 99 3.2-6.0 6.6=71, 627/3.6=30...(23) HA LYS 31 + HE3 LYS 31 OK 87 88 100 100 2.6-6.0 6.5=75, 822/3.7=34...(28) HA PHE 87 + HE3 LYS 86 OK 47 60 80 97 4.4-7.9 2724/2646=51...(9) HA THR 25 + HE2 LYS 24 OK 26 96 30 92 6.1-9.0 11128/5.1=44, ~544=36...(11) HA THR 18 + HE3 LYS 19 OK 24 99 25 95 4.8-9.2 ~10696=65, 226/7.3=49...(8) HA LEU 22 + HE2 LYS 24 OK 23 79 65 44 3.1-8.8 11967/4.0=14...(8) HA ARG 23 + HE2 LYS 24 OK 21 96 30 73 4.5-9.3 424/7.4=48, 1018/4.0=13...(12) HA LEU 22 + HE3 LYS 24 OK 21 65 60 53 2.1-8.7 11967/4.0=14...(9) HA ARG 23 + HE3 LYS 24 OK 21 82 35 72 4.1-9.5 424/7.4=48, 1018/4.0=13...(12) HA THR 25 - HE3 LYS 24 poor 19 82 25 91 4.8-9.1 11128/5.1=44, ~544=36...(9) HA ALA 21 - HE3 LYS 24 poor 15 77 20 - 4.9-11.8 HA ARG 23 - HE2 LYS 26 far 15 99 15 - 3.6-11.8 HA ALA 15 - HE3 LYS 19 far 15 99 15 - 5.6-14.5 HA ALA 21 - HE2 LYS 24 far 14 92 15 - 6.3-12.4 HA ARG 23 - HE3 LYS 26 far 10 99 10 - 3.1-11.4 HA ARG 23 - HE2 LYS 31 far 10 99 10 - 4.9-18.7 HA THR 25 - HE2 LYS 31 far 10 99 10 - 5.1-18.0 HA THR 18 - HE2 LYS 19 far 10 99 10 - 6.1-8.5 HA THR 25 - HE3 LYS 31 far 10 96 10 - 4.9-17.1 HA ARG 23 - HE3 LYS 31 far 10 96 10 - 5.5-19.0 HA LYS 19 - HE2 LYS 24 far 9 89 10 - 3.8-14.9 HA LYS 19 - HE3 LYS 31 far 9 89 10 - 3.8-22.2 HA LEU 22 - HE3 LYS 31 far 8 79 10 - 6.3-24.0 HA LYS 19 - HE3 LYS 24 far 7 75 10 - 4.4-14.4 HA ALA 12 - HE2 LYS 19 far 5 99 5 - 5.8-19.1 HA ALA 12 - HE3 LYS 19 far 5 99 5 - 6.0-19.5 HA SER 74 - HE2 LYS 19 far 5 99 5 - 5.0-34.2 HA SER 74 - HE3 LYS 19 far 5 99 5 - 6.5-33.5 HA THR 18 - HE2 LYS 24 far 5 97 5 - 5.8-15.2 HA LYS 19 - HE2 LYS 31 far 5 94 5 - 4.9-21.3 HA LYS 31 - HE2 LYS 26 far 5 93 5 - 6.2-16.8 HA LYS 31 - HE3 LYS 26 far 5 93 5 - 4.7-17.0 HA LYS 31 - HE3 LYS 19 far 5 92 5 - 6.1-21.9 HA LYS 26 - HE2 LYS 31 far 5 90 5 - 6.5-14.4 HA LEU 22 - HE2 LYS 31 far 4 85 5 - 4.9-22.6 HA TYR 76 - HE2 LYS 19 far 4 74 5 - 6.5-31.7 HA ALA 16 - HE2 LYS 19 lone 3 97 40 7 3.7-12.6 HA ALA 16 - HE3 LYS 19 lone 2 97 30 7 4.0-12.0 HA ALA 15 - HE2 LYS 19 lone 0 99 25 2 4.2-14.7 HA LYS 31 - HE2 LYS 19 far 0 92 0 - 6.8-21.9 HA ALA 15 - HE2 LYS 31 far 0 100 0 - 6.8-24.8 HA ALA 15 - HE3 LYS 31 far 0 96 0 - 6.9-26.0 HA LYS 26 - HE3 LYS 24 far 0 70 0 - 7.1-11.8 HA THR 18 - HE3 LYS 24 far 0 83 0 - 7.2-14.7 HA LEU 22 - HE2 LYS 26 far 0 85 0 - 7.2-15.6 HA LEU 22 - HE3 LYS 26 far 0 84 0 - 7.3-13.9 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 7.3-13.1 HA SER 74 - HE3 LYS 86 far 0 69 0 - 7.4-12.0 HA ALA 16 - HE3 LYS 31 far 0 94 0 - 7.5-25.7 HA TYR 76 - HE3 LYS 19 far 0 74 0 - 7.5-30.8 HA GLN 61 - HE3 LYS 26 far 0 99 0 - 7.5-41.0 HA LYS 26 - HE3 LYS 31 far 0 85 0 - 7.5-13.4 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.6-11.0 HA ALA 21 - HE2 LYS 26 far 0 96 0 - 7.7-18.0 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 7.9-24.3 HA TYR 76 - HE2 LYS 36 far 0 76 0 - 8.0-11.7 HA LYS 31 - HE2 LYS 36 far 0 93 0 - 8.0-12.2 HA TYR 76 - HE3 LYS 36 far 0 76 0 - 8.0-12.3 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.1-25.1 HA LYS 36 - HE3 LYS 31 far 0 97 0 - 8.1-14.2 HA TYR 76 - HE3 LYS 86 far 0 46 0 - 8.2-9.3 HA LYS 26 - HE2 LYS 19 far 0 89 0 - 8.3-17.6 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 8.3-12.3 HA LYS 36 - HE3 LYS 26 far 0 100 0 - 8.3-21.5 HA GLN 61 - HE2 LYS 26 far 0 100 0 - 8.4-39.9 HA ALA 21 - HE3 LYS 26 far 0 96 0 - 8.5-16.4 HA LYS 26 - HE2 LYS 24 far 0 85 0 - 8.5-12.2 HA THR 18 - HE2 LYS 31 far 0 100 0 - 8.6-24.0 HA LYS 19 - HE2 LYS 26 far 0 94 0 - 8.6-20.6 HA ALA 21 - HE2 LYS 19 far 0 95 0 - 8.6-11.4 HA LYS 31 - HE3 LYS 36 far 0 93 0 - 8.7-12.9 HA ALA 21 - HE2 LYS 31 far 0 96 0 - 8.7-23.0 HA LYS 31 - HE3 LYS 24 far 0 73 0 - 8.7-23.8 HA LYS 26 - HE3 LYS 19 far 0 89 0 - 8.7-18.1 HA LYS 36 - HE2 LYS 26 far 0 100 0 - 8.7-21.8 HA LYS 31 - HE2 LYS 24 far 0 88 0 - 9.1-23.8 HA ALA 21 - HE3 LYS 31 far 0 92 0 - 9.2-24.3 HA SER 74 - HE2 LYS 24 far 0 96 0 - 9.3-36.8 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 9.3-14.1 HA SER 74 - HE3 LYS 24 far 0 83 0 - 9.3-37.4 HA ALA 12 - HE2 LYS 26 far 0 100 0 - 9.4-36.1 HA GLN 61 - HE3 LYS 24 far 0 83 0 - 9.8-39.6 HA THR 18 - HE2 LYS 26 far 0 100 0 - 9.8-21.3 HA ALA 12 - HE3 LYS 31 far 0 97 0 - 9.9-33.7 HA LEU 22 - HE3 LYS 19 far 0 83 0 - 9.9-13.0 HA GLN 61 - HE2 LYS 24 far 0 96 0 - 10.0-41.1 Violated in 0 structures by 0.00 A. Peak 1063 from aliabs.peaks (1.82, 2.96, 41.80 ppm; 5.89 A): 15 out of 71 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.4 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.6 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.9-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.4 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.3 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-5.5 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-5.4 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-4.7 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.6-5.3 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 1.8-4.5 4.9=100 HB ILE 32 + HE3 LYS 31 OK 41 96 45 96 5.1-9.8 10825=31, 10825/1.8=26...(41) HB ILE 32 + HE2 LYS 26 OK 35 99 35 100 4.9-16.7 10833/3.0=89, ~10767=56...(30) HB ILE 32 + HE2 LYS 31 OK 33 99 35 96 5.0-10.0 10825/1.8=34, 10825=28...(35) HB ILE 32 + HE3 LYS 26 OK 25 99 25 100 4.6-16.1 10833/3.0=89, ~10767=56...(30) HB3 ARG 23 - HE3 LYS 24 poor 17 84 20 - 4.8-9.8 HB3 LYS 24 - HE2 LYS 26 far 15 100 15 - 2.3-11.2 HB3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.9-13.4 HB3 LYS 19 - HE2 LYS 31 far 15 97 15 - 6.1-19.6 HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.3-10.0 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 3.1-12.7 HB3 LYS 24 - HE3 LYS 26 far 10 100 10 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 31 far 10 100 10 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 26 far 10 100 10 - 4.7-12.6 HB ILE 32 - HE2 LYS 36 far 10 99 10 - 4.4-10.1 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.9-19.8 HB3 LYS 19 - HE3 LYS 31 far 9 93 10 - 4.9-20.5 HB3 LYS 24 - HE2 LYS 31 far 5 100 5 - 5.0-21.5 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 6.2-21.1 HB2 LYS 36 - HE3 LYS 26 far 5 100 5 - 6.2-21.3 HB3 LYS 31 - HE3 LYS 26 far 5 99 5 - 4.8-15.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.0-15.4 HB3 ARG 23 - HE3 LYS 19 far 5 99 5 - 5.9-13.1 HB ILE 32 - HE3 LYS 36 far 5 99 5 - 6.1-10.4 HB3 LYS 31 - HE3 LYS 19 far 5 99 5 - 4.4-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.4-20.0 HB3 LYS 19 - HE2 LYS 26 far 5 97 5 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 5 97 5 - 6.7-12.2 HB3 LYS 24 - HE3 LYS 31 far 5 97 5 - 5.6-21.1 HB3 LYS 19 - HE2 LYS 24 far 5 93 5 - 6.3-15.6 HB3 LYS 19 - HE3 LYS 24 far 4 78 5 - 5.9-15.4 HB3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.1-11.6 HB2 CYS 79 - HE3 LYS 86 far 0 62 0 - 7.2-10.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 83 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 98 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 96 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 96 0 - 8.0-21.6 HB VAL 93 - HE3 LYS 86 far 0 64 0 - 8.2-12.0 HB3 ARG 23 - HE3 LYS 36 far 0 100 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.5-17.9 HB3 LYS 26 - HE2 LYS 24 far 0 97 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 98 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 100 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 82 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.3-19.5 HB2 CYS 79 - HE3 LYS 36 far 0 95 0 - 9.3-15.4 HB3 ARG 135 - HE3 LYS 86 far 0 70 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 97 0 - 9.6-24.7 HB3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.9-20.5 HB2 CYS 79 - HE2 LYS 36 far 0 95 0 - 9.9-14.5 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 10.0-19.9 HB2 CYS 79 - HE2 LYS 19 far 0 93 0 - 10.0-34.6 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 15 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.5-5.3 4.9=100 HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.6-5.4 4.9=100 HB3 LYS 36 - HE3 LYS 31 far 10 97 10 - 6.6-13.9 HB2 ARG 90 - HE3 LYS 86 lone 3 35 75 12 5.1-9.1 2.9/327=5, 11200/9660=4 HB3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-13.1 HB3 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.2-21.2 HB3 ARG 84 - HE3 LYS 86 far 0 51 0 - 7.5-10.2 HB3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.6-21.1 HB2 GLU 40 - HE3 LYS 36 far 0 92 0 - 7.9-14.2 HB3 LEU 48 - HE2 LYS 26 far 0 97 0 - 8.0-38.1 HB2 ARG 135 - HE3 LYS 86 far 0 69 0 - 8.2-13.7 HB2 GLU 40 - HE2 LYS 36 far 0 92 0 - 9.2-14.0 HB3 LEU 48 - HE3 LYS 26 far 0 97 0 - 9.3-39.0 HB3 LEU 48 - HE2 LYS 24 far 0 93 0 - 9.7-37.8 HB3 LEU 48 - HE3 LYS 24 far 0 78 0 - 9.8-37.2 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 79 assignments used, quality = 1.00: HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 * HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-4.0 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-4.2 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-3.9 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-4.2 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.7-4.1 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.0-4.2 4.0=100 QB ALA 16 - HE2 LYS 19 poor 19 95 20 - 3.3-11.4 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.1-11.2 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 3.2-11.4 QB ALA 16 - HE3 LYS 19 far 14 95 15 - 4.2-11.0 QB ALA 12 - HE2 LYS 19 far 8 79 10 - 4.0-16.7 QB ALA 29 - HE2 LYS 26 far 5 100 5 - 4.4-12.8 QB ALA 15 - HE2 LYS 31 far 5 100 5 - 4.7-19.7 QB ALA 29 - HE2 LYS 31 far 5 100 5 - 4.7-10.3 HG2 LYS 24 - HE2 LYS 31 far 5 100 5 - 4.0-21.2 HG2 LYS 24 - HE2 LYS 26 far 5 100 5 - 4.8-12.5 QB ALA 28 - HE2 LYS 31 far 5 100 5 - 4.8-10.9 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 4.7-11.5 QB ALA 28 - HE2 LYS 19 far 5 99 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 5 99 5 - 3.2-17.3 QB ALA 16 - HE2 LYS 31 far 5 96 5 - 4.9-20.9 HG2 LYS 24 - HE3 LYS 31 far 5 96 5 - 4.3-21.5 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 4.7-22.0 HG3 LYS 26 - HE3 LYS 24 far 4 84 5 - 4.3-13.1 QB ALA 12 - HE3 LYS 19 far 4 79 5 - 3.8-17.0 HG3 LYS 31 - HE3 LYS 26 far 0 99 0 - 5.2-15.5 QB ALA 15 - HE3 LYS 31 far 0 97 0 - 5.3-20.9 QB ALA 29 - HE3 LYS 26 far 0 100 0 - 5.3-12.0 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 5.3-9.8 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 5.3-10.3 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 5.7-14.7 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.7-10.5 HG3 LYS 26 - HE2 LYS 24 far 0 97 0 - 5.9-12.5 HB2 LEU 42 - HE3 LYS 36 far 0 99 0 - 5.9-12.4 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.1-12.1 QB ALA 28 - HE3 LYS 31 far 0 96 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.2-20.2 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 6.4-13.6 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 96 0 - 6.5-22.2 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.6-14.4 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.6-12.6 QB ALA 29 - HE2 LYS 24 far 0 97 0 - 6.8-17.3 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 6.9-20.3 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 6.9-19.2 HG2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.0-21.9 QB ALA 29 - HE3 LYS 24 far 0 84 0 - 7.0-17.4 QB ALA 28 - HE2 LYS 24 far 0 96 0 - 7.1-14.7 HG2 LYS 19 - HE2 LYS 24 far 0 93 0 - 7.1-17.3 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-23.8 QB ALA 12 - HE3 LYS 31 far 0 75 0 - 7.2-28.5 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 92 0 - 7.3-17.2 QB ALA 28 - HE3 LYS 24 far 0 83 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 83 0 - 7.4-22.4 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.5-23.6 HG2 LYS 19 - HE3 LYS 24 far 0 78 0 - 7.8-16.2 QB ALA 15 - HE2 LYS 24 far 0 97 0 - 7.8-21.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 7.8-19.1 QB ALA 15 - HE3 LYS 24 far 0 84 0 - 7.9-20.7 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.3-20.9 QB ALA 16 - HE3 LYS 24 far 0 77 0 - 8.3-17.5 HG2 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.4-18.7 QB ALA 12 - HE2 LYS 26 far 0 80 0 - 8.5-30.9 QB ALA 12 - HE2 LYS 31 far 0 80 0 - 8.5-27.4 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.6-16.0 HG2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.7-14.1 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.7-13.9 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.8-13.8 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-12.9 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-22.5 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.6-15.3 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.7-34.0 HG3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-21.9 QB ALA 12 - HE3 LYS 26 far 0 80 0 - 9.8-29.7 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 46 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.5-3.9 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 2.1-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.2-4.2 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 2.0-4.2 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 63 63 100 100 2.3-4.2 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 3.5-3.8 3.7=100 HG2 LYS 31 - HE3 LYS 26 far 5 100 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 5 96 5 - 4.0-12.7 HG3 LYS 24 - HE3 LYS 26 far 5 96 5 - 4.4-11.8 HG3 LYS 24 - HE2 LYS 31 far 0 96 0 - 5.6-22.4 HG3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-23.2 HG2 LYS 26 - HE3 LYS 24 far 0 46 0 - 5.7-14.5 HG3 LYS 24 - HE3 LYS 31 far 0 92 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-16.7 HG LEU 42 - HE2 LYS 36 far 0 63 0 - 6.0-12.3 HG3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.2-22.9 HG3 LYS 19 - HE2 LYS 26 far 0 80 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 63 0 - 6.5-14.2 HG3 LYS 19 - HE3 LYS 31 far 0 75 0 - 6.7-20.3 HG LEU 42 - HE3 LYS 36 far 0 63 0 - 6.7-12.4 HG2 LYS 31 - HE2 LYS 24 far 0 97 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.0-20.9 HG3 LYS 19 - HE2 LYS 31 far 0 80 0 - 7.1-19.3 HG2 LYS 26 - HE2 LYS 24 far 0 58 0 - 7.1-13.9 HG3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.2-12.8 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 7.4-14.5 HG2 LYS 31 - HE3 LYS 24 far 0 84 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 80 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 80 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.7-15.3 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.0-21.1 HG3 LYS 19 - HE2 LYS 24 far 0 75 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 80 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 61 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 63 0 - 8.3-22.8 HG3 LYS 24 - HE2 LYS 19 far 0 95 0 - 8.5-16.5 QB ALA 92 - HE3 LYS 86 far 0 35 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 63 0 - 8.9-21.9 HG2 LYS 26 - HE2 LYS 19 far 0 61 0 - 9.8-20.6 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 94 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 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 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 68 68 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 83 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 83 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 81 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 90 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 42 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 76 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 85 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 73 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 4 84 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 84 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 83 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 82 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 44 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 49 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 99 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 77 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 89 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 87 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 75 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 87 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-20.9 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 2.7-3.0 3.0=100 HB2 PRO 58 - HA SER 60 far 0 52 0 - 4.8-5.1 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 13 assignments used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 100 100 2.0-2.2 3.2=100 QG2 VAL 63 + HA SER 60 OK 41 45 100 91 1.8-3.6 2.1/2020=48...(13) QD1 LEU 62 - HA SER 60 far 0 50 0 - 5.6-6.9 QG2 VAL 112 - HA SER 60 far 0 65 0 - 7.9-12.0 QD1 LEU 119 - HA SER 60 far 0 70 0 - 7.9-10.1 QG1 VAL 57 - HA SER 60 far 0 68 0 - 8.0-8.6 QG1 VAL 105 - HA SER 60 far 0 54 0 - 8.0-9.9 QD1 LEU 49 - HA SER 60 far 0 48 0 - 8.4-12.1 QD1 LEU 48 - HA SER 60 far 0 43 0 - 9.4-12.4 QD1 LEU 49 - HA ILE 37 far 0 78 0 - 9.4-14.4 QG1 VAL 126 - HA ILE 37 far 0 78 0 - 9.6-12.0 QD1 LEU 48 - HA ILE 37 far 0 71 0 - 9.8-12.6 QG1 VAL 20 - HA ILE 37 far 0 68 0 - 9.9-23.7 Violated in 0 structures by 0.00 A. Peak 1076 from aliabs.peaks (1.27, 4.02, 61.09 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HA ILE 37 OK 100 100 100 100 3.3-3.5 1097=100, 2.1/1113=86...(30) HB3 LEU 43 - HA ILE 37 far 0 95 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 1077 from aliabs.peaks (1.55, 4.02, 61.09 ppm; 3.94 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 100 100 3.9-4.2 1105=100, 2.1/1113=88...(29) HB3 LEU 42 + HA ILE 37 OK 20 97 25 83 4.0-6.0 1093/1089=27, ~10826=22...(8) HG LEU 103 - HA SER 60 far 3 70 5 - 4.8-8.2 HB2 LEU 103 - HA SER 60 far 0 47 0 - 7.3-10.0 HB2 LEU 119 - HA SER 60 far 0 67 0 - 9.6-12.4 HB2 LEU 22 - HA SER 60 far 0 66 0 - 9.6-42.7 HG LEU 49 - HA SER 60 far 0 55 0 - 10.0-13.7 Violated in 10 structures by 0.02 A. Peak 1078 from aliabs.peaks (0.77, 4.02, 61.09 ppm; 3.38 A): 2 out of 12 assignments used, quality = 1.00: * QD1 ILE 37 + HA ILE 37 OK 100 100 100 100 2.1-3.4 1113=100, 1094/1089=67...(32) QG1 VAL 63 + HA SER 60 OK 57 61 100 93 3.5-4.2 2.1/2020=51, 10978=48...(11) QD1 LEU 103 - HA SER 60 far 9 63 15 - 4.0-7.4 QD2 LEU 119 - HA SER 60 far 0 50 0 - 6.6-10.8 QD1 ILE 32 - HA ILE 37 far 0 100 0 - 6.8-10.8 QD2 LEU 122 - HA SER 60 far 0 55 0 - 7.5-10.6 QD2 LEU 43 - HA ILE 37 far 0 73 0 - 7.5-9.9 QD2 LEU 49 - HA SER 60 far 0 36 0 - 7.6-10.4 QD1 LEU 53 - HA SER 60 far 0 43 0 - 8.7-14.1 QG1 VAL 93 - HA ILE 37 far 0 87 0 - 9.5-12.7 QD2 LEU 96 - HA ILE 37 far 0 85 0 - 9.7-12.1 QD1 LEU 96 - HA SER 60 far 0 70 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1081 from aliabs.peaks (4.02, 1.97, 37.79 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 38 - HB ILE 37 far 0 89 0 - 5.5-6.3 HD3 PRO 81 - HB ILE 37 far 0 90 0 - 8.8-11.9 HA GLN 68 - HB ILE 37 far 0 87 0 - 9.4-11.8 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 2 assignments used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HB ILE 37 far 0 68 0 - 8.8-24.4 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 1 assignment used, quality = 1.00: * HG12 ILE 37 + HB ILE 37 OK 100 100 100 100 2.4-2.7 2.9=100 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 2.3-2.5 2.9=100 HB3 LEU 42 - HB ILE 37 far 0 97 0 - 4.5-6.3 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 3.1-3.2 3.2=100 QD2 LEU 43 - HB ILE 37 far 0 73 0 - 7.9-10.8 QD1 ILE 32 - HB ILE 37 far 0 100 0 - 8.8-10.4 QG1 VAL 93 - HB ILE 37 far 0 87 0 - 9.8-11.1 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 2.0-2.2 3.2=75, 1113/1094=47...(35) HB2 SER 38 - QG2 ILE 37 far 0 89 0 - 4.8-6.8 HA GLN 68 - QG2 ILE 37 far 0 87 0 - 6.0-7.9 HD3 PRO 81 - QG2 ILE 37 far 0 90 0 - 8.0-11.0 HA GLU 44 - QG2 ILE 37 far 0 81 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 1090 from aliabs.peaks (1.97, 0.93, 17.29 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1091 from aliabs.peaks (0.93, 0.93, 17.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + QG2 ILE 37 OK 100 100 - 100 Peak 1092 from aliabs.peaks (1.27, 0.93, 17.29 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QG2 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=89, 2.1/1094=73...(27) HB3 LEU 43 - QG2 ILE 37 far 0 95 0 - 8.2-10.8 Violated in 20 structures by 0.09 A. Peak 1093 from aliabs.peaks (1.55, 0.93, 17.29 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.3-2.7 3.2=83, 2.1/1094=70...(26) HB3 LEU 42 + QG2 ILE 37 OK 46 97 70 67 2.9-5.0 3.2/10821=32...(6) 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 9 assignments used, quality = 1.00: * QD1 ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-2.2 1115=93, 2.1/1092=46...(33) QD2 LEU 43 - QG2 ILE 37 far 0 73 0 - 6.2-8.2 QD1 ILE 32 - QG2 ILE 37 far 0 100 0 - 6.3-9.5 QG1 VAL 93 - QG2 ILE 37 far 0 87 0 - 7.1-8.7 QD2 LEU 96 - QG2 ILE 37 far 0 85 0 - 7.9-8.7 QD2 LEU 49 - QG2 ILE 37 far 0 60 0 - 8.5-10.4 QD1 LEU 96 - QG2 ILE 37 far 0 100 0 - 8.6-9.9 HG12 ILE 129 - QG2 ILE 37 far 0 78 0 - 9.6-11.5 QD2 LEU 122 - QG2 ILE 37 far 0 87 0 - 10.0-13.8 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 3.3-3.5 1076=92, 1113/2.1=83...(30) HB2 SER 38 - HG12 ILE 37 far 0 89 0 - 5.4-7.8 HA GLN 68 - HG12 ILE 37 far 0 87 0 - 9.6-11.8 HA VAL 20 - HG12 ILE 37 far 0 57 0 - 9.7-26.8 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 2 assignments used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=100 QG1 VAL 20 - HG12 ILE 37 far 0 68 0 - 7.3-22.8 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 2 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 - 6.6-8.2 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; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 37 + HG13 ILE 37 OK 100 100 100 100 3.9-4.2 4.0=83, 1113/2.1=83...(29) HB2 SER 38 - HG13 ILE 37 far 0 89 0 - 6.5-8.6 HA GLN 68 - HG13 ILE 37 far 0 87 0 - 8.9-11.3 HA VAL 20 - HG13 ILE 37 far 0 57 0 - 9.3-27.2 Violated in 20 structures by 0.33 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 2.3-2.5 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 2 assignments used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.3-2.7 3.2=100 QG1 VAL 20 - HG13 ILE 37 far 0 68 0 - 7.4-23.1 Violated in 0 structures by 0.00 A. Peak 1108 from aliabs.peaks (1.27, 1.55, 27.60 ppm; 2.92 A): 1 out of 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 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 - 7.6-9.3 QG1 VAL 93 - HG13 ILE 37 far 0 87 0 - 9.5-11.5 QD2 LEU 43 - HG13 ILE 37 far 0 73 0 - 9.5-12.3 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 8 assignments used, quality = 1.00: * HA ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-3.4 1078=65, 1089/1094=59...(32) HA GLN 68 - QD1 ILE 32 far 3 60 5 - 3.4-15.8 HA VAL 20 - QD1 ILE 32 far 2 37 5 - 3.4-16.7 HA GLN 68 - QD1 ILE 37 far 0 87 0 - 6.0-7.9 HB2 SER 38 - QD1 ILE 37 far 0 89 0 - 6.2-7.5 HA ILE 37 - QD1 ILE 32 far 0 76 0 - 6.8-10.8 HA VAL 20 - QD1 ILE 37 far 0 57 0 - 8.9-20.8 HB2 SER 38 - QD1 ILE 32 far 0 61 0 - 9.2-13.8 Violated in 1 structures by 0.02 A. Peak 1114 from aliabs.peaks (1.97, 0.77, 12.10 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=94, 2.1/1094=76...(29) HB2 GLN 27 - QD1 ILE 32 poor 19 75 25 - 2.0-8.9 HB ILE 37 - QD1 ILE 32 far 0 76 0 - 8.8-10.4 Violated in 19 structures by 0.03 A. Peak 1115 from aliabs.peaks (0.93, 0.77, 12.10 ppm; 2.70 A): 1 out of 13 assignments used, quality = 1.00: * QG2 ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.8-2.2 1094=100, 1092/2.1=48...(33) QG1 VAL 20 - QD1 ILE 32 far 2 45 5 - 1.9-15.0 QG2 ILE 37 - QD1 ILE 32 far 0 76 0 - 6.3-9.5 QD1 LEU 48 - QD1 ILE 32 far 0 47 0 - 6.5-17.5 QG1 VAL 20 - QD1 ILE 37 far 0 68 0 - 6.9-17.8 QD1 LEU 49 - QD1 ILE 32 far 0 52 0 - 7.5-19.6 QD1 LEU 49 - QD1 ILE 37 far 0 78 0 - 8.6-12.5 QD1 LEU 48 - QD1 ILE 37 far 0 71 0 - 9.1-10.8 QG1 VAL 126 - QD1 ILE 37 far 0 78 0 - 9.6-10.9 QG2 VAL 126 - QD1 ILE 37 far 0 63 0 - 9.6-11.4 QG2 VAL 126 - QD1 ILE 32 far 0 41 0 - 9.7-18.6 QG1 VAL 126 - QD1 ILE 32 far 0 52 0 - 9.7-17.9 QG2 VAL 63 - QD1 ILE 32 far 0 49 0 - 9.7-20.9 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 - 9.9-12.2 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 8 assignments used, quality = 1.00: * HG13 ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 22 - QD1 ILE 32 far 4 71 5 - 3.2-16.7 HB3 LEU 42 - QD1 ILE 37 far 0 97 0 - 5.3-6.8 HG2 ARG 23 - QD1 ILE 32 far 0 72 0 - 6.0-17.9 HG13 ILE 37 - QD1 ILE 32 far 0 76 0 - 7.6-9.3 HB3 LEU 42 - QD1 ILE 32 far 0 71 0 - 8.6-15.0 HB2 LEU 22 - QD1 ILE 37 far 0 97 0 - 9.5-22.0 HG LEU 49 - QD1 ILE 32 far 0 60 0 - 9.8-23.1 Violated in 0 structures by 0.00 A. Peak 1118 from aliabs.peaks (0.77, 0.77, 12.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 37 + QD1 ILE 37 OK 100 100 - 100 QD1 ILE 32 + QD1 ILE 32 OK 76 76 - 100 Peak 1121 from aliabs.peaks (4.54, 4.54, 57.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HA SER 38 OK 100 100 - 100 Peak 1122 from aliabs.peaks (4.00, 4.54, 57.72 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 2.2-3.0 3.0=100 HA ILE 37 + HA SER 38 OK 53 89 65 93 4.4-5.0 3.2/10924=38...(16) Violated in 0 structures by 0.00 A. Peak 1123 from aliabs.peaks (4.21, 4.54, 57.72 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 38 + HA SER 38 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 34 - HA SER 38 far 0 100 0 - 5.6-8.6 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 2.2-3.0 3.0=100 HA TYR 72 - HB2 SER 38 far 0 100 0 - 9.0-10.1 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 - 6.4-10.0 Violated in 0 structures by 0.00 A. Peak 1131 from aliabs.peaks (4.54, 4.21, 64.46 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 38 + HB3 SER 38 OK 100 100 100 100 2.3-2.9 3.0=100 HA TYR 72 - HB3 SER 38 far 0 100 0 - 8.4-9.8 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 - 4.0-5.5 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 2.5-3.0 3.0=100 HB ILE 80 - HA LYS 39 far 0 65 0 - 8.3-10.3 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 5 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 81 - HA LYS 39 far 0 60 0 - 5.8-11.8 HG3 GLN 134 - HA LYS 39 far 0 100 0 - 6.1-9.0 HB2 PRO 81 - HA LYS 39 far 0 89 0 - 6.4-12.8 HB3 GLU 44 - HA LYS 39 far 0 99 0 - 7.1-9.9 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 2.4-3.6 4.0=100 HG3 LYS 39 + HA LYS 39 OK 68 68 100 100 2.1-3.5 4.0=100 QG1 VAL 132 - HA LYS 39 far 0 99 0 - 8.3-9.6 QG2 VAL 132 - HA LYS 39 far 0 100 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1140 from aliabs.peaks (1.16, 3.40, 59.63 ppm; 4.58 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.1-3.5 4.0=100 QB ALA 41 + HA LYS 39 OK 78 92 100 85 4.9-5.3 3.7/6479=48, ~6466=28...(7) HG2 LYS 39 + HA LYS 39 OK 68 68 100 100 2.4-3.6 4.0=100 QG2 VAL 77 - HA LYS 39 far 0 71 0 - 8.9-10.2 QG2 VAL 132 - HA LYS 39 far 0 81 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1141 from aliabs.peaks (1.68, 3.40, 59.63 ppm; 4.91 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-4.9 5.3=80, 1.8/1205=73...(15) HB2 LEU 43 + HA LYS 39 OK 38 71 55 98 4.7-6.5 3.2/9119=63, 3.2/9122=53...(26) HD3 LYS 36 - HA LYS 39 far 0 87 0 - 8.7-11.3 HB2 LEU 69 - HA LYS 39 far 0 60 0 - 9.0-12.3 HD2 LYS 36 - HA LYS 39 far 0 89 0 - 9.5-13.0 HG2 ARG 135 - HA LYS 39 far 0 76 0 - 9.8-13.1 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 3.9-5.0 1205=87, 1204/2.8=59...(12) HB2 LEU 43 + HA LYS 39 OK 63 97 65 99 4.7-6.5 3.2/9119=64, 3.2/9122=54...(27) HB ILE 80 - HA LYS 39 far 0 78 0 - 8.3-10.3 HG2 ARG 135 - HA LYS 39 far 0 96 0 - 9.8-13.1 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 4.0-5.7 5.9=100 HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.5-6.0 5.9=100 HB2 CYS 45 - HA LYS 39 far 0 99 0 - 7.4-9.4 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 4.0-5.7 5.9=100 * HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.5-6.0 5.9=100 HB2 CYS 45 - HA LYS 39 far 0 99 0 - 7.4-9.4 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 3.3-4.4 6494=100, 1338/10870=90...(20) * H GLU 40 + HA LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 131 - HA LYS 39 far 0 92 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 1146 from aliabs.peaks (7.49, 3.40, 59.63 ppm; 6.30 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LYS 39 OK 100 100 100 100 3.2-4.1 6479=100, 1331/10870=88...(13) H GLN 134 + HA LYS 39 OK 25 100 25 100 6.0-8.2 4250/10578=89...(6) 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 2.1-3.6 1.8/1148=85...(9) HG2 LYS 36 - HA LYS 39 far 0 99 0 - 7.6-12.4 Violated in 0 structures by 0.00 A. Peak 1148 from aliabs.peaks (1.54, 3.40, 59.63 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 2.5-4.8 1.8/1147=74...(8) HG13 ILE 37 - HA LYS 39 far 0 97 0 - 8.2-10.1 HG LEU 69 - HA LYS 39 far 0 60 0 - 8.9-11.8 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 2.5-3.0 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 15 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 LYS 31 far 2 42 5 - 2.8-10.8 HB3 GLN 27 - HB2 LYS 26 far 0 52 0 - 5.1-7.3 HG3 PRO 81 - HB2 LYS 39 far 0 60 0 - 5.6-12.3 HB3 GLN 27 - HB2 LYS 19 far 0 46 0 - 5.6-19.3 HG3 PRO 58 - HB2 LYS 24 far 0 48 0 - 5.7-43.4 HB2 GLN 61 - HB2 LYS 24 far 0 43 0 - 5.7-40.0 HG3 GLN 134 - HB2 LYS 39 far 0 100 0 - 6.0-9.5 HB2 PRO 81 - HB2 LYS 39 far 0 89 0 - 6.0-13.2 HB3 GLN 61 - HB2 LYS 24 far 0 38 0 - 7.4-40.9 HB3 GLU 44 - HB2 LYS 39 far 0 99 0 - 8.1-11.1 HB3 GLN 27 - HB2 LYS 24 far 0 48 0 - 8.3-13.3 HB3 GLU 44 - HB2 LYS 24 far 0 56 0 - 8.9-30.8 HB VAL 57 - HB2 LYS 24 far 0 52 0 - 9.2-43.5 HB2 GLN 61 - HB2 LYS 26 far 0 46 0 - 9.5-39.3 Violated in 0 structures by 0.00 A. Peak 1153 from aliabs.peaks (1.14, 1.76, 32.42 ppm; 4.36 A): 3 out of 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 2.3-3.0 2.9=100 HG12 ILE 32 + HB2 LYS 31 OK 25 37 75 90 3.7-5.9 6354/4.6=49...(17) HG12 ILE 32 - HB2 LYS 26 poor 9 46 20 - 3.1-11.7 HG12 ILE 32 - HB2 LYS 24 far 0 43 0 - 5.8-18.0 HG12 ILE 32 - HB2 LYS 19 far 0 41 0 - 6.3-20.2 QG1 VAL 132 - HB2 LYS 39 far 0 99 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 1154 from aliabs.peaks (1.16, 1.76, 32.42 ppm; 4.11 A): 6 out of 17 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 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 44 54 85 96 3.2-6.3 10696/3.9=59...(17) QG2 THR 25 + HB2 LYS 24 OK 44 47 95 99 2.4-5.0 10697/1.8=88...(11) HG12 ILE 32 + HB2 LYS 31 OK 31 49 70 91 3.7-5.9 6354/4.6=51...(16) QG2 THR 25 + HB2 LYS 26 OK 26 50 55 96 3.8-6.4 6248/6250=58, ~11150=27...(22) HG12 ILE 32 - HB2 LYS 26 poor 12 60 20 - 3.1-11.7 QG2 THR 18 - HB2 LYS 31 far 0 50 0 - 5.1-17.5 QG2 THR 18 - HB2 LYS 24 far 0 57 0 - 5.5-13.0 QB ALA 41 - HB2 LYS 39 far 0 92 0 - 5.7-6.7 HG12 ILE 32 - HB2 LYS 24 far 0 55 0 - 5.8-18.0 QG2 THR 25 - HB2 LYS 31 far 0 41 0 - 6.3-13.2 HG12 ILE 32 - HB2 LYS 19 far 0 53 0 - 6.3-20.2 QG2 THR 25 - HB2 LYS 19 far 0 44 0 - 7.1-14.8 QG2 THR 18 - HB2 LYS 26 far 0 61 0 - 9.3-17.0 QB ALA 41 - HB2 LYS 26 far 0 52 0 - 9.4-21.1 QB ALA 41 - HB2 LYS 31 far 0 42 0 - 9.6-15.4 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 36 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HD3 LYS 26 + HB2 LYS 26 OK 49 49 100 100 1.9-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 45 45 100 100 2.0-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 44 44 100 100 3.0-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 35 35 100 100 2.0-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 32 32 100 100 1.9-4.1 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 2.1-3.8 3.9=100 HB2 LEU 43 - HB2 LYS 39 poor 14 71 20 - 5.0-7.5 HD2 LYS 26 - HB2 LYS 31 poor 11 36 30 - 2.4-13.9 HD3 LYS 26 - HB2 LYS 31 poor 10 40 25 - 2.6-13.4 HD2 LYS 26 - HB2 LYS 24 far 4 41 10 - 3.8-12.9 HD3 LYS 26 - HB2 LYS 24 far 2 45 5 - 3.3-12.3 HD3 LYS 31 - HB2 LYS 26 far 2 43 5 - 5.6-14.8 HD2 LYS 31 - HB2 LYS 26 far 2 38 5 - 5.5-14.9 HD3 LYS 31 - HB2 LYS 19 far 2 38 5 - 4.0-20.8 HD2 LYS 31 - HB2 LYS 19 far 2 34 5 - 5.5-20.9 HD2 LYS 19 - HB2 LYS 31 far 0 24 0 - 6.6-17.8 HD3 LYS 24 - HB2 LYS 26 far 0 35 0 - 7.0-11.8 HD2 LYS 31 - HB2 LYS 24 far 0 35 0 - 7.3-20.7 HD3 LYS 31 - HB2 LYS 24 far 0 40 0 - 7.4-20.6 HD2 LYS 36 - HB2 LYS 31 far 0 40 0 - 7.4-12.2 HD2 LYS 24 - HB2 LYS 26 far 0 48 0 - 7.5-12.4 HD2 LYS 36 - HB2 LYS 26 far 0 49 0 - 7.7-19.4 HD2 LYS 24 - HB2 LYS 31 far 0 38 0 - 8.1-20.0 HD2 LYS 24 - HB2 LYS 19 far 0 42 0 - 8.2-17.0 HD2 LYS 36 - HB2 LYS 19 far 0 43 0 - 8.3-24.0 HD3 LYS 36 - HB2 LYS 26 far 0 48 0 - 8.3-21.2 HD3 LYS 26 - HB2 LYS 19 far 0 43 0 - 8.5-20.9 HD2 LYS 26 - HB2 LYS 19 far 0 39 0 - 8.6-21.1 HD3 LYS 24 - HB2 LYS 19 far 0 31 0 - 8.6-16.5 HD3 LYS 36 - HB2 LYS 19 far 0 42 0 - 8.7-25.3 HD2 LYS 19 - HB2 LYS 24 far 0 28 0 - 9.0-16.3 HD3 LYS 36 - HB2 LYS 31 far 0 38 0 - 9.0-13.9 HD3 LYS 24 - HB2 LYS 31 far 0 28 0 - 9.1-20.0 HB2 LEU 70 - HB2 LYS 24 far 0 31 0 - 9.9-34.7 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 5 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HB2 LEU 43 - HB2 LYS 39 poor 19 97 20 - 5.0-7.5 HG LEU 48 - HB2 LYS 24 far 0 58 0 - 7.8-36.4 HB ILE 80 - HB2 LYS 39 far 0 78 0 - 8.5-12.2 HB2 LEU 70 - HB2 LYS 24 far 0 55 0 - 9.9-34.7 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 30 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.3 4.9=100 HE3 LYS 24 + HB2 LYS 24 OK 44 44 100 100 1.9-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 35 35 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 31 31 100 100 3.1-5.4 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.1-4.6 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 29 29 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 23 23 100 100 1.9-4.8 4.8=100 HE2 LYS 26 - HB2 LYS 24 far 3 26 10 - 3.9-12.6 HE3 LYS 24 - HB2 LYS 26 far 2 48 5 - 6.0-13.1 HE2 LYS 26 - HB2 LYS 31 far 2 23 10 - 4.5-15.1 HE3 LYS 24 - HB2 LYS 19 far 2 42 5 - 6.2-16.4 HE3 LYS 31 - HB2 LYS 24 far 2 35 5 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 2 34 5 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 2 34 5 - 5.7-16.4 HE2 LYS 31 - HB2 LYS 26 far 1 29 5 - 6.3-15.1 HE3 LYS 19 - HB2 LYS 31 far 1 27 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 1 27 5 - 5.6-19.1 HE2 LYS 31 - HB2 LYS 24 far 1 26 5 - 5.0-20.1 HE2 LYS 31 - HB2 LYS 19 far 0 25 0 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 26 far 0 38 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 38 0 - 7.5-13.7 HE2 LYS 26 - HB2 LYS 19 far 0 25 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 31 0 - 8.4-16.6 HE2 LYS 24 - HB2 LYS 31 far 0 31 0 - 8.8-21.2 HE3 LYS 24 - HB2 LYS 31 far 0 38 0 - 8.9-21.4 HE3 LYS 19 - HB2 LYS 24 far 0 31 0 - 9.0-17.3 HE2 LYS 19 - HB2 LYS 26 far 0 33 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 99 0 - 9.8-11.7 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 30 assignments used, quality = 1.00: HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.8 4.9=100 * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.3 4.9=100 HE3 LYS 24 + HB2 LYS 24 OK 44 44 100 100 1.9-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 35 35 100 100 2.8-5.4 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 31 31 100 100 3.1-5.4 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.0-4.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.1-4.6 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 29 29 100 100 2.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 23 23 100 100 1.9-4.8 4.8=100 HE2 LYS 26 - HB2 LYS 24 far 3 26 10 - 3.9-12.6 HE3 LYS 24 - HB2 LYS 26 far 2 48 5 - 6.0-13.1 HE2 LYS 26 - HB2 LYS 31 far 2 23 10 - 4.5-15.1 HE3 LYS 24 - HB2 LYS 19 far 2 42 5 - 6.2-16.4 HE3 LYS 31 - HB2 LYS 24 far 2 35 5 - 5.0-19.9 HE3 LYS 31 - HB2 LYS 19 far 2 34 5 - 5.1-22.2 HE2 LYS 24 - HB2 LYS 19 far 2 34 5 - 5.7-16.4 HE2 LYS 31 - HB2 LYS 26 far 1 29 5 - 6.3-15.1 HE3 LYS 19 - HB2 LYS 31 far 1 27 5 - 5.1-19.0 HE2 LYS 19 - HB2 LYS 31 far 1 27 5 - 5.6-19.1 HE2 LYS 31 - HB2 LYS 24 far 1 26 5 - 5.0-20.1 HE2 LYS 31 - HB2 LYS 19 far 0 25 0 - 6.6-21.4 HE3 LYS 31 - HB2 LYS 26 far 0 38 0 - 6.8-14.2 HE2 LYS 24 - HB2 LYS 26 far 0 38 0 - 7.5-13.7 HE2 LYS 26 - HB2 LYS 19 far 0 25 0 - 8.4-21.0 HE2 LYS 19 - HB2 LYS 24 far 0 31 0 - 8.4-16.6 HE2 LYS 24 - HB2 LYS 31 far 0 31 0 - 8.8-21.2 HE3 LYS 24 - HB2 LYS 31 far 0 38 0 - 8.9-21.4 HE3 LYS 19 - HB2 LYS 24 far 0 31 0 - 9.0-17.3 HE2 LYS 19 - HB2 LYS 26 far 0 33 0 - 9.4-19.7 HB2 CYS 45 - HB2 LYS 39 far 0 99 0 - 9.8-11.7 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 2.3-3.0 3.0=100 HA LYS 39 - HB2 PRO 81 far 0 88 0 - 6.4-12.8 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 4 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 - 6.0-13.2 HB ILE 80 - HB2 PRO 81 far 0 52 0 - 6.7-7.1 HB ILE 80 - HB3 LYS 39 far 0 65 0 - 7.8-10.6 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 8 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 68 68 100 100 2.3-3.0 2.9=100 HG2 LYS 39 - HB2 PRO 81 poor 12 88 35 38 3.7-11.6 ~10144=14, 11591/2.3=7...(10) HG3 LYS 39 - HB2 PRO 81 far 3 54 5 - 5.4-13.2 QG1 VAL 132 - HB2 PRO 81 far 0 86 0 - 7.8-10.1 QG1 VAL 132 - HB3 LYS 39 far 0 99 0 - 8.2-10.6 QG2 VAL 132 - HB3 LYS 39 far 0 100 0 - 9.4-11.3 QG2 VAL 132 - HB2 PRO 81 far 0 87 0 - 9.8-12.6 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 9 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 68 68 100 100 2.2-3.0 2.9=100 HG2 LYS 39 - HB2 PRO 81 poor 19 54 35 - 3.7-11.6 HG3 LYS 39 - HB2 PRO 81 far 4 88 5 - 5.4-13.2 QB ALA 41 - HB3 LYS 39 far 0 92 0 - 5.8-7.0 QG2 VAL 77 - HB2 PRO 81 far 0 56 0 - 8.9-9.6 QG2 VAL 77 - HB3 LYS 39 far 0 71 0 - 9.0-11.5 QG2 VAL 132 - HB3 LYS 39 far 0 81 0 - 9.4-11.3 QG2 VAL 132 - HB2 PRO 81 far 0 65 0 - 9.8-12.6 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 7 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HD2 LYS 39 - HB2 PRO 81 far 4 88 5 - 5.6-12.9 HB2 LEU 43 - HB3 LYS 39 far 0 71 0 - 5.8-7.9 HD2 LYS 86 - HB2 PRO 81 far 0 61 0 - 7.1-10.6 HD3 LYS 86 - HB2 PRO 81 far 0 54 0 - 7.9-10.5 HG2 ARG 135 - HB2 PRO 81 far 0 61 0 - 8.0-13.0 HG2 ARG 135 - HB3 LYS 39 far 0 76 0 - 9.7-13.2 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 7 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.8 3.6=100 HD3 LYS 39 - HB2 PRO 81 far 4 88 5 - 3.8-14.3 HB2 LEU 43 - HB3 LYS 39 far 0 97 0 - 5.8-7.9 HB ILE 80 - HB2 PRO 81 far 0 63 0 - 6.7-7.1 HB ILE 80 - HB3 LYS 39 far 0 78 0 - 7.8-10.6 HG2 ARG 135 - HB2 PRO 81 far 0 81 0 - 8.0-13.0 HG2 ARG 135 - HB3 LYS 39 far 0 96 0 - 9.7-13.2 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 8 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-5.3 4.9=100 * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 HE2 LYS 39 - HB2 PRO 81 far 13 88 15 - 5.1-13.5 HE3 LYS 39 - HB2 PRO 81 poor 10 88 30 39 4.0-14.1 ~10239=10, 10239/3.0=7...(12) HE3 LYS 86 - HB2 PRO 81 far 0 54 0 - 6.4-11.9 HD2 ARG 135 - HB2 PRO 81 far 0 88 0 - 7.1-15.2 HD2 ARG 135 - HB3 LYS 39 far 0 100 0 - 9.8-14.4 HB2 CYS 45 - HB3 LYS 39 far 0 99 0 - 9.8-11.9 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 8 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-5.3 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 HE2 LYS 39 - HB2 PRO 81 far 13 88 15 - 5.1-13.5 HE3 LYS 39 - HB2 PRO 81 poor 10 88 30 39 4.0-14.1 ~10239=10, 10239/3.0=7...(12) HE3 LYS 86 - HB2 PRO 81 far 0 54 0 - 6.4-11.9 HD2 ARG 135 - HB2 PRO 81 far 0 88 0 - 7.1-15.2 HD2 ARG 135 - HB3 LYS 39 far 0 100 0 - 9.8-14.4 HB2 CYS 45 - HB3 LYS 39 far 0 99 0 - 9.8-11.9 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 2.4-3.6 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 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 1174 from aliabs.peaks (2.08, 1.14, 24.15 ppm; 4.33 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 134 + HG2 LYS 39 OK 24 100 30 81 4.7-7.5 10600/11806=26...(11) HG3 PRO 81 - HG2 LYS 39 poor 9 60 50 30 3.1-10.2 10144/1.8=9...(9) HB2 PRO 81 - HG2 LYS 39 poor 7 89 25 33 3.7-11.6 ~10144=12, 2.3/11591=7...(9) HB3 GLU 44 - HG2 LYS 39 far 0 99 0 - 7.0-11.8 HB3 GLN 82 - HG2 LYS 39 far 0 97 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 1175 from aliabs.peaks (1.14, 1.14, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 Peak 1176 from aliabs.peaks (1.16, 1.14, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG2 LYS 39 + HG2 LYS 39 OK 68 68 - 100 Reference assignment not found: HG3 LYS 39 - HG2 LYS 39 Peak 1177 from aliabs.peaks (1.68, 1.14, 24.15 ppm; 4.18 A): 1 out of 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 far 7 71 10 - 3.5-7.4 HG2 ARG 135 - HG2 LYS 39 far 0 76 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 1178 from aliabs.peaks (1.71, 1.14, 24.15 ppm; 4.23 A): 1 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 far 10 97 10 - 3.5-7.4 HG2 ARG 135 - HG2 LYS 39 far 0 96 0 - 7.5-10.7 HB ILE 80 - HG2 LYS 39 far 0 78 0 - 7.9-10.9 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: HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.0 4.0=100 * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-3.6 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.7-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 99 0 - 8.9-12.0 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: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.0 4.0=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-3.6 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.7-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 99 0 - 8.9-12.0 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 3.4-5.2 1159/2.9=100...(17) H LEU 43 + HG2 LYS 39 OK 100 100 100 100 3.5-6.4 6494/4.0=82...(13) H ASP 131 - HG2 LYS 39 far 0 92 0 - 8.4-10.4 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 2.1-3.5 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 2.3-3.0 2.9=100 HB ILE 80 - HG3 LYS 39 far 0 65 0 - 8.1-11.0 Violated in 0 structures by 0.00 A. Peak 1185 from aliabs.peaks (2.08, 1.16, 24.15 ppm; 4.73 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 134 + HG3 LYS 39 OK 59 100 60 98 4.2-7.1 10600/11901=62...(12) HG3 PRO 81 - HG3 LYS 39 poor 18 60 30 - 4.2-11.8 HB2 PRO 81 - HG3 LYS 39 far 4 89 5 - 5.4-13.2 HB3 GLU 44 - HG3 LYS 39 far 0 99 0 - 6.9-10.4 HB3 GLN 82 - HG3 LYS 39 far 0 97 0 - 8.9-14.2 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 4 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 52 71 75 99 4.2-5.9 3.2/11901=72...(32) HG2 ARG 135 - HG3 LYS 39 far 0 76 0 - 8.0-11.1 HB2 LEU 69 - HG3 LYS 39 far 0 60 0 - 9.9-14.0 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 2.2-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 87 97 90 99 4.2-5.9 3.2/11901=79...(32) HG2 ARG 135 - HG3 LYS 39 far 0 96 0 - 8.0-11.1 HB ILE 80 - HG3 LYS 39 far 0 78 0 - 8.1-11.0 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 2.0-3.6 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.8 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.4-12.3 HB2 CYS 45 - HG3 LYS 39 far 0 99 0 - 8.5-10.3 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 2.0-3.6 4.0=100 * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.8 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.4-12.3 HB2 CYS 45 - HG3 LYS 39 far 0 99 0 - 8.5-10.3 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 3.1-4.9 1159/2.9=95, 6448/4.7=80...(19) H LEU 43 + HG3 LYS 39 OK 100 100 100 100 3.4-4.9 1338/10873=95...(15) H ASP 131 - HG3 LYS 39 far 0 92 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 1194 from aliabs.peaks (3.40, 1.68, 29.61 ppm; 6.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.7-4.9 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 2.0-4.0 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): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HG3 GLN 134 + HD2 LYS 39 OK 40 100 45 89 3.1-8.1 10602/2.9=23...(18) HG3 PRO 81 - HD2 LYS 39 far 3 60 5 - 5.1-11.6 HB2 PRO 81 - HD2 LYS 39 far 0 89 0 - 5.6-12.9 HB3 GLU 44 - HD2 LYS 39 far 0 99 0 - 7.6-11.5 HB3 GLN 82 - HD2 LYS 39 far 0 97 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 1197 from aliabs.peaks (1.14, 1.68, 29.61 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HD2 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 QG1 VAL 132 - HD2 LYS 39 far 0 99 0 - 8.7-10.3 QG2 VAL 132 - HD2 LYS 39 far 0 100 0 - 9.2-11.3 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 2.2-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 QB ALA 41 - HD2 LYS 39 far 0 92 0 - 6.8-8.1 QG2 VAL 132 - HD2 LYS 39 far 0 81 0 - 9.2-11.3 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 - 4.4-7.5 HG2 ARG 135 - HD2 LYS 39 far 0 96 0 - 7.6-12.6 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 3 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 2.3-3.0 2.9=100 HD2 ARG 135 - HD2 LYS 39 far 0 100 0 - 9.3-12.9 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 3 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 2.3-3.0 2.9=100 HD2 ARG 135 - HD2 LYS 39 far 0 100 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 1205 from aliabs.peaks (3.40, 1.71, 29.61 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.9-5.0 5.3=95, 2.8/1204=65...(13) Violated in 0 structures by 0.00 A. Peak 1206 from aliabs.peaks (1.76, 1.71, 29.61 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HB ILE 80 - HD3 LYS 39 far 0 65 0 - 8.7-13.0 Violated in 0 structures by 0.00 A. Peak 1207 from aliabs.peaks (2.08, 1.71, 29.61 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 GLN 134 + HD3 LYS 39 OK 23 100 25 91 4.4-7.6 4262/11683=30...(16) HG3 PRO 81 - HD3 LYS 39 poor 15 60 25 - 3.8-12.9 HB2 PRO 81 - HD3 LYS 39 far 9 89 10 - 3.8-14.3 HB3 GLU 44 - HD3 LYS 39 far 0 99 0 - 8.0-12.6 HB3 GLN 82 - HD3 LYS 39 far 0 97 0 - 8.4-15.4 Violated in 0 structures by 0.00 A. Peak 1208 from aliabs.peaks (1.14, 1.71, 29.61 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 39 far 0 99 0 - 8.2-10.1 QG2 VAL 132 - HD3 LYS 39 far 0 100 0 - 9.0-11.0 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 4 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 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 - 6.7-8.7 QG2 VAL 132 - HD3 LYS 39 far 0 81 0 - 9.0-11.0 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 - 4.3-7.6 HG2 ARG 135 - HD3 LYS 39 far 0 76 0 - 8.9-12.1 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: * HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 100 0 - 8.7-12.7 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: HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 100 0 - 8.7-12.7 Violated in 0 structures by 0.00 A. Peak 1216 from aliabs.peaks (3.40, 2.93, 41.80 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.97: * HA LYS 39 + HE2 LYS 39 OK 94 100 95 99 4.0-5.7 1205/2.9=54...(15) HA LYS 39 + HE3 LYS 39 OK 49 100 50 98 4.5-6.0 1205/2.9=54, 5.9=46...(14) HB3 HIS 67 - HE3 LYS 24 far 0 61 0 - 9.7-35.0 Violated in 7 structures by 0.02 A. Peak 1217 from aliabs.peaks (1.76, 2.93, 41.80 ppm; 6.80 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-4.8 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.6-5.3 4.9=100 HB2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 1.9-5.1 5.1=100 HB2 ARG 23 - HE3 LYS 24 poor 18 61 30 - 4.4-10.1 HB2 LYS 19 - HE3 LYS 24 far 5 49 10 - 6.2-16.4 HB2 LYS 26 - HE3 LYS 24 far 3 52 5 - 6.0-13.1 HB ILE 80 - HE2 LYS 39 far 0 65 0 - 8.3-12.2 HB ILE 80 - HE3 LYS 39 far 0 65 0 - 8.9-13.0 HB2 LYS 31 - HE3 LYS 24 far 0 49 0 - 8.9-21.4 Violated in 0 structures by 0.00 A. Peak 1218 from aliabs.peaks (2.08, 2.93, 41.80 ppm; 6.80 A): 8 out of 16 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-5.3 4.9=100 * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 HG3 GLN 134 + HE2 LYS 39 OK 100 100 100 100 2.2-6.4 10602=51, 10601/10577=50...(16) HG3 GLN 134 + HE3 LYS 39 OK 100 100 100 100 2.2-7.2 10602/1.8=52, 10602=48...(16) HG3 PRO 81 + HE3 LYS 39 OK 27 60 70 65 2.8-12.3 10144/4.0=24, ~10239=17...(8) HG3 PRO 81 + HE2 LYS 39 OK 27 60 65 69 3.4-11.7 10144/4.0=24...(9) HB2 PRO 81 + HE3 LYS 39 OK 24 89 60 45 4.0-14.1 ~10239=16, 3.0/10239=11...(6) HB2 PRO 81 + HE2 LYS 39 OK 21 89 55 43 5.1-13.5 3.0/10239=20...(5) HB3 GLN 82 - HE3 LYS 39 far 14 97 15 - 7.0-14.4 HB3 GLU 44 - HE2 LYS 39 far 10 99 10 - 6.1-12.1 HB3 GLU 44 - HE3 LYS 39 far 10 99 10 - 6.3-12.6 HB3 GLU 44 - HE3 LYS 24 far 3 64 5 - 7.5-33.6 HB3 GLN 82 - HE2 LYS 39 far 0 97 0 - 7.8-13.7 HG3 PRO 58 - HE3 LYS 24 far 0 55 0 - 8.3-44.5 HB3 GLN 27 - HE3 LYS 24 far 0 55 0 - 8.3-15.4 HB2 GLN 61 - HE3 LYS 24 far 0 49 0 - 9.4-41.7 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 9 assignments used, quality = 1.00: HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.0 4.0=100 * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-3.6 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.0-3.6 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.6-3.8 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 10 99 10 - 7.3-10.1 QG1 VAL 132 - HE3 LYS 39 far 5 99 5 - 7.3-10.9 HG12 ILE 32 - HE3 LYS 24 far 2 49 5 - 6.9-22.7 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 8.3-11.5 Violated in 0 structures by 0.00 A. Peak 1220 from aliabs.peaks (1.16, 2.93, 41.80 ppm; 5.49 A): 5 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-3.6 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.6-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.0-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.1-3.6 4.0=100 QG2 THR 25 + HE3 LYS 24 OK 28 53 60 87 2.5-7.4 10697/5.1=70...(17) QG2 THR 18 - HE3 LYS 24 far 6 65 10 - 4.2-13.6 QB ALA 41 - HE2 LYS 39 far 5 92 5 - 6.2-9.3 QB ALA 41 - HE3 LYS 39 far 5 92 5 - 6.3-9.4 HG12 ILE 32 - HE3 LYS 24 far 0 63 0 - 6.9-22.7 QG2 VAL 132 - HE2 LYS 39 far 0 81 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 81 0 - 8.3-11.5 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.4-12.8 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 13 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 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 67 71 95 100 3.2-8.2 3.2/9123=51, 3.2/9120=49...(18) HB2 LEU 43 + HE3 LYS 39 OK 67 71 95 100 4.4-7.8 3.2/9120=46, ~9120=46...(18) HD2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.2-3.0 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 19 76 25 - 6.0-11.7 HG2 ARG 135 - HE3 LYS 39 poor 15 76 20 - 7.4-12.8 HD3 LYS 26 - HE3 LYS 24 far 3 52 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 2 47 5 - 4.8-14.1 HD3 LYS 31 - HE3 LYS 24 far 2 46 5 - 6.1-24.9 HD2 LYS 31 - HE3 LYS 24 far 2 41 5 - 6.2-24.8 HD2 LYS 19 - HE3 LYS 24 far 0 32 0 - 8.2-18.5 Violated in 0 structures by 0.00 A. Peak 1222 from aliabs.peaks (1.71, 2.93, 41.80 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 92 97 95 100 3.2-8.2 3.2/9123=51, 3.2/9120=49...(17) HB2 LEU 43 + HE3 LYS 39 OK 92 97 95 100 4.4-7.8 3.2/9120=46, ~9120=46...(17) HG2 ARG 135 - HE3 LYS 39 poor 19 96 20 - 7.4-12.8 HG2 ARG 135 - HE2 LYS 39 lone 2 96 25 8 6.0-11.7 10594/10603=5, 11779/11738=1 HB ILE 80 - HE2 LYS 39 far 0 78 0 - 8.3-12.2 HG LEU 48 - HE3 LYS 24 far 0 65 0 - 8.3-35.8 HB ILE 80 - HE3 LYS 39 far 0 78 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 1223 from aliabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 Peak 1224 from aliabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1227 from aliabs.peaks (3.40, 2.93, 41.80 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.97: HA LYS 39 + HE2 LYS 39 OK 94 100 95 99 4.0-5.7 1205/2.9=54...(15) * HA LYS 39 + HE3 LYS 39 OK 49 100 50 98 4.5-6.0 1205/2.9=54, 5.9=46...(14) HB3 HIS 67 - HE3 LYS 24 far 0 61 0 - 9.7-35.0 Violated in 7 structures by 0.02 A. Peak 1228 from aliabs.peaks (1.76, 2.93, 41.80 ppm; 6.80 A): 3 out of 9 assignments used, quality = 1.00: HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-4.8 4.9=100 * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.6-5.3 4.9=100 HB2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 1.9-5.1 5.1=100 HB2 ARG 23 - HE3 LYS 24 poor 18 61 30 - 4.4-10.1 HB2 LYS 19 - HE3 LYS 24 far 5 49 10 - 6.2-16.4 HB2 LYS 26 - HE3 LYS 24 far 3 52 5 - 6.0-13.1 HB ILE 80 - HE2 LYS 39 far 0 65 0 - 8.3-12.2 HB ILE 80 - HE3 LYS 39 far 0 65 0 - 8.9-13.0 HB2 LYS 31 - HE3 LYS 24 far 0 49 0 - 8.9-21.4 Violated in 0 structures by 0.00 A. Peak 1229 from aliabs.peaks (2.08, 2.93, 41.80 ppm; 6.80 A): 8 out of 16 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-5.3 4.9=100 HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 HG3 GLN 134 + HE2 LYS 39 OK 100 100 100 100 2.2-6.4 10602=51, 10601/10577=50...(16) HG3 GLN 134 + HE3 LYS 39 OK 100 100 100 100 2.2-7.2 10602/1.8=52, 10602=48...(16) HG3 PRO 81 + HE3 LYS 39 OK 27 60 70 65 2.8-12.3 10144/4.0=24, ~10239=17...(8) HG3 PRO 81 + HE2 LYS 39 OK 27 60 65 69 3.4-11.7 10144/4.0=24...(9) HB2 PRO 81 + HE3 LYS 39 OK 24 89 60 45 4.0-14.1 ~10239=16, 3.0/10239=11...(6) HB2 PRO 81 + HE2 LYS 39 OK 21 89 55 43 5.1-13.5 3.0/10239=20...(5) HB3 GLN 82 - HE3 LYS 39 far 14 97 15 - 7.0-14.4 HB3 GLU 44 - HE2 LYS 39 far 10 99 10 - 6.1-12.1 HB3 GLU 44 - HE3 LYS 39 far 10 99 10 - 6.3-12.6 HB3 GLU 44 - HE3 LYS 24 far 3 64 5 - 7.5-33.6 HB3 GLN 82 - HE2 LYS 39 far 0 97 0 - 7.8-13.7 HG3 PRO 58 - HE3 LYS 24 far 0 55 0 - 8.3-44.5 HB3 GLN 27 - HE3 LYS 24 far 0 55 0 - 8.3-15.4 HB2 GLN 61 - HE3 LYS 24 far 0 49 0 - 9.4-41.7 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 9 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-3.6 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.0-3.6 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.6-3.8 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 10 99 10 - 7.3-10.1 QG1 VAL 132 - HE3 LYS 39 far 5 99 5 - 7.3-10.9 HG12 ILE 32 - HE3 LYS 24 far 2 49 5 - 6.9-22.7 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 8.3-11.5 Violated in 0 structures by 0.00 A. Peak 1231 from aliabs.peaks (1.16, 2.93, 41.80 ppm; 5.49 A): 5 out of 12 assignments used, quality = 1.00: HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-3.6 4.0=100 * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.6-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.0-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.1-3.6 4.0=100 QG2 THR 25 + HE3 LYS 24 OK 28 53 60 87 2.5-7.4 10697/5.1=70...(17) QG2 THR 18 - HE3 LYS 24 far 6 65 10 - 4.2-13.6 QB ALA 41 - HE2 LYS 39 far 5 92 5 - 6.2-9.3 QB ALA 41 - HE3 LYS 39 far 5 92 5 - 6.3-9.4 HG12 ILE 32 - HE3 LYS 24 far 0 63 0 - 6.9-22.7 QG2 VAL 132 - HE2 LYS 39 far 0 81 0 - 7.6-11.2 QG2 VAL 132 - HE3 LYS 39 far 0 81 0 - 8.3-11.5 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.4-12.8 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 13 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 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 67 71 95 100 3.2-8.2 3.2/9123=51, 3.2/9120=49...(18) HB2 LEU 43 + HE3 LYS 39 OK 67 71 95 100 4.4-7.8 3.2/9120=46, ~9120=46...(18) HD2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.2-3.0 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 19 76 25 - 6.0-11.7 HG2 ARG 135 - HE3 LYS 39 poor 15 76 20 - 7.4-12.8 HD3 LYS 26 - HE3 LYS 24 far 3 52 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 2 47 5 - 4.8-14.1 HD3 LYS 31 - HE3 LYS 24 far 2 46 5 - 6.1-24.9 HD2 LYS 31 - HE3 LYS 24 far 2 41 5 - 6.2-24.8 HD2 LYS 19 - HE3 LYS 24 far 0 32 0 - 8.2-18.5 Violated in 0 structures by 0.00 A. Peak 1233 from aliabs.peaks (1.71, 2.93, 41.80 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 92 97 95 100 3.2-8.2 3.2/9123=51, 3.2/9120=49...(17) HB2 LEU 43 + HE3 LYS 39 OK 92 97 95 100 4.4-7.8 3.2/9120=46, ~9120=46...(17) HG2 ARG 135 - HE3 LYS 39 poor 19 96 20 - 7.4-12.8 HG2 ARG 135 - HE2 LYS 39 lone 2 96 25 8 6.0-11.7 10594/10603=5, 11779/11738=1 HB ILE 80 - HE2 LYS 39 far 0 78 0 - 8.3-12.2 HG LEU 48 - HE3 LYS 24 far 0 65 0 - 8.3-35.8 HB ILE 80 - HE3 LYS 39 far 0 78 0 - 8.9-13.0 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 2.7-2.8 2.8=100 H LEU 43 + HA GLU 40 OK 100 100 100 100 3.4-4.4 6509/9055=75...(16) Violated in 0 structures by 0.00 A. Peak 1238 from aliabs.peaks (3.83, 3.83, 59.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 40 + HA GLU 40 OK 100 100 - 100 Peak 1239 from aliabs.peaks (1.90, 3.83, 59.43 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LYS 36 - HA GLU 40 far 0 92 0 - 8.7-13.5 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 2.3-3.0 3.0=100 HB2 GLU 44 - HA GLU 40 far 0 100 0 - 4.6-6.7 HB2 GLN 134 - HA GLU 40 far 0 100 0 - 7.4-10.3 HG3 PRO 81 - HA GLU 40 far 0 63 0 - 8.8-16.0 HB2 PRO 81 - HA GLU 40 far 0 49 0 - 9.6-17.0 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 2.4-3.8 3.9=100 HG2 GLU 44 + HA GLU 40 OK 48 68 95 74 3.5-5.6 4.8/6514=35, 9065/4.9=24...(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 2.6-3.7 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 2.7-2.8 2.8=100 * H LEU 43 + HA GLU 40 OK 100 100 100 100 3.4-4.4 6509/9055=75...(16) Violated in 0 structures by 0.00 A. Peak 1245 from aliabs.peaks (1.70, 3.83, 59.43 ppm; 4.21 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + HA GLU 40 OK 99 100 100 99 2.4-4.5 3.2/9055=61, 3.2/9055=54...(15) HD3 LYS 39 + HA GLU 40 OK 55 97 60 93 3.3-6.7 1205/4.9=30, ~1203=30...(17) HD2 LYS 39 + HA GLU 40 OK 44 71 70 89 3.2-6.1 1203/2.8=25, 3.0/9056=25...(18) 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 2 assignments used, quality = 1.00: * HB3 LEU 43 + HA GLU 40 OK 100 100 100 100 2.4-6.1 3.2/9055=100...(15) HG12 ILE 37 - HA GLU 40 far 0 95 0 - 9.7-12.0 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 2.3-2.6 3.0=100 HB2 SER 130 - HB2 GLU 40 far 0 97 0 - 9.1-11.2 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 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 0 100 0 - 4.6-7.9 HB2 GLN 134 - HB2 GLU 40 far 0 100 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 1251 from aliabs.peaks (2.29, 1.90, 28.21 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 44 + HB2 GLU 40 OK 24 68 80 45 2.7-7.0 1241/3.0=19, 1419/1.8=14...(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 2.2-3.0 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): 2 out of 7 assignments used, quality = 1.00: * H GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.6 4.0=100 H LEU 43 + HB2 GLU 44 OK 28 99 30 93 4.5-6.3 3.9/6526=62...(9) H LEU 43 - HB3 GLU 40 far 0 100 0 - 5.6-6.0 H GLU 40 - HB2 GLU 44 far 0 99 0 - 6.3-8.4 H LEU 49 - HB2 GLU 44 far 0 91 0 - 7.3-8.9 H LEU 69 - HB2 GLU 44 far 0 94 0 - 8.9-10.8 H LEU 96 - HG2 ARG 90 far 0 77 0 - 9.5-10.8 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 7 assignments used, quality = 1.00: * HB2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 + HG2 ARG 90 OK 74 74 100 100 2.2-3.0 2.9=100 HB2 GLU 40 - HB2 GLU 44 far 0 99 0 - 4.6-7.9 HB3 LEU 48 - HB2 GLU 44 far 0 98 0 - 5.2-8.2 HB3 LYS 36 - HB3 GLU 40 far 0 92 0 - 6.3-13.2 HB3 LYS 36 - HB2 GLU 44 far 0 88 0 - 8.3-13.5 HB3 LEU 49 - HB2 GLU 44 far 0 87 0 - 8.9-12.3 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): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 44 + HB2 GLU 44 OK 65 65 100 100 2.2-2.9 3.0=100 HG2 GLU 44 + HB3 GLU 40 OK 30 68 75 58 3.4-7.4 1241/3.0=15, 1419=14...(7) HG2 GLU 40 - HB2 GLU 44 far 0 99 0 - 4.9-8.7 HG3 GLN 68 - HB2 GLU 44 far 0 57 0 - 7.2-9.3 HB VAL 132 - HG2 ARG 90 far 0 80 0 - 7.4-8.7 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 2.2-3.0 3.0=100 HG3 GLU 40 - HB2 GLU 44 far 0 99 0 - 5.3-8.7 HG3 GLU 97 - HG2 ARG 90 far 0 82 0 - 8.6-10.9 HG3 GLU 128 - HG2 ARG 90 far 0 46 0 - 9.2-12.8 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 8 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 5.8-6.6 6496/1267=57...(7) H GLU 30 + HG3 GLU 30 OK 47 47 100 100 1.9-3.5 5.1=100 H GLU 30 + HG2 GLU 30 OK 47 47 100 100 2.8-3.8 5.1=100 H ALA 21 - HG2 GLU 30 far 0 39 0 - 7.5-20.5 H ARG 23 - HG2 GLU 30 far 0 37 0 - 8.1-19.9 H ARG 23 - HG3 GLU 30 far 0 37 0 - 8.5-19.4 H ALA 21 - HG3 GLU 30 far 0 39 0 - 8.7-20.3 Violated in 0 structures by 0.00 A. Peak 1262 from aliabs.peaks (3.83, 2.29, 35.43 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.4-3.8 3.9=84, 1269/1.8=75...(15) HB2 SER 130 - HG2 GLU 40 far 0 97 0 - 9.2-12.1 HD2 PRO 81 - HG2 GLU 40 far 0 78 0 - 9.5-15.0 HB3 SER 33 - HG3 GLU 30 far 0 63 0 - 9.6-14.1 Violated in 5 structures by 0.03 A. Peak 1263 from aliabs.peaks (1.90, 2.29, 35.43 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 36 - HG2 GLU 40 far 0 92 0 - 7.1-12.7 HB3 LYS 36 - HG2 GLU 30 far 0 54 0 - 9.3-15.7 HB3 LYS 36 - HG3 GLU 30 far 0 54 0 - 9.7-14.9 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 10 assignments used, quality = 1.00: * HB3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.3-3.0 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 2.9-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 0 100 0 - 4.9-8.7 HB VAL 20 - HG2 GLU 30 far 0 45 0 - 7.4-22.6 HB2 GLN 134 - HG2 GLU 40 far 0 100 0 - 8.2-13.5 HB VAL 20 - HG3 GLU 30 far 0 45 0 - 8.4-21.2 HG3 PRO 81 - HG2 GLU 40 far 0 63 0 - 9.2-16.8 HB2 PRO 81 - HG2 GLU 40 far 0 49 0 - 9.3-17.2 HG2 PRO 81 - HG2 GLU 40 far 0 92 0 - 9.8-15.9 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): 3 out of 6 assignments used, quality = 1.00: * H GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.9-4.2 4.8=100 H LEU 96 + HG3 GLU 97 OK 64 75 85 99 3.7-6.6 7330/7348=71...(16) H SER 99 + HG3 GLU 97 OK 21 82 30 86 4.5-7.3 7375/3146=43, ~10027=33...(9) H LEU 43 - HG3 GLU 40 far 0 100 0 - 5.9-7.0 H LEU 69 - HG3 GLU 97 far 0 77 0 - 6.8-11.9 H VAL 126 - HG3 GLU 97 far 0 80 0 - 8.1-11.0 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 2 assignments used, quality = 1.00: * HA GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.6-3.7 3.9=78, 1262/1.8=70...(13) HB2 SER 130 - HG3 GLU 40 far 0 97 0 - 9.1-12.2 Violated in 7 structures by 0.03 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 2.2-3.0 3.0=100 HB3 LYS 36 - HG3 GLU 40 far 0 92 0 - 5.6-14.0 HB2 ARG 90 - HG3 GLU 97 far 0 73 0 - 7.7-10.4 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 9 assignments used, quality = 1.00: * HB3 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 44 - HG3 GLU 40 far 0 100 0 - 5.3-8.7 QE MET 11 - HG3 GLU 97 far 0 81 0 - 7.7-44.1 HB2 GLN 134 - HG3 GLU 40 far 0 100 0 - 7.8-13.4 HG2 ARG 90 - HG3 GLU 97 far 0 83 0 - 8.6-10.9 HB ILE 129 - HG3 GLU 97 far 0 64 0 - 9.0-11.8 HG3 PRO 81 - HG3 GLU 40 far 0 63 0 - 9.6-15.5 HB2 PRO 81 - HG3 GLU 40 far 0 49 0 - 9.9-15.8 HB3 GLU 91 - HG3 GLU 97 far 0 77 0 - 9.9-13.0 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 4 assignments used, quality = 1.00: * HG2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HG3 GLU 40 far 0 68 0 - 4.6-7.1 HB3 GLN 101 - HG3 GLU 97 far 0 77 0 - 4.8-8.6 HG3 GLN 68 - HG3 GLU 97 far 0 43 0 - 9.5-14.8 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 4 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 - 6.9-8.4 QG2 THR 25 - HA ALA 41 far 0 100 0 - 7.1-24.6 HG12 ILE 32 - HA ALA 41 far 0 78 0 - 9.1-18.8 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 3.3-4.1 6515=100, 6527/1409=98...(12) H TYR 72 - HA ALA 41 far 0 97 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 1280 from aliabs.peaks (2.02, 3.91, 54.50 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 44 + HA ALA 41 OK 100 100 100 100 2.3-4.5 1.8/1409=85...(17) HB3 GLU 40 + HA ALA 41 OK 90 100 90 100 3.9-5.6 6471/2.9=65...(25) 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 2.0-4.7 1409=100, 6527/6515=55...(20) HB3 LYS 39 - HA ALA 41 far 0 99 0 - 7.4-8.5 Violated in 3 structures by 0.07 A. Peak 1282 from aliabs.peaks (7.89, 1.18, 17.90 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 41 + QB ALA 41 OK 100 100 100 100 2.0-2.2 3.0=100 H GLN 68 - QB ALA 41 far 0 63 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 1283 from aliabs.peaks (3.91, 1.18, 17.90 ppm; 2.84 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 41 + QB ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 33 - QB ALA 41 far 0 99 0 - 7.0-9.9 HA3 GLY 75 - QB ALA 41 far 0 81 0 - 7.6-10.3 HA ALA 46 - QB ALA 41 far 0 78 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 1284 from aliabs.peaks (1.18, 1.18, 17.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 41 + QB ALA 41 OK 100 100 - 100 Peak 1285 from aliabs.peaks (7.49, 1.18, 17.90 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + QB ALA 41 OK 100 100 100 100 2.4-2.9 3.7=100 H GLN 134 - QB ALA 41 far 0 100 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1286 from aliabs.peaks (7.49, 3.47, 59.85 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.7-2.9 2.8=100 H GLN 134 - HA LEU 42 far 0 100 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1287 from aliabs.peaks (3.47, 3.47, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1288 from aliabs.peaks (1.37, 3.47, 59.85 ppm; 4.30 A): 1 out of 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 - 5.8-11.0 QB ALA 29 - HA LEU 42 far 0 100 0 - 9.3-18.0 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 4 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-2.6 3.0=100 HG LEU 69 - HA LEU 42 poor 12 60 20 - 4.3-7.1 HG13 ILE 37 - HA LEU 42 far 0 97 0 - 7.4-8.8 HG LEU 49 - HA LEU 42 far 0 63 0 - 8.3-11.3 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 2.5-2.8 3.7=100 HG LEU 69 - HA LEU 42 far 3 60 5 - 4.3-7.1 HG3 LYS 36 - HA LEU 42 far 0 63 0 - 6.9-10.5 HB2 LEU 49 - HA LEU 42 far 0 97 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 1291 from aliabs.peaks (0.63, 3.47, 59.85 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 100 100 2.3-3.4 4.1=100 QD1 ILE 129 - HA LEU 42 far 0 89 0 - 7.9-9.1 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 3.6-3.9 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 5 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 69 - HA LEU 42 far 0 97 0 - 6.3-7.6 H GLU 40 - HA LEU 42 far 0 100 0 - 6.7-7.1 H LEU 49 - HA LEU 42 far 0 95 0 - 8.6-9.8 H ASP 131 - HA LEU 42 far 0 92 0 - 9.6-10.9 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 6 assignments used, quality = 1.00: * HB2 CYS 45 + HA LEU 42 OK 100 100 100 100 2.7-4.1 1439=82, 1.8/1445=75...(10) HE2 LYS 36 - HA LEU 42 far 7 71 10 - 4.3-10.2 HE3 LYS 36 - HA LEU 42 far 4 71 5 - 4.7-10.1 HE2 LYS 39 - HA LEU 42 far 0 99 0 - 7.1-10.7 HE3 LYS 39 - HA LEU 42 far 0 99 0 - 8.1-11.2 HE3 LYS 26 - HA LEU 42 far 0 65 0 - 9.4-32.0 Violated in 0 structures by 0.00 A. Peak 1296 from aliabs.peaks (3.12, 3.47, 59.85 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * HB3 CYS 45 + HA LEU 42 OK 100 100 100 100 3.7-5.5 1445=99, 1.8/1295=83...(7) HB3 TYR 76 + HA LEU 42 OK 26 90 30 96 5.4-7.1 9092/1324=62...(5) Violated in 1 structures by 0.00 A. Peak 1297 from aliabs.peaks (3.40, 1.37, 42.33 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LEU 42 OK 100 100 100 100 2.1-3.6 1147=100, 1148/1.8=100...(10) 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 ILE 129 - HB2 LEU 42 far 0 92 0 - 7.8-8.8 HA VAL 77 - HB2 LEU 42 far 0 85 0 - 7.9-9.2 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 HG LEU 69 - HB2 LEU 42 far 0 60 0 - 6.0-8.8 HG13 ILE 37 - HB2 LEU 42 far 0 97 0 - 7.7-9.7 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 2.6-2.9 3.0=100 HG LEU 69 - HB2 LEU 42 far 0 60 0 - 6.0-8.8 HG3 LYS 36 - HB2 LEU 42 far 0 63 0 - 8.7-12.2 Violated in 0 structures by 0.00 A. Peak 1303 from aliabs.peaks (0.63, 1.37, 42.33 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.8-3.2 3.2=100 QD1 ILE 129 - HB2 LEU 42 far 0 89 0 - 7.8-8.6 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 1.9-2.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1306 from aliabs.peaks (3.40, 1.54, 42.33 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 LEU 42 OK 100 100 100 100 2.5-4.8 1148=100, 1147/1.8=91...(8) 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 2.3-2.6 4.0=100 H GLN 134 - HB3 LEU 42 far 0 100 0 - 8.4-10.3 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 2.4-2.6 3.0=100 HA VAL 77 - HB3 LEU 42 far 0 85 0 - 7.5-8.9 HA ILE 129 - HB3 LEU 42 far 0 92 0 - 8.7-9.7 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 13 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 62 76 85 96 2.0-7.8 10703/3.1=40...(37) QB ALA 21 + HB2 LEU 22 OK 41 43 100 95 4.4-5.2 3.7/6188=88...(6) QB ALA 28 - HB2 LEU 22 far 7 70 10 - 4.3-15.2 HG3 LYS 31 - HB2 LEU 22 far 7 69 10 - 4.0-23.1 HG2 LYS 36 - HB3 LEU 42 far 5 99 5 - 6.1-11.0 QB ALA 29 - HB2 LEU 22 far 4 75 5 - 6.1-16.2 QB ALA 16 - HB2 LEU 22 far 3 60 5 - 5.4-12.8 HG3 LYS 26 - HB2 LEU 22 far 0 73 0 - 6.7-12.9 HG2 LYS 19 - HB2 LEU 22 far 0 76 0 - 7.9-10.0 QB ALA 12 - HB2 LEU 22 far 0 66 0 - 8.7-21.4 QB ALA 15 - HB2 LEU 22 far 0 73 0 - 9.1-15.7 QB ALA 110 - HB2 LEU 22 far 0 72 0 - 10.0-42.6 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 2.7-3.0 3.0=100 HG LEU 69 - HB3 LEU 42 far 0 60 0 - 5.7-9.0 HG3 LYS 36 - HB3 LEU 42 far 0 63 0 - 7.1-10.9 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 1.9-2.3 3.2=100 QD1 ILE 129 - HB3 LEU 42 far 0 89 0 - 7.9-9.0 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 2.6-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1314 from aliabs.peaks (8.29, 1.54, 42.33 ppm; 4.85 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 100 100 3.5-3.8 4.6=100 H ARG 23 + HB2 LEU 22 OK 45 45 100 100 3.8-4.4 4.6=100 H ALA 21 + HB2 LEU 22 OK 29 47 80 78 4.7-5.9 4.6/6188=66, ~11967=16...(5) H GLU 40 + HB3 LEU 42 OK 21 100 25 82 5.2-6.6 3.6/1148=61, 6491/4.0=29...(6) H GLU 30 - HB2 LEU 22 far 0 56 0 - 6.8-18.3 H LEU 69 - HB3 LEU 42 far 0 97 0 - 7.9-9.6 H ASP 131 - HB3 LEU 42 far 0 92 0 - 9.5-10.8 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 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 1316 from aliabs.peaks (3.47, 1.49, 28.46 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 100 100 2.5-2.8 3.7=100 HA ILE 129 - HG LEU 42 far 0 92 0 - 6.5-8.0 HA VAL 77 - HG LEU 42 far 0 85 0 - 8.0-9.5 HA VAL 132 - HG LEU 42 far 0 60 0 - 10.0-11.6 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 4 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.6-2.9 3.0=100 HG2 LYS 36 - HG LEU 42 far 0 99 0 - 8.2-13.4 HG LEU 96 - HG LEU 42 far 0 73 0 - 9.2-10.0 HB2 LEU 96 - HG LEU 42 far 0 99 0 - 9.6-10.6 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 2.7-3.0 3.0=100 HG LEU 69 + HG LEU 42 OK 45 60 75 100 3.2-6.3 2.1/9078=81, ~11039=69...(17) HG LEU 49 - HG LEU 42 far 0 63 0 - 8.0-10.6 HG13 ILE 37 - HG LEU 42 far 0 97 0 - 8.5-10.1 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 - 5.9-6.9 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 3.7-4.3 6502=100, 1338/2.1=98...(18) H LEU 69 - HG LEU 42 far 5 97 5 - 6.1-8.4 H ASP 131 - HG LEU 42 far 0 92 0 - 7.4-9.3 H GLU 40 - HG LEU 42 far 0 100 0 - 7.5-8.3 H LEU 49 - HG LEU 42 far 0 95 0 - 9.0-10.3 H VAL 126 - HG LEU 42 far 0 99 0 - 9.6-10.5 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 3.7-4.2 6489=96, 1331/2.1=77...(11) H GLN 134 - QD1 LEU 42 far 0 100 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 1324 from aliabs.peaks (3.47, 0.63, 27.44 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.3-3.4 4.1=86, 1332/2.1=77...(19) HA VAL 77 - QD1 LEU 42 far 0 85 0 - 4.9-6.5 HA ILE 129 - QD1 LEU 42 far 0 92 0 - 5.5-7.0 HA VAL 132 - QD1 LEU 42 far 0 60 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 1325 from aliabs.peaks (1.37, 0.63, 27.44 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.8-3.2 3.2=100 HG2 LYS 36 - QD1 LEU 42 far 0 99 0 - 5.9-10.0 HG LEU 96 - QD1 LEU 42 far 0 73 0 - 7.4-8.5 HB2 LEU 96 - QD1 LEU 42 far 0 99 0 - 7.9-9.5 QB ALA 29 - QD1 LEU 42 far 0 100 0 - 8.9-14.6 HB3 LEU 100 - QD1 LEU 42 far 0 100 0 - 9.7-12.3 QB ALA 16 - QD1 LEU 42 far 0 87 0 - 9.7-27.1 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 1.9-2.3 3.2=100 HG LEU 69 - QD1 LEU 42 poor 18 60 30 - 2.8-6.5 HG13 ILE 37 - QD1 LEU 42 far 0 97 0 - 5.2-6.6 HG LEU 49 - QD1 LEU 42 far 0 63 0 - 8.5-10.4 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 poor 15 60 25 - 2.8-6.5 HG3 LYS 36 - QD1 LEU 42 far 0 63 0 - 6.0-9.8 HB2 LEU 49 - QD1 LEU 42 far 0 97 0 - 8.0-10.9 HG3 LYS 86 - QD1 LEU 42 far 0 97 0 - 8.5-10.1 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 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1330 from aliabs.peaks (8.29, 0.63, 27.44 ppm; 4.65 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 42 OK 100 100 100 100 4.6-4.9 6503=99, 1338/2.1=91...(17) H LEU 69 - QD1 LEU 42 far 5 97 5 - 5.5-7.0 H GLU 40 - QD1 LEU 42 far 0 100 0 - 6.4-7.6 H ASP 131 - QD1 LEU 42 far 0 92 0 - 7.4-8.5 H LEU 49 - QD1 LEU 42 far 0 95 0 - 8.5-10.0 H VAL 126 - QD1 LEU 42 far 0 99 0 - 8.9-10.0 H LEU 96 - QD1 LEU 42 far 0 96 0 - 9.1-9.9 Violated in 11 structures by 0.03 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 4.0-4.3 6490=78, 2.8/1332=75...(11) H GLN 134 - QD2 LEU 42 far 5 100 5 - 5.0-6.4 Violated in 7 structures by 0.01 A. Peak 1332 from aliabs.peaks (3.47, 0.56, 24.08 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.6-3.9 3.9=77, 1324/2.1=61...(16) HA ILE 129 - QD2 LEU 42 far 9 92 10 - 4.4-5.3 HA VAL 77 - QD2 LEU 42 far 0 85 0 - 4.9-6.7 HA VAL 132 - QD2 LEU 42 far 0 60 0 - 7.0-7.8 Violated in 19 structures by 0.23 A. Peak 1333 from aliabs.peaks (1.37, 0.56, 24.08 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.1 3.1=100 HG2 LYS 36 - QD2 LEU 42 far 0 99 0 - 7.7-11.6 HG LEU 96 - QD2 LEU 42 far 0 73 0 - 8.1-9.2 HB2 LEU 96 - QD2 LEU 42 far 0 99 0 - 8.4-9.6 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 2.6-3.1 3.1=100 HG LEU 69 - QD2 LEU 42 far 3 60 5 - 3.5-6.9 HG13 ILE 37 - QD2 LEU 42 far 0 97 0 - 7.0-8.7 HG LEU 49 - QD2 LEU 42 far 0 63 0 - 7.4-10.6 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 5 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 69 - QD2 LEU 42 far 3 60 5 - 3.5-6.9 HB2 LEU 49 - QD2 LEU 42 far 0 97 0 - 7.8-11.3 HG3 LYS 86 - QD2 LEU 42 far 0 97 0 - 7.8-10.0 HG3 LYS 36 - QD2 LEU 42 far 0 63 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 1336 from aliabs.peaks (0.63, 0.56, 24.08 ppm; 2.64 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 129 - QD2 LEU 42 far 0 89 0 - 4.7-5.6 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 2.9-3.7 6504=72, 3.6/1332=53...(20) H ASP 131 - QD2 LEU 42 far 0 92 0 - 5.3-6.3 H GLU 40 - QD2 LEU 42 far 0 100 0 - 5.6-6.5 H LEU 69 - QD2 LEU 42 far 0 97 0 - 6.9-8.7 H VAL 126 - QD2 LEU 42 far 0 99 0 - 8.3-9.7 H LEU 49 - QD2 LEU 42 far 0 95 0 - 8.5-10.3 H LEU 96 - QD2 LEU 42 far 0 96 0 - 9.3-10.2 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 6 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.9 2.8=100 H ASP 131 - HA LEU 43 far 0 92 0 - 6.0-7.1 H GLU 40 - HA LEU 43 far 0 100 0 - 7.1-7.8 H LEU 49 - HA LEU 43 far 0 95 0 - 7.2-8.4 H LEU 69 - HA LEU 43 far 0 97 0 - 8.9-10.5 H VAL 126 - HA LEU 43 far 0 99 0 - 9.7-10.8 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 4 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 39 - HA LEU 43 far 0 71 0 - 6.0-9.1 HD3 LYS 39 - HA LEU 43 far 0 97 0 - 6.6-9.0 HG LEU 48 - HA LEU 43 far 0 97 0 - 9.1-10.5 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 2.3-3.0 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 2.6-3.6 3.7=100 HB2 LEU 69 - HA LEU 43 far 0 99 0 - 5.8-9.1 Violated in 0 structures by 0.00 A. Peak 1344 from aliabs.peaks (0.68, 3.78, 57.62 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.7-3.9 4.1=87, 2.1/1345=77...(14) QD1 ILE 129 - HA LEU 43 far 0 65 0 - 7.1-8.1 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 1.9-2.3 3.9=83, 2.1/1344=62...(17) HG12 ILE 129 - HA LEU 43 far 0 100 0 - 7.2-9.3 QD2 LEU 96 - HA LEU 43 far 0 100 0 - 7.3-8.5 QD1 LEU 96 - HA LEU 43 far 0 60 0 - 8.6-9.8 QG1 VAL 93 - HA LEU 43 far 0 99 0 - 9.4-10.6 QD1 ILE 37 - HA LEU 43 far 0 73 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 1346 from aliabs.peaks (8.33, 3.78, 57.62 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HA LEU 43 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 72 - HA LEU 43 far 0 97 0 - 9.2-10.4 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 = 1.00: * QB ALA 46 + HA LEU 43 OK 100 100 100 100 1.9-2.5 9176/1345=63...(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 2.4-4.5 9055/3.2=79, 1246/1.8=77...(15) HB2 SER 130 + HB2 LEU 43 OK 92 97 95 100 3.6-6.3 11720/3.2=79...(20) HB2 SER 50 - HB2 LEU 43 far 0 99 0 - 9.5-12.4 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 2.3-3.6 3.9=100 H GLU 40 + HB2 LEU 43 OK 65 100 65 100 4.6-6.4 10927/3.2=59...(18) H ASP 131 - HB2 LEU 43 far 0 92 0 - 7.2-9.0 H LEU 49 - HB2 LEU 43 far 0 95 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 1351 from aliabs.peaks (3.78, 1.70, 40.78 ppm; 4.78 A): 2 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 85 100 85 100 5.0-5.9 11747/3.2=77...(33) HB3 SER 130 - HB2 LEU 43 far 15 100 15 - 4.4-7.0 HA VAL 133 - HB2 LEU 43 far 0 98 0 - 8.1-9.5 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 2 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 69 - HB2 LEU 43 far 0 99 0 - 8.3-11.7 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 2.2-2.6 3.2=100 QD1 ILE 129 - HB2 LEU 43 far 0 65 0 - 9.5-10.3 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 QD2 LEU 96 - HB2 LEU 43 far 0 100 0 - 9.8-10.9 HG12 ILE 129 - HB2 LEU 43 far 0 100 0 - 9.9-11.8 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 2.3-3.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 1358 from aliabs.peaks (3.83, 1.28, 40.78 ppm; 5.32 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 40 + HB3 LEU 43 OK 100 100 100 100 2.4-6.1 1246=100, 9055/3.2=86...(15) HB2 SER 130 + HB3 LEU 43 OK 97 97 100 100 2.1-5.6 11720/3.2=85, ~10509=65...(19) HB2 SER 50 - HB3 LEU 43 far 0 99 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 1359 from aliabs.peaks (8.29, 1.28, 40.78 ppm; 5.22 A): 1 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 ASP 131 - HB3 LEU 43 far 14 92 15 - 5.5-9.1 H GLU 40 - HB3 LEU 43 far 10 100 10 - 4.7-7.7 H LEU 49 - HB3 LEU 43 far 0 95 0 - 8.1-10.4 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 2.3-3.0 3.0=100 HA SER 130 + HB3 LEU 43 OK 95 100 95 100 3.9-5.9 11747/3.2=78, ~11805=41...(30) HB3 SER 130 + HB3 LEU 43 OK 90 100 90 100 3.3-7.1 10509/3.2=79, ~11805=58...(28) HA VAL 133 - HB3 LEU 43 far 0 98 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 1361 from aliabs.peaks (1.70, 1.28, 40.78 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 - HB3 LEU 43 poor 19 97 20 - 4.6-8.1 HD2 LYS 39 - HB3 LEU 43 poor 18 71 25 - 4.8-8.2 HG LEU 48 - HB3 LEU 43 far 0 97 0 - 9.7-11.3 HG2 ARG 135 - HB3 LEU 43 far 0 100 0 - 9.8-13.0 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 2 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 69 - HB3 LEU 43 far 0 99 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 1364 from aliabs.peaks (0.68, 1.28, 40.78 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.0-2.5 3.2=100 QD1 ILE 129 - HB3 LEU 43 far 0 65 0 - 8.5-10.1 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 2.2-3.2 3.2=100 HG12 ILE 129 - HB3 LEU 43 far 0 100 0 - 8.4-11.1 QD2 LEU 96 - HB3 LEU 43 far 0 100 0 - 8.9-10.4 QD1 ILE 37 - HB3 LEU 43 far 0 73 0 - 9.9-12.2 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 2.4-4.1 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 2.6-3.6 3.7=100 HA SER 130 + HG LEU 43 OK 100 100 100 100 3.3-4.7 11747/2.1=98, ~11805=68...(32) HB3 SER 130 + HG LEU 43 OK 85 100 85 100 4.5-6.5 10509/2.1=99, ~11805=86...(27) HA VAL 133 + HG LEU 43 OK 34 98 35 100 5.6-7.8 3.2/10572=91, ~11679=74...(22) HA VAL 133 - HG2 ARG 84 far 0 82 0 - 8.1-12.9 HA VAL 133 - HG3 ARG 84 far 0 85 0 - 8.4-12.1 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 82 97 85 99 3.5-6.0 ~11901=54, ~11073=38...(27) HD2 LYS 39 + HG LEU 43 OK 67 71 95 100 2.6-5.7 ~11901=54, ~11073=38...(27) HG2 ARG 135 - HG3 ARG 84 far 13 89 15 - 4.9-10.7 HG2 ARG 135 - HG2 ARG 84 far 0 86 0 - 5.8-11.9 HG2 ARG 135 - HG LEU 43 far 0 100 0 - 8.7-12.5 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 - 8.1-9.6 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 QD2 LEU 96 - HG LEU 43 far 0 100 0 - 9.1-10.4 HG12 ILE 129 - HG LEU 43 far 0 100 0 - 9.1-10.9 QD1 ILE 37 - HG LEU 43 far 0 73 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1375 from aliabs.peaks (8.29, 0.68, 25.73 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.3-3.8 6509=100, 6508/2.1=81...(26) H GLU 40 + QD1 LEU 43 OK 85 100 85 100 3.8-5.4 2.8/9055=60, 10927=53...(26) H ASP 131 - QD1 LEU 43 far 9 92 10 - 4.9-6.8 H LEU 49 - QD1 LEU 43 far 0 95 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 1376 from aliabs.peaks (3.78, 0.68, 25.73 ppm; 3.75 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.7-3.9 1344=88, 1345/2.1=72...(14) HA SER 130 + QD1 LEU 43 OK 100 100 100 100 3.2-4.5 11747/2.1=64...(32) HB3 SER 130 + QD1 LEU 43 OK 25 100 25 100 4.0-5.9 10509/2.1=66, ~11805=47...(28) HA VAL 133 - QD1 LEU 43 far 0 98 0 - 5.1-5.9 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 4 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.2-2.6 3.2=100 HD3 LYS 39 + QD1 LEU 43 OK 96 97 100 98 1.9-4.4 3.0/11901=55...(29) HD2 LYS 39 + QD1 LEU 43 OK 66 71 95 99 1.9-4.8 3.0/11901=55...(31) HG2 ARG 135 - QD1 LEU 43 far 0 100 0 - 6.6-9.2 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 2.0-2.5 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 3 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 69 - QD1 LEU 43 far 0 99 0 - 8.4-11.2 QB ALA 88 - QD1 LEU 43 far 0 83 0 - 8.9-10.2 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 6 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 HG12 ILE 129 - QD1 LEU 43 far 0 100 0 - 8.2-9.5 QD2 LEU 96 - QD1 LEU 43 far 0 100 0 - 8.6-9.8 QD1 ILE 37 - QD1 LEU 43 far 0 73 0 - 9.2-10.4 QG1 VAL 93 - QD1 LEU 43 far 0 99 0 - 9.8-11.0 QD1 LEU 96 - QD1 LEU 43 far 0 60 0 - 9.9-11.1 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 4.2-4.9 6523=100, 6522/2.1=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 2.2-3.9 6510=92, 6508/2.1=71...(24) H ASP 131 + QD2 LEU 43 OK 87 92 100 95 4.2-4.6 3.6/11747=47...(11) H GLU 40 - QD2 LEU 43 far 0 100 0 - 5.2-6.4 H LEU 49 - QD2 LEU 43 far 0 95 0 - 7.7-9.2 H VAL 126 - QD2 LEU 43 far 0 99 0 - 8.6-9.7 H LEU 69 - QD2 LEU 43 far 0 97 0 - 8.8-10.6 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 5 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 43 OK 97 100 100 97 1.8-2.0 11747=36, 3.0/11805=32...(30) * HA LEU 43 + QD2 LEU 43 OK 95 100 100 95 1.9-2.3 1345=47, 1344/2.1=35...(15) HB3 SER 130 + QD2 LEU 43 OK 94 100 100 94 2.3-3.5 1.8/11805=43, 10509=36...(26) HA VAL 133 - QD2 LEU 43 far 0 98 0 - 4.4-5.6 HA ARG 90 - QD2 LEU 43 far 0 78 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1385 from aliabs.peaks (1.70, 0.74, 22.24 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 HD2 LYS 39 + QD2 LEU 43 OK 35 71 50 98 3.4-5.8 3.0/11073=39, ~11901=31...(32) HD3 LYS 39 - QD2 LEU 43 far 15 97 15 - 4.3-6.0 HG2 ARG 135 - QD2 LEU 43 far 0 100 0 - 6.2-9.2 HG LEU 48 - QD2 LEU 43 far 0 97 0 - 9.7-11.0 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 2.2-3.2 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 - 6.1-9.2 QB ALA 88 - QD2 LEU 43 far 0 83 0 - 8.1-9.1 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 - 6.0-6.8 Violated in 0 structures by 0.00 A. Peak 1389 from aliabs.peaks (0.74, 0.74, 22.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 1390 from aliabs.peaks (8.33, 0.74, 22.24 ppm; 6.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + QD2 LEU 43 OK 100 100 100 100 4.1-4.7 6524=100, 6522/2.1=100...(12) H TYR 72 - QD2 LEU 43 far 0 97 0 - 8.2-10.3 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 10 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLU 40 - HA GLU 44 far 0 100 0 - 5.9-8.4 HB2 GLN 127 - HA LEU 122 far 0 35 0 - 7.3-9.5 HB ILE 129 - HA LEU 96 far 0 50 0 - 7.9-9.2 HB ILE 129 - HA LEU 122 far 0 41 0 - 8.4-10.0 HB2 GLN 127 - HA LEU 96 far 0 43 0 - 8.8-11.1 HB3 PRO 117 - HA LEU 122 far 0 47 0 - 9.1-10.4 HB ILE 129 - HA GLU 44 far 0 81 0 - 9.6-11.3 HG2 PRO 117 - HA LEU 122 far 0 30 0 - 9.7-11.1 HB3 PRO 117 - HA LEU 96 far 0 57 0 - 9.8-12.2 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 14 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 118 - HA LEU 122 far 0 57 0 - 7.1-8.4 HB2 GLN 127 - HA LEU 122 far 0 37 0 - 7.3-9.5 HB2 GLU 128 - HA LEU 96 far 0 68 0 - 7.4-8.5 HB2 GLU 128 - HA LEU 122 far 0 57 0 - 7.6-8.7 HB2 GLU 102 - HA LEU 122 far 0 56 0 - 7.7-11.0 HB2 GLU 102 - HA LEU 96 far 0 67 0 - 8.0-9.9 HB VAL 118 - HA LEU 96 far 0 68 0 - 8.1-10.0 HB2 LEU 62 - HA LEU 122 far 0 50 0 - 8.6-10.5 HG3 GLN 134 - HA GLU 44 far 0 100 0 - 8.8-12.5 HB2 GLN 127 - HA LEU 96 far 0 45 0 - 8.8-11.1 HG3 GLU 91 - HA LEU 96 far 0 53 0 - 9.1-10.4 HB3 LYS 39 - HA GLU 44 far 0 99 0 - 9.2-10.9 HG2 PRO 117 - HA LEU 122 far 0 41 0 - 9.7-11.1 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 2.1-3.5 3.7=100 HG2 GLU 40 - HA GLU 44 far 0 68 0 - 6.5-9.3 HG2 GLU 128 - HA LEU 122 far 0 35 0 - 6.6-11.3 HG2 GLU 128 - HA LEU 96 far 0 43 0 - 6.8-10.6 HG2 GLU 102 - HA LEU 122 far 0 53 0 - 7.4-12.1 HG2 GLU 102 - HA LEU 96 far 0 64 0 - 7.7-11.2 HG2 GLN 127 - HA LEU 122 far 0 32 0 - 7.7-9.7 HB3 GLN 101 - HA LEU 96 far 0 60 0 - 7.8-10.6 HG3 GLN 68 - HA GLU 44 far 0 100 0 - 8.4-10.4 HB3 GLN 101 - HA LEU 122 far 0 50 0 - 8.8-11.4 HG2 GLN 127 - HA GLU 44 far 0 65 0 - 9.0-11.0 HB3 GLN 134 - HA GLU 44 far 0 95 0 - 9.1-11.6 HG2 GLN 127 - HA LEU 96 far 0 39 0 - 9.3-11.7 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 6 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.1-3.3 3.7=100 HG3 GLU 102 - HA LEU 122 far 0 38 0 - 6.5-11.3 HG3 GLU 102 - HA LEU 96 far 0 46 0 - 7.4-10.2 HG3 GLN 127 - HA LEU 122 far 0 59 0 - 7.4-9.4 HG3 GLN 127 - HA GLU 44 far 0 100 0 - 9.4-12.1 HG3 GLN 127 - HA LEU 96 far 0 70 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1398 from aliabs.peaks (8.46, 4.04, 58.87 ppm; 6.20 A): 4 out of 7 assignments used, quality = 1.00: * H ASP 47 + HA GLU 44 OK 100 100 100 100 3.3-3.9 6563=100, 6571/1400=97...(9) H LEU 100 + HA LEU 96 OK 33 34 100 97 3.7-5.1 4.9/11488=45...(23) H LEU 100 + HA LEU 122 OK 27 27 100 99 4.3-6.1 4.5/3214=47, 4.5/3208=45...(25) H VAL 93 + HA LEU 96 OK 25 50 50 100 6.8-7.4 ~7311=68, ~2908=62...(16) H LEU 70 - HA LEU 96 far 0 68 0 - 7.7-9.5 H LEU 70 - HA LEU 122 far 0 57 0 - 8.5-10.8 H VAL 93 - HA LEU 122 far 0 41 0 - 8.5-10.0 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 3.1-4.8 1471=100, 1.8/1400=87...(6) HB2 CYS 125 + HA LEU 96 OK 61 61 100 100 2.4-3.6 11655/3.0=49...(26) HB2 CYS 125 + HA LEU 122 OK 50 51 100 99 2.2-4.2 1.8/3994=45...(18) HB2 CYS 73 - HA LEU 96 far 0 48 0 - 9.0-10.9 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 = 1.00: * HB3 ASP 47 + HA GLU 44 OK 100 100 100 100 2.6-3.5 1477=93, 1.8/1471=71...(6) Violated in 0 structures by 0.00 A. Peak 1401 from aliabs.peaks (3.91, 2.02, 28.31 ppm; 3.80 A): 3 out of 7 assignments used, quality = 1.00: * HA ALA 41 + HB2 GLU 44 OK 100 100 100 100 2.3-4.5 1409/1.8=77...(17) HA ALA 41 + HB3 GLU 40 OK 84 99 85 100 3.9-5.6 2.9/6471=57...(25) HA LYS 86 + HG2 ARG 90 OK 23 36 95 67 3.7-4.9 11157/9662=27...(12) HB2 SER 94 - HG2 ARG 90 far 0 55 0 - 6.1-7.9 HA ALA 46 - HB2 GLU 44 far 0 78 0 - 7.5-8.0 HA3 GLY 75 - HG2 ARG 90 far 0 46 0 - 8.0-10.6 HB2 SER 51 - HB2 GLU 44 far 0 63 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 1402 from aliabs.peaks (8.33, 2.02, 28.31 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.1-3.6 3.9=100 H GLU 44 + HB3 GLU 40 OK 74 99 80 94 4.6-6.3 6514/3.0=73...(6) H TYR 72 - HB2 GLU 44 far 0 97 0 - 9.5-12.2 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 8 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 44 - HB3 GLU 40 far 0 99 0 - 5.9-8.4 HA ILE 37 - HB3 GLU 40 far 0 77 0 - 6.7-9.6 HB2 SER 74 - HG2 ARG 90 far 0 56 0 - 6.9-10.1 HA ILE 37 - HB2 GLU 44 far 0 81 0 - 7.7-10.1 HB3 SER 74 - HG2 ARG 90 far 0 51 0 - 8.0-10.7 HA ALA 92 - HG2 ARG 90 far 0 58 0 - 8.6-9.3 HD3 PRO 81 - HG2 ARG 90 far 0 65 0 - 9.5-11.9 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 8 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 44 - HB3 GLU 40 far 0 99 0 - 4.8-7.4 HB3 LYS 39 - HB3 GLU 40 far 0 97 0 - 4.8-7.2 HG3 GLU 91 - HG2 ARG 90 far 0 49 0 - 7.5-8.8 HG3 GLN 134 - HB3 GLU 40 far 0 98 0 - 8.2-12.9 HB3 LYS 39 - HB2 GLU 44 far 0 99 0 - 8.3-11.2 HB2 GLU 128 - HG2 ARG 90 far 0 63 0 - 9.6-13.3 HG3 PRO 81 - HB3 GLU 40 far 0 72 0 - 9.8-17.7 Violated in 0 structures by 0.00 A. Peak 1406 from aliabs.peaks (2.31, 2.02, 28.31 ppm; 3.80 A): 4 out of 8 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 40 + HB3 GLU 40 OK 65 65 100 100 2.3-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 40 OK 61 99 85 73 3.4-7.4 1419=33, 10949/10857=24...(7) HB VAL 77 + HG2 ARG 90 OK 41 41 100 100 2.4-4.2 2.1/9662=70, 2.1/9652=63...(29) HG2 GLU 40 - HB2 GLU 44 far 0 68 0 - 4.9-8.7 HG3 GLN 68 - HB2 GLU 44 far 0 100 0 - 7.2-9.3 HB3 GLN 134 - HB3 GLU 40 far 0 91 0 - 8.9-12.5 HG2 GLU 128 - HG2 ARG 90 far 0 39 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1407 from aliabs.peaks (2.48, 2.02, 28.31 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 44 - HB3 GLU 40 far 10 99 10 - 2.9-6.7 HB2 ASP 78 - HG2 ARG 90 far 0 61 0 - 6.7-8.8 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 6 assignments used, quality = 0.95: * HA ALA 41 + HB3 GLU 44 OK 95 100 95 100 2.0-4.7 1281=75, 6515/6527=46...(20) HA LYS 86 - HB3 GLN 82 far 0 38 0 - 6.7-8.6 HA ALA 46 - HB3 GLU 44 far 0 78 0 - 7.5-8.0 HB2 SER 107 - HB2 GLU 102 far 0 65 0 - 7.5-12.2 HA ALA 46 - HB2 GLU 128 far 0 51 0 - 9.0-10.5 HA2 GLY 111 - HB2 GLU 102 far 0 53 0 - 9.4-18.0 Violated in 5 structures by 0.14 A. Peak 1410 from aliabs.peaks (8.33, 2.07, 28.31 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.1-3.6 3.9=100 H TYR 72 - HB3 GLU 44 far 0 97 0 - 9.7-12.1 H ALA 110 - HB2 GLU 102 far 0 53 0 - 9.7-15.9 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 2.5-3.0 3.0=100 HA GLU 102 + HB2 GLU 102 OK 64 64 100 100 2.4-3.0 3.0=100 HA LEU 103 - HB2 GLU 102 poor 9 36 25 - 3.9-5.7 HA ALA 92 - HB2 GLU 128 far 7 65 10 - 4.3-6.2 HD3 PRO 81 - HB3 GLN 82 far 0 68 0 - 4.5-6.8 HB3 SER 124 - HB2 GLU 128 far 0 37 0 - 6.5-8.7 HA ARG 135 - HB3 GLN 82 far 0 43 0 - 6.8-10.7 HA LEU 96 - HB2 GLU 128 far 0 67 0 - 7.4-8.5 HA LEU 122 - HB2 GLU 128 far 0 74 0 - 7.6-8.7 HA LEU 122 - HB2 GLU 102 far 0 66 0 - 7.7-11.0 HA ILE 37 - HB3 GLU 44 far 0 81 0 - 7.8-10.3 HA LEU 119 - HB2 GLU 102 far 0 54 0 - 7.9-11.3 HA LEU 96 - HB2 GLU 102 far 0 59 0 - 8.0-9.9 HA LYS 95 - HB2 GLU 102 far 0 53 0 - 8.1-11.0 HA LYS 95 - HB2 GLU 128 far 0 59 0 - 9.1-10.7 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 17 assignments used, quality = 1.00: * HB2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 81 - HB3 GLN 82 poor 12 55 70 30 3.1-6.4 11914/4.0=14, ~11264=11...(4) HG3 PRO 81 - HB3 GLN 82 far 6 40 15 - 3.0-5.1 HB2 GLN 127 - HB2 GLU 128 far 0 45 0 - 4.5-6.0 HB ILE 129 - HB2 GLU 128 far 0 53 0 - 4.7-6.4 HB3 GLU 40 - HB3 GLU 44 far 0 100 0 - 4.8-7.4 HG3 ARG 135 - HB3 GLN 82 far 0 65 0 - 5.1-10.2 HB2 PRO 81 - HB3 GLN 82 far 0 29 0 - 5.2-6.9 HG2 PRO 117 - HB2 GLU 102 far 0 34 0 - 6.2-9.5 HB2 GLU 91 - HB2 GLU 128 far 0 37 0 - 6.8-10.3 HB3 GLU 91 - HB2 GLU 128 far 0 70 0 - 7.3-10.2 HB3 PRO 117 - HB2 GLU 102 far 0 53 0 - 7.5-10.5 HG3 PRO 117 - HB2 GLU 102 far 0 34 0 - 7.8-11.2 HG3 ARG 135 - HB2 GLU 128 far 0 70 0 - 8.4-12.2 HB2 GLN 134 - HB3 GLN 82 far 0 69 0 - 8.6-14.0 QE MET 11 - HB2 GLU 102 far 0 65 0 - 9.2-48.7 HG2 ARG 90 - HB2 GLU 128 far 0 74 0 - 9.6-13.3 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 10 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 45 45 100 100 2.2-3.0 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 3 55 5 - 4.0-6.0 HG2 GLU 40 - HB3 GLU 44 far 0 68 0 - 4.6-8.8 HG2 GLN 127 - HB2 GLU 128 far 0 41 0 - 6.7-8.0 HG3 GLN 68 - HB3 GLU 44 far 0 100 0 - 7.3-9.6 HB3 GLN 134 - HB3 GLN 82 far 0 61 0 - 8.2-13.8 HB3 GLN 134 - HB2 GLU 128 far 0 65 0 - 9.7-13.1 HB VAL 77 - HB2 GLU 128 far 0 47 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1415 from aliabs.peaks (2.48, 2.07, 28.31 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLU 102 + HB2 GLU 102 OK 43 43 100 100 2.2-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 0 73 0 - 6.7-7.9 HG3 GLN 104 - HB2 GLU 102 far 0 60 0 - 6.9-7.8 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 2.5-3.6 6528=100, 1424/1.8=96...(18) H ALA 110 - HG2 GLU 102 far 0 71 0 - 7.9-17.7 Violated in 0 structures by 0.00 A. Peak 1418 from aliabs.peaks (4.04, 2.31, 34.64 ppm; 3.63 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.1-3.5 3.7=95, 1425/1.8=73...(13) HA GLU 102 + HG2 GLU 102 OK 84 84 100 99 2.2-3.8 3.7=92, 2.9/3348=42...(9) HA LEU 103 - HG2 GLU 102 poor 10 50 20 - 3.2-6.7 HA LEU 122 - HG2 GLU 102 far 0 87 0 - 7.4-12.1 HA LEU 96 - HG2 GLU 102 far 0 79 0 - 7.7-11.2 HA LYS 95 - HG2 GLU 102 far 0 71 0 - 7.7-11.1 HA LEU 119 - HG2 GLU 102 far 0 73 0 - 7.8-13.3 HA ILE 37 - HG2 GLU 44 far 0 81 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 1419 from aliabs.peaks (2.02, 2.31, 34.64 ppm; 3.71 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLU 40 + HG2 GLU 44 OK 49 100 75 65 3.4-7.4 10857/10949=22, 1406=21...(7) HG2 PRO 117 - HG2 GLU 102 far 0 48 0 - 6.1-10.5 HG3 PRO 117 - HG2 GLU 102 far 0 48 0 - 7.6-11.9 HB3 PRO 117 - HG2 GLU 102 far 0 71 0 - 7.6-12.3 QE MET 11 - HG2 GLU 102 far 0 86 0 - 9.2-50.7 HB VAL 63 - HG2 GLU 102 far 0 87 0 - 9.7-13.4 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 8 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 102 + HG2 GLU 102 OK 83 83 100 100 2.2-3.0 3.0=100 HB VAL 118 - HG2 GLU 102 far 4 84 5 - 4.4-9.3 HG2 PRO 117 - HG2 GLU 102 far 0 64 0 - 6.1-10.5 HB3 LYS 39 - HG2 GLU 44 far 0 99 0 - 7.4-10.2 HG3 PRO 117 - HG2 GLU 102 far 0 64 0 - 7.6-11.9 HG3 GLN 134 - HG2 GLU 44 far 0 100 0 - 8.9-13.4 HB2 LEU 62 - HG2 GLU 102 far 0 75 0 - 9.2-13.9 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 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 1424 from aliabs.peaks (8.33, 2.48, 34.64 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 3.0-3.5 6529=100, 6528/1.8=95...(18) 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 6 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.1-3.3 3.7=96, 1418/1.8=76...(12) HA GLU 102 - HG3 GLN 104 far 0 76 0 - 5.1-6.4 HA LEU 103 - HG3 GLN 104 far 0 44 0 - 5.3-6.9 HA ILE 37 - HG3 GLU 44 far 0 81 0 - 8.7-11.3 HA LEU 119 - HG3 GLN 104 far 0 65 0 - 9.8-13.2 HB THR 65 - HG3 GLN 104 far 0 52 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 1426 from aliabs.peaks (2.02, 2.48, 34.64 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 40 - HG3 GLU 44 far 10 100 10 - 2.9-6.7 HB VAL 63 - HG3 GLN 104 far 8 78 10 - 4.4-7.2 HB3 MET 11 - HG3 GLN 104 far 4 72 5 - 4.4-50.1 QE MET 11 - HG3 GLN 104 far 0 78 0 - 5.5-45.1 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 - 6.9-7.8 HB2 LEU 62 - HG3 GLN 104 far 0 67 0 - 7.1-10.6 HB VAL 118 - HG3 GLN 104 far 0 76 0 - 8.3-11.1 HB3 LYS 39 - HG3 GLU 44 far 0 99 0 - 8.6-10.6 HG3 GLN 134 - HG3 GLU 44 far 0 100 0 - 8.8-13.2 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 3 68 5 - 3.3-8.1 HB3 GLN 101 - HG3 GLN 104 far 0 67 0 - 4.6-6.8 HG2 GLU 102 - HG3 GLN 104 far 0 71 0 - 7.1-9.3 HG3 GLN 68 - HG3 GLU 44 far 0 100 0 - 9.4-11.8 HB3 GLN 134 - HG3 GLU 44 far 0 95 0 - 9.4-12.6 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 2.8-2.9 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 6 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 36 - HA CYS 45 far 0 71 0 - 7.2-12.3 HE2 LYS 36 - HA CYS 45 far 0 71 0 - 7.8-12.5 HE3 LYS 26 - HA CYS 45 far 0 65 0 - 8.0-35.7 HE2 LYS 26 - HA CYS 45 far 0 73 0 - 8.4-35.0 HE2 LYS 39 - HA CYS 45 far 0 99 0 - 9.9-14.3 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 2.4-2.6 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 3.3-3.9 6585/1438=88...(14) H ALA 52 - HA CYS 45 far 0 78 0 - 8.6-9.2 H SER 130 - HA CYS 45 far 0 95 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 1437 from aliabs.peaks (1.78, 4.11, 62.25 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + HA CYS 45 OK 100 100 100 100 2.5-4.3 1.8/1438=79...(13) Violated in 0 structures by 0.00 A. Peak 1438 from aliabs.peaks (1.89, 4.11, 62.25 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.90: * HB3 LEU 48 + HA CYS 45 OK 90 100 90 100 2.4-5.6 1.8/1437=75...(15) HB3 LEU 49 - HA CYS 45 far 8 81 10 - 4.5-8.4 HB3 LYS 36 - HA CYS 45 far 0 97 0 - 8.3-14.8 HB2 GLU 40 - HA CYS 45 far 0 100 0 - 9.1-11.2 Violated in 2 structures by 0.13 A. Peak 1439 from aliabs.peaks (3.47, 2.93, 26.00 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB2 CYS 45 OK 100 100 100 100 2.7-4.1 1295=100, 1445/1.8=84...(10) HA ILE 129 - HB2 CYS 45 far 0 92 0 - 9.9-11.6 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 3.0-3.0 3.0=100 HA LEU 49 - HB2 CYS 45 far 0 99 0 - 7.7-9.4 HA LEU 48 - HB2 CYS 45 far 0 93 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 1442 from aliabs.peaks (2.93, 2.93, 26.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 45 + HB2 CYS 45 OK 100 100 - 100 Peak 1443 from aliabs.peaks (3.12, 2.93, 26.00 ppm; 3.60 A): 1 out of 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 - 8.0-9.6 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 2.5-3.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 1445 from aliabs.peaks (3.47, 3.12, 26.00 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB3 CYS 45 OK 100 100 100 100 3.7-5.5 1295/1.8=84, 1296=79...(7) Violated in 5 structures by 0.08 A. Peak 1446 from aliabs.peaks (7.69, 3.12, 26.00 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.4-3.6 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 2.4-2.6 3.0=100 HA LEU 49 - HB3 CYS 45 far 0 99 0 - 6.5-8.8 HA LEU 48 - HB3 CYS 45 far 0 93 0 - 7.0-8.2 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 5 assignments used, quality = 1.00: * HB2 CYS 45 + HB3 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 36 - HB3 CYS 45 far 0 71 0 - 6.3-11.7 HE2 LYS 36 - HB3 CYS 45 far 0 71 0 - 6.7-11.4 HE3 LYS 26 - HB3 CYS 45 far 0 65 0 - 8.1-34.5 HE2 LYS 26 - HB3 CYS 45 far 0 73 0 - 8.9-33.7 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 3.3-3.9 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 3.4-3.5 3.6=100 H LEU 70 - HA ALA 46 far 0 99 0 - 6.5-8.1 H VAL 132 - HA ALA 46 far 0 92 0 - 9.7-10.6 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 3.5-4.3 6573/3.6=64...(19) H LEU 69 - HA ALA 46 poor 20 100 20 - 5.4-6.8 H VAL 126 - HA ALA 46 far 0 81 0 - 6.5-7.3 H LEU 43 - HA ALA 46 far 0 95 0 - 7.0-7.6 H ASP 131 - HA ALA 46 far 0 63 0 - 7.7-8.9 H TYR 72 - HA ALA 46 far 0 81 0 - 8.5-9.4 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 96 100 100 96 1.9-2.5 1348=47, 1345/9176=39...(13) HB3 SER 130 + QB ALA 46 OK 87 100 100 88 1.9-3.9 10508=39, 1.8/11718=37...(12) HA SER 130 + QB ALA 46 OK 64 100 70 92 3.4-4.3 11747/9176=34...(14) HA VAL 133 - QB ALA 46 far 0 98 0 - 7.9-9.1 HA GLU 97 - QB ALA 46 far 0 92 0 - 9.4-10.4 HA ARG 90 - QB ALA 46 far 0 78 0 - 9.4-10.4 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 1 assignment used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 100 100 2.0-2.2 3.1=100 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 4 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 - 4.5-7.0 HA LEU 70 - QB ALA 46 far 0 97 0 - 6.6-8.3 HA ALA 41 - QB ALA 46 far 0 78 0 - 6.8-7.9 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 2.6-3.0 3.7=100 H LEU 70 - QB ALA 46 far 0 99 0 - 6.3-7.6 H VAL 132 - QB ALA 46 far 0 92 0 - 6.3-7.1 H VAL 93 - QB ALA 46 far 0 81 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 1463 from aliabs.peaks (8.46, 4.34, 56.63 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 132 - HA GLN 134 far 0 61 0 - 6.6-7.4 H LEU 70 - HA LYS 24 far 0 81 0 - 9.8-34.8 H VAL 132 - HA ASP 47 far 0 92 0 - 10.0-11.7 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 3 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 85 - HA GLN 134 far 0 40 0 - 6.4-9.9 HB3 ASP 35 - HA LYS 24 far 0 78 0 - 8.2-27.1 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 6 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 49 0 - 5.3-9.2 HB3 ASP 71 - HA LYS 24 far 0 51 0 - 5.8-30.0 HB3 ASN 85 - HA GLN 134 far 0 63 0 - 6.8-8.9 HB3 ASP 131 - HA GLN 134 far 0 40 0 - 7.5-8.2 HB3 ASP 131 - HA ASP 47 far 0 65 0 - 9.2-11.9 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 3.5-3.6 3.6=100 H SER 130 - HA ASP 47 far 0 95 0 - 6.4-7.9 H ALA 52 - HA ASP 47 far 0 78 0 - 6.4-7.5 H SER 130 - HA GLN 134 far 0 64 0 - 8.2-9.5 H CYS 125 - HA ASP 47 far 0 99 0 - 10.0-11.9 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 3.2-3.7 3.9/1469=78...(12) Violated in 0 structures by 0.00 A. Peak 1469 from aliabs.peaks (3.82, 4.34, 56.63 ppm; 4.16 A): 1 out of 12 assignments used, quality = 0.99: * HB2 SER 50 + HA ASP 47 OK 99 100 100 99 2.5-4.7 1596=93, 1.8/1602=60...(7) HB2 SER 130 - HA ASP 47 far 5 100 5 - 5.0-6.5 HA LEU 62 - HA ASN 59 far 0 55 0 - 5.4-6.0 HB2 SER 130 - HA GLN 134 far 0 71 0 - 6.2-9.0 HD3 PRO 58 - HA ASN 59 far 0 59 0 - 6.2-7.0 HD2 PRO 81 - HA GLN 134 far 0 38 0 - 6.3-9.9 HA GLU 40 - HA GLN 134 far 0 71 0 - 6.4-10.0 HA LEU 123 - HA ASP 47 far 0 65 0 - 6.5-9.2 HD3 PRO 58 - HA LYS 24 far 0 83 0 - 8.6-44.8 HB3 SER 33 - HA LYS 24 far 0 76 0 - 9.0-26.1 HA VAL 118 - HA ASN 59 far 0 45 0 - 9.1-10.7 HA GLU 40 - HA ASP 47 far 0 99 0 - 9.3-11.4 Violated in 4 structures by 0.08 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 2.1-4.1 1602=94, 1.8/1596=89...(6) HA ALA 46 + HA ASP 47 OK 94 95 100 99 4.7-4.8 ~6568=54, ~1462=54...(13) HB3 SER 60 - HA ASN 59 far 0 29 0 - 5.6-6.6 HB2 SER 60 - HA ASN 59 far 0 29 0 - 5.7-6.6 HD2 PRO 81 - HA GLN 134 far 0 40 0 - 6.3-9.9 HA LEU 123 - HA ASP 47 far 0 63 0 - 6.5-9.2 HA2 GLY 114 - HA ASN 59 far 0 60 0 - 6.9-13.7 HB3 SER 60 - HA LYS 24 far 0 44 0 - 7.8-40.4 HB2 SER 33 - HA LYS 24 far 0 46 0 - 7.8-24.4 HB2 SER 60 - HA LYS 24 far 0 44 0 - 9.1-41.2 HA3 GLY 75 - HA LYS 24 far 0 74 0 - 9.6-30.3 Violated in 0 structures by 0.00 A. Peak 1471 from aliabs.peaks (4.04, 2.72, 39.77 ppm; 4.08 A): 1 out of 5 assignments used, quality = 0.99: * HA GLU 44 + HB2 ASP 47 OK 99 100 100 99 3.1-4.8 1400/1.8=83...(6) HB3 SER 74 - HB3 ASP 78 far 0 78 0 - 8.1-10.4 HB2 SER 74 - HB3 ASP 78 far 0 85 0 - 8.5-11.3 HB THR 65 - HB2 ASP 47 far 0 76 0 - 9.7-11.0 HD3 PRO 81 - HB3 ASP 78 far 0 94 0 - 9.8-10.8 Violated in 12 structures by 0.10 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 2.5-3.0 3.0=100 HA2 GLY 75 - HB3 ASP 78 far 4 88 5 - 4.4-7.3 HA ASP 131 - HB2 ASP 47 far 0 60 0 - 8.0-12.3 HA PRO 81 - HB3 ASP 78 far 0 90 0 - 8.9-11.0 HA LEU 69 - HB2 ASP 47 far 0 97 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 1474 from aliabs.peaks (2.72, 2.72, 39.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 HB3 ASP 78 + HB3 ASP 78 OK 92 92 - 100 Peak 1475 from aliabs.peaks (2.83, 2.72, 39.77 ppm; 2.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 131 - HB2 ASP 47 far 0 65 0 - 9.5-14.0 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 2.6-3.5 1400=100, 1471/1.8=75...(6) HB THR 65 - HB3 ASP 47 far 0 76 0 - 9.6-10.9 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 2.1-2.8 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 2.6-3.0 3.0=100 HA ASP 131 - HB3 ASP 47 far 0 60 0 - 9.2-11.2 HA LEU 69 - HB3 ASP 47 far 0 97 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 1480 from aliabs.peaks (2.72, 2.83, 39.77 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1481 from aliabs.peaks (2.83, 2.83, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 Peak 1482 from aliabs.peaks (8.05, 2.83, 39.77 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HB3 ASP 47 OK 100 100 100 100 2.7-3.5 4.7=100 H SER 130 - HB3 ASP 47 far 0 95 0 - 7.4-9.0 H ALA 52 - HB3 ASP 47 far 0 78 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 1483 from aliabs.peaks (8.05, 4.10, 58.01 ppm; 4.91 A): 4 out of 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 98 4.2-5.0 4.6/1621=61, 4.6/1615=59...(14) H LEU 48 + HA LEU 49 OK 57 57 100 99 5.1-5.6 6589/2.9=89, 6590/3.6=63...(13) H ALA 52 + HA LEU 49 OK 38 38 100 100 2.9-3.6 2.9/1631=49, ~9247=41...(29) H CYS 125 - HA LEU 49 far 0 55 0 - 9.5-11.5 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 11 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 98 + HA LEU 98 OK 94 94 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 70 74 95 99 3.7-5.0 7488/3.0=58, ~3378=26...(23) HB2 LEU 48 + HA LEU 49 OK 25 57 45 98 3.7-5.5 6598/2.9=56, 3.1/1521=24...(29) HB3 LEU 122 - HA LEU 49 far 0 52 0 - 5.5-10.5 HG LEU 100 - HA LEU 98 far 0 93 0 - 6.7-8.4 HB3 LEU 122 - HA LEU 98 far 0 89 0 - 7.1-10.8 HG LEU 100 - HA GLN 104 far 0 83 0 - 7.3-9.4 HB3 LEU 103 - HA LEU 98 far 0 85 0 - 7.6-11.0 HG LEU 100 - HA LEU 49 far 0 56 0 - 8.2-10.6 HB3 LEU 122 - HA GLN 104 far 0 78 0 - 9.4-11.6 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 9 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 49 + HA LEU 49 OK 40 40 100 100 2.3-2.7 3.0=100 HB3 LEU 48 + HA LEU 49 OK 25 57 45 98 3.7-5.4 ~6598=36, 6599/2.9=30...(30) HB3 LEU 123 - HA LEU 49 far 0 49 0 - 5.1-7.9 HB3 LEU 49 - HA LEU 48 far 0 81 0 - 5.9-6.6 HB3 LEU 119 - HA LEU 49 far 0 40 0 - 7.9-11.2 HB2 MET 11 - HA GLN 104 far 0 55 0 - 8.0-50.4 HB3 LEU 123 - HA LEU 48 far 0 93 0 - 8.7-11.4 HB2 MET 11 - HA LEU 98 far 0 65 0 - 9.0-55.3 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 7 assignments used, quality = 1.00: * HG LEU 48 + HA LEU 48 OK 100 100 100 100 2.2-4.2 3.7=100 HG LEU 98 + HA LEU 98 OK 94 94 100 100 2.6-3.7 3.7=100 HG LEU 48 - HA LEU 49 far 6 57 10 - 5.1-6.3 HB3 LEU 70 - HA LEU 98 far 0 95 0 - 7.6-9.8 HB2 LEU 70 - HA LEU 98 far 0 92 0 - 8.3-10.4 HB2 LEU 43 - HA LEU 48 far 0 97 0 - 9.5-10.5 HB3 LEU 70 - HA GLN 104 far 0 85 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 1488 from aliabs.peaks (0.90, 4.10, 58.01 ppm; 3.75 A): 6 out of 24 assignments used, quality = 1.00: * QD2 LEU 48 + HA LEU 48 OK 100 100 100 100 1.9-3.2 3.8=95, 10961/1615=37...(25) QD1 LEU 48 + HA LEU 48 OK 93 93 100 100 3.4-3.8 4.0=80, ~6586=33...(22) QD2 LEU 98 + HA LEU 98 OK 86 86 100 100 1.9-4.1 4.0=84, 2.1/3185=79...(17) QG2 VAL 63 + HA GLN 104 OK 73 73 100 100 1.9-3.7 2.1/11433=48...(23) QD2 LEU 48 + HA LEU 49 OK 57 57 100 99 2.3-4.0 1527/2.9=39, 1521=35...(31) QD1 LEU 49 + HA LEU 49 OK 45 45 100 99 2.0-4.0 4.1=78, 2.1/1573=66...(20) QD2 LEU 123 - HA LEU 49 poor 17 50 35 - 3.3-7.7 QD1 LEU 48 - HA LEU 49 far 7 49 15 - 2.3-5.8 QD1 LEU 49 - HA LEU 48 far 4 89 5 - 4.5-6.2 QD2 LEU 69 - HA LEU 49 far 1 28 5 - 4.6-6.7 QD1 LEU 62 - HA LEU 49 far 0 44 0 - 4.7-7.7 QD1 LEU 62 - HA GLN 104 far 0 68 0 - 5.8-8.2 QG1 VAL 118 - HA GLN 104 far 0 85 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 95 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 60 0 - 6.2-8.1 QG1 VAL 118 - HA LEU 98 far 0 94 0 - 6.4-7.0 QG1 VAL 118 - HA LEU 49 far 0 57 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 48 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 83 0 - 8.5-10.4 QG2 VAL 112 - HA GLN 104 far 0 47 0 - 8.5-11.6 QD1 LEU 62 - HA LEU 48 far 0 87 0 - 8.5-11.2 QD2 LEU 69 - HA LEU 98 far 0 52 0 - 9.5-12.6 QD1 LEU 49 - HA GLN 104 far 0 69 0 - 9.5-13.2 QD2 LEU 69 - HA GLN 104 far 0 44 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1489 from aliabs.peaks (0.91, 4.10, 58.01 ppm; 3.69 A): 6 out of 24 assignments used, quality = 1.00: * QD1 LEU 48 + HA LEU 48 OK 100 100 100 100 3.4-3.8 4.0=76, 1528/2.9=35...(22) QD2 LEU 48 + HA LEU 48 OK 93 93 100 100 1.9-3.2 3.8=91, 10961/1615=33...(25) QG2 VAL 63 + HA GLN 104 OK 85 85 100 100 1.9-3.7 2.1/11433=46...(23) QD2 LEU 98 + HA LEU 98 OK 57 57 100 100 1.9-4.1 4.0=80, 2.1/3185=77...(16) QD1 LEU 49 + HA LEU 49 OK 57 57 100 99 2.0-4.0 4.1=74, 2.1/1573=64...(20) QD2 LEU 48 + HA LEU 49 OK 48 49 100 98 2.3-4.0 1527/2.9=34, 1521=31...(31) QD2 LEU 123 - HA LEU 49 poor 11 31 35 - 3.3-7.7 QD1 LEU 48 - HA LEU 49 far 9 57 15 - 2.3-5.8 QD1 LEU 49 - HA LEU 48 far 5 100 5 - 4.5-6.2 QD1 LEU 62 - HA LEU 49 far 0 57 0 - 4.7-7.7 QD1 LEU 123 - HA LEU 49 far 0 46 0 - 5.5-8.1 QD1 LEU 62 - HA GLN 104 far 0 84 0 - 5.8-8.2 QG1 VAL 118 - HA GLN 104 far 0 71 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 65 0 - 6.1-9.5 QG1 VAL 118 - HA LEU 98 far 0 82 0 - 6.4-7.0 QD1 LEU 123 - HA LEU 48 far 0 90 0 - 7.2-9.6 QD1 LEU 119 - HA LEU 49 far 0 28 0 - 7.4-10.6 QD1 LEU 119 - HA GLN 104 far 0 44 0 - 7.7-10.4 QG1 VAL 118 - HA LEU 49 far 0 46 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 57 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 95 0 - 8.5-10.4 QG2 VAL 112 - HA GLN 104 far 0 74 0 - 8.5-11.6 QD1 LEU 62 - HA LEU 48 far 0 100 0 - 8.5-11.2 QD1 LEU 49 - HA GLN 104 far 0 84 0 - 9.5-13.2 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 3.4-3.6 3.6=100 H SER 99 + HA LEU 98 OK 91 91 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 57 57 100 100 2.7-2.9 2.9=100 H LEU 96 - HA LEU 98 far 0 62 0 - 6.7-7.3 H LEU 69 - HA LEU 49 far 0 57 0 - 7.4-9.4 H ALA 110 - HA GLN 104 far 0 73 0 - 7.7-11.3 H VAL 126 - HA LEU 49 far 0 40 0 - 7.9-10.0 H LEU 69 - HA LEU 48 far 0 100 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 1491 from aliabs.peaks (7.99, 4.10, 58.01 ppm; 5.72 A): 2 out of 4 assignments used, quality = 1.00: * H SER 51 + HA LEU 48 OK 100 100 100 100 3.3-3.8 1616/1615=89...(17) H SER 51 + HA LEU 49 OK 57 57 100 100 3.7-4.5 6610/2.9=92, ~6619=58...(16) H SER 94 - HA LEU 98 far 0 92 0 - 8.4-9.4 H VAL 57 - HA LEU 49 far 0 40 0 - 9.0-10.8 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 17 assignments used, quality = 0.96: * HB2 SER 51 + HA LEU 48 OK 95 100 95 100 2.9-5.1 1615=100, 1.8/1621=82...(6) HB3 SER 107 + HA GLN 104 OK 22 69 90 35 2.4-5.4 11853/1581=12...(6) HB2 SER 51 - HA LEU 49 far 6 57 10 - 4.8-6.3 HB2 SER 107 - HA GLN 104 lone 4 55 45 15 2.7-6.5 ~7481=7, 3.0/10857=6, 10858=2 HB2 SER 106 - HA GLN 104 far 0 55 0 - 5.2-8.2 HA LEU 100 - HA GLN 104 far 0 60 0 - 5.3-7.6 HA THR 65 - HA LEU 49 far 0 29 0 - 5.3-7.1 HA LEU 100 - HA LEU 98 far 0 69 0 - 6.5-7.3 HB3 SER 94 - HA LEU 98 far 0 50 0 - 7.0-9.1 HA THR 65 - HA LEU 48 far 0 63 0 - 7.3-9.1 HA2 GLY 111 - HA GLN 104 far 0 78 0 - 7.4-13.6 HA GLN 127 - HA LEU 49 far 0 32 0 - 7.8-9.9 HA3 GLY 111 - HA GLN 104 far 0 84 0 - 8.3-13.5 HB2 SER 106 - HA LEU 98 far 0 65 0 - 8.4-13.1 HA GLN 127 - HA LEU 48 far 0 68 0 - 8.8-10.4 HA ALA 41 - HA LEU 48 far 0 63 0 - 9.8-11.5 HA LEU 100 - HA LEU 49 far 0 38 0 - 10.0-12.3 Violated in 1 structures by 0.02 A. Peak 1493 from aliabs.peaks (3.98, 4.10, 58.01 ppm; 3.99 A): 2 out of 21 assignments used, quality = 1.00: * HB3 SER 51 + HA LEU 48 OK 100 100 100 100 2.9-4.3 1621=100, 1.8/1615=73...(8) HA SER 50 + HA LEU 49 OK 39 48 85 95 4.8-4.9 4.8=56, ~6619=27...(18) HA SER 60 - HA GLN 104 poor 19 47 40 - 3.8-6.0 HB3 SER 107 - HA GLN 104 poor 17 60 90 31 2.4-5.4 11853/1581=9, 7481/3.0=7...(6) HB3 SER 106 - HA GLN 104 far 0 85 0 - 5.1-8.6 HB2 SER 106 - HA GLN 104 far 0 73 0 - 5.2-8.2 HA LEU 100 - HA GLN 104 far 0 69 0 - 5.3-7.6 HB3 SER 51 - HA LEU 49 far 0 57 0 - 5.3-6.5 HA THR 65 - HA LEU 49 far 0 52 0 - 5.3-7.1 HB3 SER 99 - HA LEU 98 far 0 82 0 - 5.6-6.7 HA SER 50 - HA LEU 48 far 0 92 0 - 6.4-6.7 HA LEU 100 - HA LEU 98 far 0 80 0 - 6.5-7.3 HB3 SER 94 - HA LEU 98 far 0 91 0 - 7.0-9.1 HA THR 65 - HA LEU 48 far 0 97 0 - 7.3-9.1 HB3 SER 106 - HA LEU 98 far 0 94 0 - 7.4-12.8 HA GLN 127 - HA LEU 49 far 0 50 0 - 7.8-9.9 HB2 SER 106 - HA LEU 98 far 0 83 0 - 8.4-13.1 HB3 SER 99 - HA GLN 104 far 0 71 0 - 8.7-11.3 HA GLN 127 - HA LEU 48 far 0 95 0 - 8.8-10.4 HA GLN 68 - HA LEU 49 far 0 40 0 - 9.9-12.2 HA LEU 100 - HA LEU 49 far 0 45 0 - 10.0-12.3 Violated in 1 structures by 0.00 A. Peak 1494 from aliabs.peaks (4.11, 1.78, 41.65 ppm; 4.10 A): 4 out of 11 assignments used, quality = 1.00: * HA CYS 45 + HB2 LEU 48 OK 100 100 100 100 2.5-4.3 1437=84, 1438/1.8=72...(12) HA LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.4-3.0 3.0=100 HA LEU 98 + HB3 LEU 98 OK 85 85 100 100 2.4-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 44 99 45 99 3.7-5.5 2.9/6598=60...(29) HA LEU 49 - HB3 LEU 122 far 0 64 0 - 5.5-10.5 HA ALA 52 - HB2 LEU 48 far 0 89 0 - 6.6-9.1 HA LEU 98 - HB3 LEU 122 far 0 63 0 - 7.1-10.8 HA GLN 101 - HB3 LEU 122 far 0 63 0 - 7.6-11.4 HA GLN 101 - HB3 LEU 98 far 0 85 0 - 7.7-8.7 HA ALA 52 - HB3 LEU 122 far 0 53 0 - 8.7-13.9 HA GLN 104 - HB3 LEU 122 far 0 38 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1495 from aliabs.peaks (8.05, 1.78, 41.65 ppm; 4.97 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.1-3.2 3.9=100 H CYS 125 + HB3 LEU 122 OK 64 64 100 100 5.4-5.8 7776/4.3=54...(18) H ALA 52 + HB2 LEU 48 OK 34 78 45 95 5.0-6.7 9227/3.1=37, 1483/3.0=29...(18) H ALA 52 - HB3 LEU 122 far 0 45 0 - 7.4-12.6 H CYS 125 - HB3 LEU 98 far 0 86 0 - 8.3-11.2 H LEU 48 - HB3 LEU 122 far 0 66 0 - 9.7-14.2 H SER 130 - HB2 LEU 48 far 0 95 0 - 9.9-12.0 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 2.4-3.0 3.0=100 HA CYS 45 + HB2 LEU 48 OK 93 93 100 100 2.5-4.3 1437=78, 1438/1.8=65...(12) HA LEU 98 + HB3 LEU 98 OK 87 87 100 100 2.4-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 44 99 45 99 3.7-5.5 2.9/6598=61...(29) HA LEU 49 - HB3 LEU 122 far 0 64 0 - 5.5-10.5 HA LEU 98 - HB3 LEU 122 far 0 64 0 - 7.1-10.8 HA GLN 101 - HB3 LEU 122 far 0 64 0 - 7.6-11.4 HA GLN 101 - HB3 LEU 98 far 0 87 0 - 7.7-8.7 HA GLN 104 - HB3 LEU 122 far 0 59 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1497 from aliabs.peaks (1.78, 1.78, 41.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + HB2 LEU 48 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 88 88 - 100 HB3 LEU 122 + HB3 LEU 122 OK 60 60 - 100 Peak 1498 from aliabs.peaks (1.89, 1.78, 41.65 ppm; 3.74 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 48 + HB2 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 123 - HB3 LEU 122 poor 11 57 20 - 4.3-6.7 HB3 LEU 49 - HB2 LEU 48 far 8 81 10 - 4.0-7.2 HB3 LEU 49 - HB3 LEU 122 far 2 46 5 - 3.5-9.6 HB3 LEU 119 - HB3 LEU 122 far 0 46 0 - 5.1-8.3 HB3 LEU 123 - HB2 LEU 48 far 0 93 0 - 8.4-12.6 HB2 GLU 40 - HB2 LEU 48 far 0 100 0 - 9.9-14.7 HB3 LEU 48 - HB3 LEU 122 far 0 66 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 1499 from aliabs.peaks (1.71, 1.78, 41.65 ppm; 4.74 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 98 + HB3 LEU 98 OK 88 88 100 100 2.3-3.0 3.0=100 HG LEU 98 - HB3 LEU 122 far 0 65 0 - 7.0-11.7 HB3 LEU 70 - HB3 LEU 122 far 0 66 0 - 8.4-11.1 HB2 LEU 43 - HB2 LEU 48 far 0 97 0 - 8.5-10.5 HB3 LEU 70 - HB3 LEU 98 far 0 89 0 - 9.1-11.6 HB2 LEU 70 - HB3 LEU 122 far 0 63 0 - 9.9-12.4 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 2.1-3.2 3.1=100 QD1 LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.1-3.1 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 80 80 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 63 66 100 96 2.5-4.1 11748/3.5=43...(26) QD1 LEU 49 + HB2 LEU 48 OK 49 89 60 93 2.8-6.8 4.7/6598=36...(18) QD1 LEU 62 - HB3 LEU 122 poor 18 51 35 - 4.2-7.7 QD2 LEU 69 - HB2 LEU 48 poor 15 60 25 - 4.3-6.9 QD2 LEU 123 - HB3 LEU 122 far 6 58 10 - 4.5-7.6 QD1 LEU 49 - HB3 LEU 122 far 3 53 5 - 3.9-7.9 QD2 LEU 123 - HB2 LEU 48 far 0 95 0 - 5.9-11.3 QG1 VAL 118 - HB3 LEU 98 far 0 88 0 - 6.0-7.8 QD2 LEU 69 - HB3 LEU 122 far 0 33 0 - 6.3-8.6 QG2 VAL 63 - HB3 LEU 122 far 0 55 0 - 6.4-7.9 QD2 LEU 98 - HB3 LEU 122 far 0 58 0 - 7.2-10.4 QD1 LEU 62 - HB2 LEU 48 far 0 87 0 - 7.5-12.1 QD2 LEU 48 - HB3 LEU 122 far 0 66 0 - 8.5-12.2 QD1 LEU 48 - HB3 LEU 122 far 0 57 0 - 8.6-13.0 QG2 VAL 63 - HB3 LEU 98 far 0 77 0 - 9.6-11.9 QG2 VAL 63 - HB2 LEU 48 far 0 92 0 - 9.8-13.2 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 2.1-3.1 3.1=100 QD2 LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.1-3.2 3.1=100 QD1 LEU 49 + HB2 LEU 48 OK 56 100 60 93 2.8-6.8 10966/10991=38...(18) QD2 LEU 98 + HB3 LEU 98 OK 52 52 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 51 54 100 94 2.5-4.1 11748/3.5=34...(25) QD1 LEU 62 - HB3 LEU 122 poor 20 65 30 - 4.2-7.7 QD2 LEU 123 - HB3 LEU 122 far 4 36 10 - 4.5-7.6 QD1 LEU 49 - HB3 LEU 122 far 3 66 5 - 3.9-7.9 QD1 LEU 123 - HB3 LEU 122 far 0 54 0 - 5.5-7.5 QD2 LEU 123 - HB2 LEU 48 far 0 65 0 - 5.9-11.3 QD1 LEU 119 - HB3 LEU 122 far 0 33 0 - 6.0-8.4 QG1 VAL 118 - HB3 LEU 98 far 0 75 0 - 6.0-7.8 QG2 VAL 63 - HB3 LEU 122 far 0 66 0 - 6.4-7.9 QD2 LEU 98 - HB3 LEU 122 far 0 36 0 - 7.2-10.4 QD1 LEU 62 - HB2 LEU 48 far 0 100 0 - 7.5-12.1 QD1 LEU 123 - HB2 LEU 48 far 0 90 0 - 7.7-10.6 QD2 LEU 48 - HB3 LEU 122 far 0 57 0 - 8.5-12.2 QD1 LEU 48 - HB3 LEU 122 far 0 66 0 - 8.6-13.0 QG2 VAL 63 - HB3 LEU 98 far 0 89 0 - 9.6-11.9 QG2 VAL 63 - HB2 LEU 48 far 0 100 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1502 from aliabs.peaks (8.30, 1.78, 41.65 ppm; 4.84 A): 5 out of 11 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 48 OK 100 100 100 100 2.1-3.9 4.6=100 H SER 99 + HB3 LEU 98 OK 84 84 100 100 2.1-3.7 4.6=100 H VAL 126 + HB3 LEU 122 OK 37 46 85 95 5.0-5.9 10405/1.8=44...(15) H SER 99 + HB3 LEU 122 OK 33 62 55 97 3.9-7.7 11382/3.1=33...(25) H LEU 96 + HB3 LEU 98 OK 27 57 50 96 5.2-7.0 3.6/2963=72, 3.7/9998=33...(10) H LEU 96 - HB3 LEU 122 far 0 39 0 - 5.8-8.9 H LEU 69 - HB2 LEU 48 far 0 100 0 - 6.9-10.6 H LEU 49 - HB3 LEU 122 far 0 66 0 - 7.0-11.8 H LEU 69 - HB3 LEU 122 far 0 66 0 - 8.8-11.2 H LEU 43 - HB2 LEU 48 far 0 95 0 - 8.8-10.6 H VAL 126 - HB3 LEU 98 far 0 65 0 - 8.9-11.3 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 2.4-5.6 1438=100, 1437/1.8=86...(16) HA LEU 49 + HB3 LEU 48 OK 99 99 100 100 3.7-5.4 ~6598=52, 2.9/6599=41...(30) HA LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.3-3.0 3.0=100 HA ALA 52 - HB3 LEU 48 far 0 89 0 - 7.0-9.1 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 2.0-3.5 3.9=100 H ALA 52 + HB3 LEU 48 OK 37 78 50 95 5.2-6.6 9227/3.1=38, 1483/3.0=30...(17) H SER 130 - HB3 LEU 48 far 0 95 0 - 9.8-13.2 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 2.3-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 99 99 100 100 3.7-5.4 ~6598=52, 2.9/6599=41...(30) HA CYS 45 + HB3 LEU 48 OK 93 93 100 100 2.4-5.6 1438=90, 1437/1.8=77...(16) 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 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 1507 from aliabs.peaks (1.89, 1.89, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 48 + HB3 LEU 48 OK 100 100 - 100 Peak 1508 from aliabs.peaks (1.71, 1.89, 41.65 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 43 - HB3 LEU 48 far 0 97 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 1509 from aliabs.peaks (0.90, 1.89, 41.65 ppm; 4.33 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.1-3.2 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 59 89 70 95 2.6-6.6 10966/9201=32, ~9205=27...(22) QD2 LEU 69 - HB3 LEU 48 poor 17 60 60 46 4.3-7.3 2.1/11049=17...(7) QD2 LEU 123 - HB3 LEU 48 far 0 95 0 - 6.1-11.0 QD1 LEU 62 - HB3 LEU 48 far 0 87 0 - 8.3-11.3 QD1 LEU 22 - HB3 LEU 48 far 0 99 0 - 9.9-33.9 QG2 VAL 63 - HB3 LEU 48 far 0 92 0 - 9.9-12.8 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 8 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.1-3.2 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 67 100 70 96 2.6-6.6 10966/9201=37, ~9205=27...(23) QD2 LEU 123 - HB3 LEU 48 far 0 65 0 - 6.1-11.0 QD1 LEU 123 - HB3 LEU 48 far 0 90 0 - 8.0-10.6 QD1 LEU 62 - HB3 LEU 48 far 0 100 0 - 8.3-11.3 QD1 LEU 22 - HB3 LEU 48 far 0 78 0 - 9.9-33.9 QG2 VAL 63 - HB3 LEU 48 far 0 100 0 - 9.9-12.8 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 3 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 48 OK 100 100 100 100 2.1-4.4 4.6=100 H LEU 69 - HB3 LEU 48 far 0 100 0 - 6.9-11.4 H LEU 43 - HB3 LEU 48 far 0 95 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 1512 from aliabs.peaks (8.05, 1.71, 26.79 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HG LEU 48 OK 100 100 100 100 3.7-4.6 6586=100, 6585/3.0=84...(21) H ALA 52 - HG LEU 48 far 0 78 0 - 5.7-6.8 H CYS 125 - HG LEU 98 far 0 96 0 - 8.1-11.6 Violated in 1 structures by 0.01 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 2.2-4.2 3.7=100 HA LEU 98 + HG LEU 98 OK 97 97 100 100 2.6-3.7 3.7=100 HA CYS 45 + HG LEU 48 OK 64 93 70 98 3.7-5.5 10886=47, 1438/3.0=46...(11) HA LEU 49 - HG LEU 48 far 0 99 0 - 5.1-6.3 HA GLN 101 - HG LEU 98 far 0 97 0 - 8.3-8.9 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 2.3-3.0 3.0=100 HB3 LEU 98 + HG LEU 98 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LEU 122 - HG LEU 98 far 0 93 0 - 7.0-11.7 HG LEU 100 - HG LEU 98 far 0 97 0 - 7.7-9.8 HB3 LEU 103 - HG LEU 98 far 0 89 0 - 7.9-12.9 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 2.4-3.0 3.0=100 HB3 LEU 49 - HG LEU 48 far 0 81 0 - 5.3-8.2 HB2 ARG 90 - HG LEU 98 far 0 81 0 - 9.4-13.5 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 10 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 - 5.2-7.5 QG1 VAL 118 - HG LEU 98 far 0 98 0 - 5.7-8.7 QD2 LEU 69 - HG LEU 48 far 0 60 0 - 5.9-8.6 QD2 LEU 123 - HG LEU 48 far 0 95 0 - 7.7-11.7 QD1 LEU 22 - HG LEU 48 far 0 99 0 - 8.3-34.4 QD1 LEU 62 - HG LEU 48 far 0 87 0 - 9.4-11.5 QD2 LEU 69 - HG LEU 98 far 0 56 0 - 9.5-12.4 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 9 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 - 5.2-7.5 QG1 VAL 118 - HG LEU 98 far 0 86 0 - 5.7-8.7 QD2 LEU 123 - HG LEU 48 far 0 65 0 - 7.7-11.7 QD1 LEU 22 - HG LEU 48 far 0 78 0 - 8.3-34.4 QD1 LEU 123 - HG LEU 48 far 0 90 0 - 9.1-11.7 QD1 LEU 62 - HG LEU 48 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 1519 from aliabs.peaks (8.30, 1.71, 26.79 ppm; 4.95 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 49 + HG LEU 48 OK 100 100 100 100 4.3-5.0 6600=100, 6589/6586=81...(38) H SER 99 + HG LEU 98 OK 95 95 100 100 1.9-4.7 3.8/3176=74, 3191/2.1=62...(16) H LEU 96 + HG LEU 98 OK 62 67 95 98 4.3-5.9 3.6/11468=73...(17) H VAL 126 - HG LEU 98 far 0 76 0 - 8.6-11.5 H LEU 69 - HG LEU 48 far 0 100 0 - 9.0-10.8 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 4.0-4.4 5.0=100 H ALA 52 + QD2 LEU 48 OK 76 78 100 97 3.4-4.2 4.6/10961=60...(11) H LEU 48 + QD1 LEU 48 OK 66 66 100 100 1.9-4.2 4.8=100 H ALA 52 - QD1 LEU 48 poor 9 45 20 - 4.1-6.6 H CYS 125 - QD2 LEU 98 far 0 73 0 - 7.2-9.6 H SER 130 - QD1 LEU 48 far 0 58 0 - 8.4-11.8 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 1.9-3.2 3.8=85, 1615/10961=34...(25) HA LEU 49 + QD2 LEU 48 OK 98 99 100 98 2.3-4.0 2.9/1527=37, 1542=30...(31) HA LEU 98 + QD2 LEU 98 OK 73 73 100 99 1.9-4.1 4.0=75, 3153/2.1=34...(17) HA LEU 48 + QD1 LEU 48 OK 65 66 100 99 3.4-3.8 4.0=71, ~6586=30...(22) HA CYS 45 + QD1 LEU 48 OK 54 57 100 96 1.8-3.8 9164=45, 1438/3.1=39...(12) HA LEU 49 - QD1 LEU 48 far 10 64 15 - 2.3-5.8 HA CYS 45 - QD2 LEU 48 far 9 93 10 - 4.4-5.4 HA GLN 101 - QD2 LEU 98 far 0 73 0 - 6.3-8.9 Violated in 0 structures by 0.00 A. Peak 1522 from aliabs.peaks (1.78, 0.90, 23.93 ppm; 4.10 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 98 + QD2 LEU 98 OK 75 75 100 100 2.0-3.2 3.1=100 HB2 LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.1-3.1 3.1=100 HB3 LEU 122 - QD2 LEU 98 far 0 69 0 - 7.2-10.4 HG LEU 100 - QD2 LEU 98 far 0 73 0 - 7.7-9.6 HG LEU 100 - QD1 LEU 48 far 0 64 0 - 7.9-11.4 HB3 LEU 122 - QD2 LEU 48 far 0 97 0 - 8.5-12.2 HB3 LEU 103 - QD2 LEU 98 far 0 65 0 - 8.5-11.7 HB3 LEU 122 - QD1 LEU 48 far 0 60 0 - 8.6-13.0 HG LEU 100 - QD2 LEU 48 far 0 99 0 - 9.7-11.4 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 2.1-3.2 3.1=100 HB3 LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.1-3.2 3.1=100 HB3 LEU 49 - QD2 LEU 48 far 8 81 10 - 3.4-6.0 HB3 LEU 49 - QD1 LEU 48 far 7 46 15 - 2.3-7.4 HB3 LYS 36 - QD1 LEU 48 far 0 61 0 - 8.1-15.5 HB3 LEU 123 - QD2 LEU 48 far 0 93 0 - 8.2-10.6 HB2 ARG 90 - QD2 LEU 98 far 0 57 0 - 8.3-10.8 HB3 LEU 123 - QD1 LEU 48 far 0 57 0 - 8.7-12.1 HB2 GLU 40 - QD1 LEU 48 far 0 65 0 - 9.1-11.7 HB3 LEU 119 - QD2 LEU 48 far 0 81 0 - 9.8-12.4 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 43 - QD1 LEU 48 far 0 61 0 - 7.3-9.8 HB3 LEU 70 - QD2 LEU 98 far 0 75 0 - 7.4-10.8 HB2 LEU 70 - QD2 LEU 98 far 0 72 0 - 8.4-11.3 HG3 ARG 90 - QD2 LEU 98 far 0 48 0 - 9.2-11.5 HB3 LEU 70 - QD1 LEU 48 far 0 66 0 - 9.2-12.9 HB2 LEU 43 - QD2 LEU 48 far 0 97 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1525 from aliabs.peaks (0.90, 0.90, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 48 + QD2 LEU 48 OK 100 100 - 100 QD2 LEU 98 + QD2 LEU 98 OK 67 67 - 100 QD1 LEU 48 + QD1 LEU 48 OK 57 57 - 100 Peak 1526 from aliabs.peaks (0.91, 0.90, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 48 + QD2 LEU 48 OK 93 93 - 100 QD1 LEU 48 + QD1 LEU 48 OK 66 66 - 100 QD2 LEU 98 + QD2 LEU 98 OK 42 42 - 100 Reference assignment not found: QD1 LEU 48 - QD2 LEU 48 Peak 1527 from aliabs.peaks (8.30, 0.90, 23.93 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 48 OK 100 100 100 100 3.2-4.0 6600/2.1=77, 6598/3.1=76...(33) H SER 99 + QD2 LEU 98 OK 71 71 100 100 3.7-4.7 3166/3.1=58, 7375/4.8=57...(18) H LEU 49 + QD1 LEU 48 OK 66 66 100 100 2.0-4.8 6600/2.1=77, 6598/3.1=76...(44) H LEU 96 + QD2 LEU 98 OK 42 46 100 92 4.5-5.4 3.6/11470=46...(20) H LEU 69 - QD1 LEU 48 far 0 66 0 - 6.0-7.7 H LEU 69 - QD2 LEU 48 far 0 100 0 - 7.4-9.4 H LEU 43 - QD1 LEU 48 far 0 58 0 - 7.5-9.9 H VAL 126 - QD2 LEU 98 far 0 54 0 - 8.0-9.9 H TYR 72 - QD1 LEU 48 far 0 46 0 - 8.5-10.7 H VAL 126 - QD1 LEU 48 far 0 46 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 1528 from aliabs.peaks (8.05, 0.91, 24.15 ppm; 3.84 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 48 + QD1 LEU 48 OK 100 100 100 100 1.9-4.2 6586/2.1=75, 6585/3.1=66...(26) H LEU 48 + QD2 LEU 48 OK 66 66 100 100 4.0-4.4 6586/2.1=75, 6585/3.1=66...(25) H ALA 52 + QD2 LEU 48 OK 37 45 100 83 3.4-4.2 2.9/9231=41...(10) H CYS 125 + QD1 LEU 123 OK 34 50 70 97 4.3-5.2 3.4/7767=38...(13) H ALA 52 - QD1 LEU 48 far 4 78 5 - 4.1-6.6 H ALA 52 - QD1 LEU 123 far 0 34 0 - 5.4-7.5 H SER 130 - QD1 LEU 123 far 0 45 0 - 7.0-8.6 H LEU 48 - QD1 LEU 123 far 0 52 0 - 7.1-9.4 H SER 130 - QD1 LEU 48 far 0 95 0 - 8.4-11.8 Violated in 0 structures by 0.00 A. Peak 1529 from aliabs.peaks (4.10, 0.91, 24.15 ppm; 2.77 A): 4 out of 10 assignments used, quality = 0.94: HA CYS 45 + QD1 LEU 48 OK 70 93 95 79 1.8-3.8 9164=25, 1438/3.1=21...(11) HA LEU 48 + QD2 LEU 48 OK 61 66 100 92 1.9-3.2 3.8=39, 1615/10961=16...(23) HA LEU 49 + QD2 LEU 48 OK 37 64 70 83 2.3-4.0 1542=16, 2.9/1527=14...(28) * HA LEU 48 + QD1 LEU 48 OK 23 100 25 90 3.4-3.8 4.0=32, 2.9/1528=19...(20) HA LEU 49 - QD1 LEU 48 far 15 99 15 - 2.3-5.8 HA CYS 45 - QD2 LEU 48 far 0 57 0 - 4.4-5.4 HA LEU 49 - QD1 LEU 123 far 0 50 0 - 5.5-8.1 HA LEU 48 - QD1 LEU 123 far 0 52 0 - 7.2-9.6 HA3 GLY 114 - QD1 LEU 123 far 0 33 0 - 9.1-14.5 HA CYS 45 - QD1 LEU 123 far 0 44 0 - 9.4-11.3 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 9 assignments used, quality = 1.00: * HB2 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.1-3.1 3.1=100 HB2 LEU 48 + QD2 LEU 48 OK 66 66 100 100 2.1-3.2 3.1=97, 1.8/1531=22...(22) HB3 LEU 122 - QD1 LEU 123 far 0 47 0 - 5.5-7.5 HB2 LEU 48 - QD1 LEU 123 far 0 52 0 - 7.7-10.6 HG LEU 100 - QD1 LEU 123 far 0 51 0 - 7.7-11.0 HG LEU 100 - QD1 LEU 48 far 0 99 0 - 7.9-11.4 HB3 LEU 122 - QD2 LEU 48 far 0 60 0 - 8.5-12.2 HB3 LEU 122 - QD1 LEU 48 far 0 97 0 - 8.6-13.0 HG LEU 100 - QD2 LEU 48 far 0 64 0 - 9.7-11.4 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 13 assignments used, quality = 1.00: * HB3 LEU 48 + QD1 LEU 48 OK 98 100 100 98 2.1-3.2 3.1=91, 6585/4.8=22...(21) HB3 LEU 48 + QD2 LEU 48 OK 64 66 100 97 2.1-3.2 3.1=88, 1.8/1530=26...(20) HB3 LEU 123 + QD1 LEU 123 OK 44 44 100 99 2.4-3.2 3.2=83, 3947/2.1=49...(13) HB3 LEU 49 - QD1 LEU 48 far 8 81 10 - 2.3-7.4 HB3 LEU 49 - QD2 LEU 48 far 5 46 10 - 3.4-6.0 HB3 LEU 49 - QD1 LEU 123 far 0 36 0 - 4.1-8.6 HB3 LEU 119 - QD1 LEU 123 far 0 36 0 - 6.2-8.5 HB3 LEU 48 - QD1 LEU 123 far 0 52 0 - 8.0-10.6 HB3 LYS 36 - QD1 LEU 48 far 0 97 0 - 8.1-15.5 HB3 LEU 123 - QD2 LEU 48 far 0 57 0 - 8.2-10.6 HB3 LEU 123 - QD1 LEU 48 far 0 93 0 - 8.7-12.1 HB2 GLU 40 - QD1 LEU 48 far 0 100 0 - 9.1-11.7 HB3 LEU 119 - QD2 LEU 48 far 0 46 0 - 9.8-12.4 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 - QD1 LEU 48 far 0 97 0 - 7.3-9.8 HG LEU 48 - QD1 LEU 123 far 0 52 0 - 9.1-11.7 HB3 LEU 70 - QD1 LEU 48 far 0 100 0 - 9.2-12.9 HB2 LEU 43 - QD2 LEU 48 far 0 61 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1533 from aliabs.peaks (0.90, 0.91, 24.15 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 48 + QD1 LEU 48 OK 93 93 - 100 QD2 LEU 48 + QD2 LEU 48 OK 66 66 - 100 Reference assignment not found: QD2 LEU 48 - QD1 LEU 48 Peak 1534 from aliabs.peaks (0.91, 0.91, 24.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 48 + QD1 LEU 48 OK 100 100 - 100 QD2 LEU 48 + QD2 LEU 48 OK 57 57 - 100 QD1 LEU 123 + QD1 LEU 123 OK 42 42 - 100 Peak 1535 from aliabs.peaks (8.30, 0.91, 24.15 ppm; 4.05 A): 2 out of 13 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 48 OK 100 100 100 100 2.0-4.8 6598/3.1=57, 6600/2.1=54...(43) H LEU 49 + QD2 LEU 48 OK 66 66 100 99 3.2-4.0 6598/3.1=56, 6600/2.1=54...(33) H VAL 126 - QD1 LEU 123 poor 15 36 70 62 4.3-5.8 3916/4.0=30...(7) H LEU 49 - QD1 LEU 123 far 0 52 0 - 5.8-8.6 H LEU 69 - QD1 LEU 48 far 0 100 0 - 6.0-7.7 H LEU 69 - QD2 LEU 48 far 0 66 0 - 7.4-9.4 H LEU 43 - QD1 LEU 48 far 0 95 0 - 7.5-9.9 H ASP 131 - QD1 LEU 123 far 0 26 0 - 7.9-9.4 H TYR 72 - QD1 LEU 48 far 0 81 0 - 8.5-10.7 H VAL 126 - QD1 LEU 48 far 0 81 0 - 8.8-12.1 H LEU 96 - QD1 LEU 123 far 0 30 0 - 9.2-10.6 H SER 99 - QD1 LEU 123 far 0 49 0 - 9.7-11.3 H LEU 69 - QD1 LEU 123 far 0 52 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1536 from aliabs.peaks (8.30, 4.11, 57.64 ppm; 4.44 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 H SER 99 + HA LEU 98 OK 81 81 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 48 OK 57 57 100 100 3.4-3.6 3.6=100 H LEU 96 - HA LEU 98 far 0 54 0 - 6.7-7.3 H LEU 69 - HA LEU 49 far 0 100 0 - 7.4-9.4 H VAL 126 - HA LEU 49 far 0 81 0 - 7.9-10.0 H LEU 69 - HA LEU 48 far 0 57 0 - 9.5-11.8 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): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 49 + HA LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 52 + HA LEU 49 OK 85 89 100 96 2.1-3.4 1631=47, 9247/2.9=42...(16) QB ALA 52 - HA LEU 48 poor 18 45 40 - 4.6-5.3 HB2 LEU 53 - HA LEU 49 far 0 71 0 - 5.0-7.6 HB2 LEU 49 - HA LEU 48 far 0 57 0 - 5.5-6.6 HG LEU 69 - HA LEU 49 far 0 85 0 - 7.0-10.3 HG LEU 69 - HA LEU 48 far 0 42 0 - 8.7-11.2 HB2 LEU 53 - HA LEU 48 far 0 34 0 - 9.2-10.6 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 9 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LEU 48 + HA LEU 48 OK 40 40 100 100 2.3-3.0 3.0=100 HG LEU 53 + HA LEU 49 OK 39 81 50 96 2.8-7.0 2.1/1541=35, 5.3/6656=18...(24) HB3 LEU 48 + HA LEU 49 OK 36 81 45 99 3.7-5.4 ~6598=42, 6605/2.9=28...(30) HB3 LEU 49 - HA LEU 48 far 0 57 0 - 5.9-6.6 HB3 LYS 95 - HA LEU 98 far 0 54 0 - 7.1-7.9 HG LEU 53 - HA LEU 48 far 0 40 0 - 7.3-10.8 HB2 LYS 95 - HA LEU 98 far 0 60 0 - 7.8-8.4 HB2 MET 11 - HA LEU 98 far 0 85 0 - 9.0-55.3 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 7 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 100 100 2.2-3.7 3.7=100 HG LEU 123 - HA LEU 49 far 5 99 5 - 5.1-9.8 HG LEU 49 - HA LEU 48 far 3 57 5 - 5.0-7.2 HB2 LEU 119 - HA LEU 49 far 0 65 0 - 6.6-9.9 HG LEU 103 - HA LEU 98 far 0 76 0 - 7.3-11.4 HB2 LEU 103 - HA LEU 98 far 0 84 0 - 7.7-9.4 HG LEU 123 - HA LEU 48 far 0 56 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. Peak 1541 from aliabs.peaks (0.80, 4.11, 57.64 ppm; 3.74 A): 2 out of 20 assignments used, quality = 1.00: * QD2 LEU 49 + HA LEU 49 OK 100 100 100 100 2.4-4.0 1573=92, 2.1/1581=50...(16) QD1 LEU 53 + HA LEU 49 OK 74 100 80 93 3.0-6.2 9218/4.8=32, 6621/3.6=24...(22) QD1 LEU 122 - HA LEU 49 far 0 98 0 - 4.7-7.4 QD2 LEU 122 - HA LEU 49 far 0 97 0 - 5.4-8.9 QD1 LEU 70 - HA LEU 98 far 0 73 0 - 5.6-7.5 QD2 LEU 122 - HA LEU 98 far 0 79 0 - 5.8-8.6 QD2 LEU 49 - HA LEU 48 far 0 57 0 - 5.8-7.0 QD1 LEU 122 - HA LEU 98 far 0 81 0 - 6.2-9.3 QD1 LEU 96 - HA LEU 98 far 0 56 0 - 6.3-7.4 QD1 LEU 53 - HA LEU 48 far 0 57 0 - 6.5-8.8 QD1 LEU 96 - HA LEU 49 far 0 73 0 - 6.6-8.6 QD2 LEU 119 - HA LEU 49 far 0 99 0 - 6.7-9.2 QD1 LEU 103 - HA LEU 98 far 0 72 0 - 6.8-9.1 QG1 VAL 63 - HA LEU 98 far 0 73 0 - 7.8-10.8 QD1 LEU 103 - HA LEU 49 far 0 90 0 - 8.0-10.3 QD1 LEU 122 - HA LEU 48 far 0 54 0 - 8.4-11.3 QD2 LEU 122 - HA LEU 48 far 0 52 0 - 8.8-12.6 QG1 VAL 63 - HA LEU 49 far 0 92 0 - 8.9-9.9 QD1 LEU 96 - HA LEU 48 far 0 35 0 - 9.3-11.1 QD2 LEU 49 - HA LEU 98 far 0 85 0 - 9.6-11.8 Violated in 1 structures by 0.00 A. Peak 1542 from aliabs.peaks (0.91, 4.11, 57.64 ppm; 3.42 A): 4 out of 17 assignments used, quality = 1.00: * QD1 LEU 49 + HA LEU 49 OK 98 100 100 98 2.0-4.0 1581=62, 2.1/1573=56...(19) QD2 LEU 48 + HA LEU 49 OK 86 89 100 97 2.3-4.0 1521=30, 1527/2.9=27...(31) QD1 LEU 48 + HA LEU 48 OK 56 57 100 99 3.4-3.8 4.0=61, 1528/2.9=30...(20) QD2 LEU 48 + HA LEU 48 OK 45 45 100 99 1.9-3.2 3.8=72, 2.1/1529=27...(25) QD1 LEU 48 - HA LEU 49 far 15 100 15 - 2.3-5.8 QD1 LEU 49 - HA LEU 48 far 0 57 0 - 4.5-6.2 QD1 LEU 62 - HA LEU 49 far 0 100 0 - 4.7-7.7 QD1 LEU 123 - HA LEU 49 far 0 95 0 - 5.5-8.1 QG1 VAL 57 - HA LEU 49 far 0 57 0 - 6.2-7.4 QG1 VAL 118 - HA LEU 98 far 0 66 0 - 6.4-7.0 QD1 LEU 123 - HA LEU 48 far 0 50 0 - 7.2-9.6 QD1 LEU 119 - HA LEU 49 far 0 68 0 - 7.4-10.6 QG1 VAL 57 - HA LEU 48 far 0 26 0 - 7.6-9.0 QG1 VAL 118 - HA LEU 49 far 0 85 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 100 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 85 0 - 8.5-10.4 QD1 LEU 62 - HA LEU 48 far 0 57 0 - 8.5-11.2 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 2.9-3.6 6645/3.6=91, ~9247=74...(30) H LEU 48 + HA LEU 49 OK 78 78 100 99 5.1-5.6 6589/2.9=68, 6590/3.6=65...(13) H ALA 52 + HA LEU 48 OK 57 57 100 100 4.2-5.0 1620/1615=96...(14) H LEU 48 + HA LEU 48 OK 38 38 100 100 2.7-2.8 2.9=100 H VAL 57 - HA LEU 49 far 0 85 0 - 9.0-10.8 H CYS 125 - HA LEU 49 far 0 92 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 1545 from aliabs.peaks (1.48, 4.11, 57.64 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * QB ALA 52 + HA LEU 49 OK 97 100 100 97 2.1-3.4 1631=57, 9247/2.9=51...(16) HB2 LEU 49 + HA LEU 49 OK 89 89 100 100 2.4-3.0 3.0=100 QB ALA 52 - HA LEU 48 poor 20 57 40 85 4.6-5.3 9247/3.6=45, 9231/3.8=34...(11) HB2 LEU 49 - HA LEU 48 far 0 45 0 - 5.5-6.6 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 100 100 100 100 2.3-5.6 10899=85, 10898/3.2=77...(18) HB3 SER 50 + HB2 LEU 49 OK 80 95 85 99 4.3-6.1 11338=84, 3.9/6618=48...(26) HA LEU 70 - HB2 LEU 49 far 0 97 0 - 9.4-12.0 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 5 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.2-3.6 3.9=100 H VAL 126 - HB2 LEU 49 far 4 81 5 - 5.4-8.1 H LEU 69 - HB2 LEU 49 far 0 100 0 - 6.2-8.7 H ASP 131 - HB2 LEU 49 far 0 63 0 - 9.3-13.1 H LEU 43 - HB2 LEU 49 far 0 95 0 - 9.4-12.5 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 2.4-3.0 3.0=100 HA CYS 45 - HB2 LEU 49 far 10 99 10 - 5.0-8.2 HA LEU 48 - HB2 LEU 49 far 0 99 0 - 5.5-6.6 HA ALA 52 - HB2 LEU 49 far 0 73 0 - 6.8-8.5 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 HG LEU 53 + HB2 LEU 49 OK 43 81 55 98 3.0-7.3 2.1/1552=38, ~1674=26...(26) HB3 LEU 48 + HB2 LEU 49 OK 40 81 50 99 4.0-6.7 4.6/6604=37, 3.9/9198=33...(45) Violated in 0 structures by 0.00 A. Peak 1551 from aliabs.peaks (1.57, 1.50, 41.17 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 123 + HB2 LEU 49 OK 24 99 30 81 4.3-9.0 2.1/1553=19, 1560/1.8=13...(25) HB2 LEU 119 - HB2 LEU 49 far 0 65 0 - 7.0-10.9 HG LEU 103 - HB2 LEU 49 far 0 95 0 - 9.3-13.8 HB2 LEU 103 - HB2 LEU 49 far 0 100 0 - 9.4-13.8 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 10 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.0-3.1 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 81 100 85 95 2.2-6.5 1674/1.8=31, 1541/3.0=25...(32) QD2 LEU 122 - HB2 LEU 49 far 14 97 15 - 3.7-8.2 QD1 LEU 122 - HB2 LEU 49 poor 10 98 40 26 3.5-7.4 1561/1.8=10, ~3872=2...(9) QD1 LEU 96 - HB2 LEU 49 far 0 73 0 - 5.0-7.0 QD2 LEU 119 - HB2 LEU 49 far 0 99 0 - 7.0-10.1 QD1 LEU 103 - HB2 LEU 49 far 0 90 0 - 7.3-11.0 QG1 VAL 63 - HB2 LEU 49 far 0 92 0 - 7.7-10.6 QG2 ILE 129 - HB2 LEU 49 far 0 65 0 - 7.9-9.9 QD1 LEU 70 - HB2 LEU 49 far 0 92 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 1553 from aliabs.peaks (0.91, 1.50, 41.17 ppm; 4.07 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 123 + HB2 LEU 49 OK 34 95 50 71 3.9-7.7 11339/11338=18...(22) QD2 LEU 48 + HB2 LEU 49 OK 22 89 25 98 4.3-5.9 9205/3.0=32, 1527/3.9=30...(47) QD1 LEU 48 - HB2 LEU 49 far 15 100 15 - 3.0-6.9 QD1 LEU 62 - HB2 LEU 49 far 0 100 0 - 5.1-9.2 QG2 VAL 63 - HB2 LEU 49 far 0 100 0 - 7.3-10.2 QG1 VAL 57 - HB2 LEU 49 far 0 57 0 - 7.8-9.8 QG1 VAL 118 - HB2 LEU 49 far 0 85 0 - 7.8-10.3 QD1 LEU 119 - HB2 LEU 49 far 0 68 0 - 8.0-11.6 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 3 assignments used, quality = 1.00: * HA ALA 46 + HB3 LEU 49 OK 100 100 100 100 3.3-5.8 10899/1.8=97...(16) HB3 SER 50 + HB3 LEU 49 OK 94 95 100 100 4.7-6.4 11338/1.8=91...(26) HA LEU 70 - HB3 LEU 49 far 0 97 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 1556 from aliabs.peaks (8.30, 1.91, 41.17 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.7-3.6 3.9=100 H VAL 126 - HB3 LEU 49 far 4 81 5 - 5.5-9.1 H LEU 69 - HB3 LEU 49 far 0 100 0 - 5.9-8.8 H TYR 72 - HB3 LEU 49 far 0 81 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 1557 from aliabs.peaks (4.11, 1.91, 41.17 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.3-2.7 3.0=100 HA CYS 45 - HB3 LEU 49 far 10 99 10 - 4.5-8.4 HA LEU 48 - HB3 LEU 49 far 0 99 0 - 5.9-6.6 HA ALA 52 - HB3 LEU 49 far 0 73 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 1558 from aliabs.peaks (1.50, 1.91, 41.17 ppm; 4.78 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 52 + HB3 LEU 49 OK 87 89 100 98 3.6-5.2 9247/3.9=49, 1631/3.0=40...(20) HB2 LEU 53 + HB3 LEU 49 OK 28 71 40 98 4.1-7.9 3.1/1561=30, 1.8/1658=23...(31) HG LEU 69 - HB3 LEU 49 far 8 85 10 - 4.8-9.2 HG LEU 42 - HB3 LEU 49 far 0 97 0 - 8.6-12.1 Violated in 0 structures by 0.00 A. Peak 1559 from aliabs.peaks (1.91, 1.91, 41.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 49 + HB3 LEU 49 OK 100 100 - 100 Peak 1560 from aliabs.peaks (1.57, 1.91, 41.17 ppm; 4.43 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 123 - HB3 LEU 49 poor 18 99 25 72 3.9-10.0 1551/1.8=14, 2.1/1562=13...(23) HB2 LEU 119 - HB3 LEU 49 far 0 65 0 - 6.3-10.2 HB2 LEU 103 - HB3 LEU 49 far 0 100 0 - 9.1-13.1 HG LEU 103 - HB3 LEU 49 far 0 95 0 - 9.2-12.8 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 10 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.9-2.7 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 82 100 85 96 1.8-6.1 1552/1.8=33, 1541/3.0=27...(31) QD1 LEU 122 + HB3 LEU 49 OK 31 98 60 52 3.1-6.9 11110/10960=31...(10) QD2 LEU 122 - HB3 LEU 49 poor 19 97 20 - 3.7-8.0 QD1 LEU 96 - HB3 LEU 49 far 0 73 0 - 5.1-6.8 QD2 LEU 119 - HB3 LEU 49 far 0 99 0 - 6.5-9.6 QD1 LEU 103 - HB3 LEU 49 far 0 90 0 - 7.0-10.4 QG1 VAL 63 - HB3 LEU 49 far 0 92 0 - 8.0-9.6 QD1 LEU 70 - HB3 LEU 49 far 0 92 0 - 8.4-11.1 QG2 ILE 129 - HB3 LEU 49 far 0 65 0 - 8.4-10.0 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 2.1-3.2 3.2=100 QD1 LEU 123 - HB3 LEU 49 poor 17 95 30 62 4.1-8.6 1553/1.8=14, 2.1/1560=8...(20) QD1 LEU 48 - HB3 LEU 49 far 15 100 15 - 2.3-7.4 QD2 LEU 48 - HB3 LEU 49 far 9 89 10 - 3.4-6.0 QD1 LEU 62 - HB3 LEU 49 far 5 100 5 - 4.6-8.6 QG1 VAL 118 - HB3 LEU 49 far 0 85 0 - 6.7-10.0 QD1 LEU 119 - HB3 LEU 49 far 0 68 0 - 7.2-11.5 QG2 VAL 63 - HB3 LEU 49 far 0 100 0 - 7.4-9.1 QG1 VAL 57 - HB3 LEU 49 far 0 57 0 - 7.5-9.1 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 11 assignments used, quality = 1.00: * H LEU 49 + HG LEU 49 OK 100 100 100 100 1.8-4.3 6606=100, 11703/10992=59...(38) H ALA 21 - HG2 ARG 23 far 8 83 10 - 4.7-8.2 H LEU 69 - HG LEU 49 far 5 100 5 - 5.1-8.3 H VAL 126 - HG LEU 49 far 0 81 0 - 5.7-8.8 H VAL 126 - HG LEU 123 far 0 76 0 - 5.7-7.5 H ALA 110 - HG LEU 103 far 0 71 0 - 6.2-12.6 H LEU 49 - HG LEU 123 far 0 98 0 - 6.4-10.4 H SER 99 - HG LEU 103 far 0 79 0 - 6.7-9.9 H LEU 43 - HG LEU 49 far 0 95 0 - 9.4-12.2 H ASP 131 - HG LEU 49 far 0 63 0 - 9.6-13.1 H TYR 72 - HG LEU 49 far 0 81 0 - 9.6-12.1 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 13 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 100 100 2.2-3.7 3.7=100 HA GLN 104 + HG LEU 103 OK 64 64 100 99 3.6-5.1 ~7491=40, ~11827=39...(23) HA CYS 45 - HG LEU 49 poor 20 99 20 - 4.7-7.4 HA LEU 48 - HG LEU 49 poor 20 99 20 - 5.0-7.2 HA GLN 101 - HG LEU 103 far 12 83 15 - 3.5-7.9 HA LEU 49 - HG LEU 123 far 5 98 5 - 5.1-9.8 HA ILE 32 - HG2 ARG 23 far 0 91 0 - 6.4-22.3 HA ALA 52 - HG LEU 49 far 0 73 0 - 6.7-8.3 HA LEU 98 - HG LEU 103 far 0 83 0 - 7.3-11.4 HA ALA 52 - HG LEU 123 far 0 69 0 - 7.5-11.1 HA LEU 48 - HG LEU 123 far 0 96 0 - 8.4-12.3 HA3 GLY 114 - HG LEU 123 far 0 86 0 - 8.7-15.6 HA3 GLY 114 - HG LEU 103 far 0 70 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 1566 from aliabs.peaks (1.50, 1.57, 26.87 ppm; 4.74 A): 5 out of 11 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 52 + HG LEU 49 OK 84 89 100 95 3.7-5.5 9247/6606=39...(14) HB2 LEU 53 + HG LEU 123 OK 59 67 95 94 2.2-6.2 ~11422=50, ~11639=40...(13) HG LEU 69 + HG LEU 49 OK 29 85 35 98 4.6-7.5 ~11048=44, ~11061=38...(17) HB2 LEU 49 + HG LEU 123 OK 24 98 30 83 4.3-9.0 1551=19, 1553/2.1=19...(25) HB2 LEU 53 - HG LEU 49 far 7 71 10 - 5.4-10.1 QB ALA 52 - HG LEU 123 poor 6 84 30 24 5.1-9.1 ~9227=9, 10964/2.1=6...(6) HG LEU 42 - HG LEU 49 far 0 97 0 - 8.0-10.6 QB ALA 52 - HG LEU 103 far 0 68 0 - 8.1-10.4 HB2 LEU 53 - HG LEU 103 far 0 52 0 - 8.5-13.5 HB2 LEU 49 - HG LEU 103 far 0 83 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. Peak 1567 from aliabs.peaks (1.91, 1.57, 26.87 ppm; 4.08 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 48 + HG LEU 49 OK 60 81 80 93 2.9-8.2 3.1/9205=38, 4.6/6606=38...(18) HG LEU 53 + HG LEU 123 OK 37 76 55 89 2.0-6.8 ~11422=51, ~11639=39...(11) HG LEU 53 + HG LEU 49 OK 26 81 35 92 3.3-9.1 1575/2.1=19, ~1552=16...(26) HB3 LEU 49 - HG LEU 123 poor 20 98 20 - 3.9-10.0 HB2 GLU 30 - HG2 ARG 23 far 0 61 0 - 6.1-18.3 HG LEU 53 - HG LEU 103 far 0 60 0 - 7.7-15.3 HB2 PRO 113 - HG LEU 103 far 0 82 0 - 7.9-15.2 HG2 PRO 113 - HG LEU 103 far 0 68 0 - 9.1-16.4 HB3 LEU 49 - HG LEU 103 far 0 83 0 - 9.2-12.8 HB3 LEU 48 - HG LEU 123 far 0 76 0 - 9.3-14.0 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): 3 out of 29 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 QD1 LEU 53 + HG LEU 123 OK 61 97 75 83 2.0-4.6 11422/2.1=55...(13) QD2 LEU 119 - HG LEU 103 poor 16 80 20 - 2.7-7.8 QD1 LEU 53 - HG LEU 49 far 15 100 15 - 1.8-7.5 QD1 LEU 122 - HG LEU 49 far 5 98 5 - 3.7-6.9 QD2 LEU 122 - HG LEU 103 far 4 77 5 - 2.8-7.7 QG1 VAL 63 - HG LEU 103 far 4 71 5 - 3.8-5.8 QD1 LEU 122 - HG LEU 103 far 0 79 0 - 3.9-7.4 QD2 LEU 122 - HG LEU 49 far 0 97 0 - 4.4-8.3 QD1 LEU 122 - HG LEU 123 far 0 95 0 - 4.6-8.0 QD1 LEU 96 - HG LEU 49 far 0 73 0 - 4.9-7.2 QD2 LEU 122 - HG LEU 123 far 0 93 0 - 5.1-8.5 QD2 LEU 49 - HG LEU 123 far 0 98 0 - 5.3-8.1 QD1 ILE 32 - HG2 ARG 23 far 0 49 0 - 6.0-17.9 QD2 LEU 119 - HG LEU 123 far 0 96 0 - 6.3-8.8 QD2 LEU 49 - HG LEU 103 far 0 83 0 - 6.5-9.4 QD1 LEU 96 - HG LEU 103 far 0 54 0 - 6.6-9.5 QD1 LEU 53 - HG LEU 103 far 0 82 0 - 6.7-12.7 QD2 LEU 119 - HG LEU 49 far 0 99 0 - 6.9-10.5 QD1 LEU 96 - HG LEU 123 far 0 69 0 - 7.1-9.4 QD1 LEU 70 - HG LEU 103 far 0 71 0 - 7.3-12.5 QD1 LEU 103 - HG LEU 123 far 0 86 0 - 7.4-11.8 QG1 VAL 63 - HG LEU 49 far 0 92 0 - 7.6-10.2 QD1 LEU 103 - HG LEU 49 far 0 90 0 - 7.8-10.9 QG2 ILE 129 - HG LEU 49 far 0 65 0 - 8.0-9.6 QD1 LEU 70 - HG LEU 49 far 0 92 0 - 8.6-11.0 QG1 VAL 63 - HG2 ARG 23 far 0 79 0 - 9.1-30.6 QD1 ILE 32 - HG LEU 49 far 0 60 0 - 9.8-23.1 Violated in 0 structures by 0.00 A. Peak 1570 from aliabs.peaks (0.91, 1.57, 26.87 ppm; 3.29 A): 5 out of 29 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 97 1.9-4.0 11822/2.1=29, 1584=27...(31) QG1 VAL 118 + HG LEU 103 OK 64 64 100 99 2.1-4.2 ~10265=36, 10261=33...(25) QG2 VAL 20 + HG2 ARG 23 OK 23 71 50 64 2.8-6.6 6201/6205=14...(15) QD2 LEU 48 - HG LEU 49 far 13 89 15 - 4.0-5.5 QD1 LEU 22 - HG2 ARG 23 far 6 58 10 - 3.3-8.4 QD1 LEU 48 - HG LEU 49 far 5 100 5 - 4.0-6.0 QD1 LEU 49 - HG LEU 123 far 5 98 5 - 4.1-8.8 QD1 LEU 123 - HG LEU 49 far 5 95 5 - 4.1-8.0 QD1 LEU 62 - HG LEU 103 far 4 83 5 - 2.8-6.1 QG1 VAL 20 - HG2 ARG 23 far 0 90 0 - 4.2-8.3 QD1 LEU 119 - HG LEU 103 far 0 50 0 - 5.0-7.8 QD1 LEU 62 - HG LEU 123 far 0 98 0 - 5.4-9.9 QD1 LEU 62 - HG LEU 49 far 0 100 0 - 5.5-8.7 QD1 LEU 49 - HG LEU 103 far 0 83 0 - 6.5-11.4 QD1 LEU 119 - HG LEU 123 far 0 64 0 - 7.1-8.9 QG2 VAL 63 - HG LEU 49 far 0 100 0 - 7.3-10.3 QG1 VAL 118 - HG LEU 49 far 0 85 0 - 7.3-10.4 QG2 VAL 112 - HG LEU 103 far 0 77 0 - 7.4-11.0 QD2 LEU 48 - HG LEU 123 far 0 84 0 - 7.8-11.3 QG1 VAL 118 - HG LEU 123 far 0 80 0 - 7.8-8.9 QG1 VAL 57 - HG LEU 49 far 0 57 0 - 7.9-9.7 QD1 LEU 119 - HG LEU 49 far 0 68 0 - 8.2-11.4 QD1 LEU 48 - HG LEU 123 far 0 98 0 - 8.8-12.6 QG1 VAL 57 - HG LEU 103 far 0 41 0 - 8.9-11.5 QG1 VAL 57 - HG LEU 123 far 0 54 0 - 9.1-12.4 QD1 LEU 123 - HG LEU 103 far 0 74 0 - 9.5-13.3 QD1 LEU 48 - HG2 ARG 23 far 0 90 0 - 9.8-30.3 Violated in 0 structures by 0.00 A. Peak 1572 from aliabs.peaks (8.30, 0.80, 26.84 ppm; 4.11 A): 3 out of 11 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.9-4.3 2.9/1573=66, 6606/2.1=64...(31) H LEU 69 + QD2 LEU 49 OK 82 100 85 96 3.8-5.5 11056=39, 3.6/11700=30...(18) H VAL 126 + QD2 LEU 49 OK 45 81 65 86 4.0-6.3 4.0/11676=54...(12) H TYR 72 - QD2 LEU 49 far 0 81 0 - 7.2-9.4 H LEU 96 - QD2 LEU 49 far 0 71 0 - 7.2-9.8 H SER 99 - QD2 LEU 49 far 0 98 0 - 7.8-9.5 H LEU 43 - QD2 LEU 49 far 0 95 0 - 7.8-10.7 H ASP 131 - QD2 LEU 49 far 0 63 0 - 8.1-11.2 H LEU 43 - HG13 ILE 80 far 0 54 0 - 8.6-11.7 H ASP 131 - HG13 ILE 80 far 0 31 0 - 9.4-11.3 H GLU 40 - HG13 ILE 80 far 0 54 0 - 9.5-12.3 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 2.4-4.0 3.9=83, 1581/2.1=49...(16) HA ILE 80 + HG13 ILE 80 OK 48 49 100 100 2.6-3.4 4.1=75, 2472/2.1=53...(20) HA CYS 45 - QD2 LEU 49 far 10 99 10 - 4.2-6.8 HA CYS 79 - HG13 ILE 80 far 0 61 0 - 5.3-7.6 HA PHE 89 - HG13 ILE 80 far 0 41 0 - 5.7-7.5 HA LEU 48 - QD2 LEU 49 far 0 99 0 - 5.8-7.0 HA ALA 52 - QD2 LEU 49 far 0 73 0 - 6.5-8.2 HA GLN 104 - QD2 LEU 49 far 0 85 0 - 8.4-12.1 HA GLN 101 - QD2 LEU 49 far 0 100 0 - 8.4-11.1 HA3 GLY 114 - QD2 LEU 49 far 0 90 0 - 9.1-17.3 HA LEU 98 - QD2 LEU 49 far 0 100 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 1574 from aliabs.peaks (1.50, 0.80, 26.84 ppm; 3.50 A): 4 out of 7 assignments used, quality = 1.00: * HB2 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.0-3.1 3.2=100 HG LEU 69 + QD2 LEU 49 OK 63 85 80 93 2.2-7.1 2.1/11061=33, 11036=28...(22) HG3 LYS 86 + HG13 ILE 80 OK 23 43 55 100 3.6-6.4 11225/2.1=49, ~9720=37...(43) QB ALA 52 + QD2 LEU 49 OK 21 89 30 78 3.7-5.4 9240/3.2=22...(13) HB2 LEU 53 - QD2 LEU 49 far 0 71 0 - 5.0-8.1 HG LEU 42 - QD2 LEU 49 far 0 97 0 - 5.9-9.3 HG LEU 42 - HG13 ILE 80 far 0 57 0 - 8.1-11.2 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 8 assignments used, quality = 1.00: * HB3 LEU 49 + QD2 LEU 49 OK 100 100 100 100 1.9-2.7 3.2=100 HG LEU 53 + QD2 LEU 49 OK 32 81 45 88 3.3-8.1 1667=13, ~1552=12...(26) HB3 LEU 48 - QD2 LEU 49 poor 16 81 20 - 4.3-7.5 HB2 ARG 135 - HG13 ILE 80 far 0 35 0 - 5.6-9.5 HB3 ARG 84 - HG13 ILE 80 far 0 56 0 - 7.3-11.6 HB2 ARG 90 - HG13 ILE 80 far 0 61 0 - 7.9-10.4 HB3 LYS 95 - QD2 LEU 49 far 0 71 0 - 8.9-11.2 HB2 LYS 95 - QD2 LEU 49 far 0 78 0 - 9.2-11.5 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 HG LEU 123 - QD2 LEU 49 far 0 99 0 - 5.3-8.1 HB2 LEU 119 - QD2 LEU 49 far 0 65 0 - 5.6-8.6 HB2 LEU 103 - QD2 LEU 49 far 0 100 0 - 6.5-10.2 HG LEU 103 - QD2 LEU 49 far 0 95 0 - 6.5-9.4 HB3 LEU 42 - HG13 ILE 80 far 0 31 0 - 7.1-10.9 HB3 LEU 42 - QD2 LEU 49 far 0 63 0 - 7.9-11.0 HG13 ILE 37 - HG13 ILE 80 far 0 47 0 - 8.2-14.4 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 - 3.8-7.0 QD1 LEU 48 - QD2 LEU 49 far 0 100 0 - 3.9-6.5 QD2 LEU 48 - QD2 LEU 49 far 0 89 0 - 4.4-5.8 QD1 LEU 123 - QD2 LEU 49 far 0 95 0 - 4.6-7.1 QG1 VAL 118 - QD2 LEU 49 far 0 85 0 - 5.1-7.6 QG2 VAL 63 - QD2 LEU 49 far 0 100 0 - 5.2-7.4 QG1 VAL 57 - QD2 LEU 49 far 0 57 0 - 6.2-8.6 QD1 LEU 119 - QD2 LEU 49 far 0 68 0 - 6.3-9.4 QG2 ILE 37 - HG13 ILE 80 far 0 41 0 - 7.1-10.9 QG2 ILE 37 - QD2 LEU 49 far 0 78 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 1579 from aliabs.peaks (8.66, 0.80, 26.84 ppm; 6.54 A): 1 out of 1 assignment used, quality = 1.00: * H SER 50 + QD2 LEU 49 OK 100 100 100 100 3.9-5.0 6619/3.2=100...(33) Violated in 0 structures by 0.00 A. Peak 1581 from aliabs.peaks (4.11, 0.91, 23.35 ppm; 3.23 A): 2 out of 13 assignments used, quality = 0.98: * HA LEU 49 + QD1 LEU 49 OK 97 100 100 97 2.0-4.0 4.1=50, 1573/2.1=50...(20) HA GLN 104 + QG2 VAL 63 OK 42 43 100 98 1.9-3.7 3.9/11521=34...(21) HA CYS 45 - QD1 LEU 49 poor 17 99 25 68 3.8-6.8 9164=22, 4.8/9209=16...(12) HA GLN 101 - QG2 VAL 63 far 0 58 0 - 4.2-6.8 HA LEU 48 - QD1 LEU 49 far 0 99 0 - 4.5-6.2 HA ALA 52 - QD1 LEU 49 far 0 73 0 - 5.3-8.5 HA LEU 49 - QG2 VAL 63 far 0 58 0 - 8.1-9.5 HA LEU 98 - QG2 VAL 63 far 0 58 0 - 8.5-10.4 HA GLN 101 - QD1 LEU 49 far 0 100 0 - 9.4-12.5 HA3 GLY 114 - QG2 VAL 63 far 0 47 0 - 9.5-14.9 HA3 GLY 114 - QD1 LEU 49 far 0 90 0 - 9.5-15.8 HA GLN 104 - QD1 LEU 49 far 0 85 0 - 9.5-13.2 HA ALA 52 - QG2 VAL 63 far 0 36 0 - 9.7-11.1 Violated in 1 structures by 0.00 A. Peak 1582 from aliabs.peaks (1.50, 0.91, 23.35 ppm; 3.14 A): 2 out of 9 assignments used, quality = 0.99: * HB2 LEU 49 + QD1 LEU 49 OK 99 100 100 99 1.9-3.2 3.2=95, 3.0/1581=29...(14) HG LEU 69 + QD1 LEU 49 OK 34 85 55 73 2.3-5.9 1574/2.1=19, ~11061=17...(18) QB ALA 52 - QD1 LEU 49 far 9 89 10 - 3.0-5.7 HB2 LEU 53 - QD1 LEU 49 far 0 71 0 - 4.3-8.8 HG LEU 42 - QD1 LEU 49 far 0 97 0 - 6.0-9.9 QB ALA 52 - QG2 VAL 63 far 0 46 0 - 6.7-7.8 HB2 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.3-10.2 HB2 LEU 53 - QG2 VAL 63 far 0 34 0 - 8.9-12.3 HG LEU 69 - QG2 VAL 63 far 0 43 0 - 9.4-11.5 Violated in 2 structures by 0.00 A. Peak 1583 from aliabs.peaks (1.91, 0.91, 23.35 ppm; 3.50 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 LEU 48 + QD1 LEU 49 OK 39 81 60 81 2.6-6.6 ~9205=16, 4.6/1580=15...(20) HG LEU 53 - QD1 LEU 49 poor 19 81 30 80 2.0-8.2 1575/2.1=15, ~1552=10...(21) HG LEU 53 - QG2 VAL 63 far 0 40 0 - 7.3-12.9 HB3 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.4-9.1 HB2 MET 11 - QG2 VAL 63 far 0 58 0 - 8.1-41.1 HB2 PRO 113 - QG2 VAL 63 far 0 57 0 - 8.2-13.6 HG2 PRO 113 - QG2 VAL 63 far 0 46 0 - 9.2-14.7 HB2 LYS 95 - QD1 LEU 49 far 0 78 0 - 9.4-11.9 HB3 LYS 95 - QD1 LEU 49 far 0 71 0 - 9.6-11.6 HB3 LEU 48 - QG2 VAL 63 far 0 40 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 1584 from aliabs.peaks (1.57, 0.91, 23.35 ppm; 3.00 A): 3 out of 11 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 44 51 95 91 1.9-4.0 2.1/11822=26, 3942=18...(30) HB2 LEU 103 + QG2 VAL 63 OK 21 57 40 90 3.4-5.4 3.1/11822=18...(27) HG LEU 123 - QD1 LEU 49 far 0 99 0 - 4.1-8.8 HB2 LEU 119 - QD1 LEU 49 far 0 65 0 - 5.9-10.3 HG LEU 103 - QD1 LEU 49 far 0 95 0 - 6.5-11.4 HB2 LEU 119 - QG2 VAL 63 far 0 31 0 - 6.5-9.2 HG LEU 49 - QG2 VAL 63 far 0 58 0 - 7.3-10.3 HB2 LEU 103 - QD1 LEU 49 far 0 100 0 - 7.4-10.8 HB3 LEU 42 - QD1 LEU 49 far 0 63 0 - 8.0-12.0 HB2 LEU 22 - QG2 VAL 63 far 0 30 0 - 10.0-35.3 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 22 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 19 47 40 - 1.7-4.0 QD1 LEU 53 - QD1 LEU 49 poor 19 100 40 47 1.9-7.2 1674/3.2=10, 1552/3.2=9...(13) QD2 LEU 122 - QD1 LEU 49 far 14 97 15 - 2.4-6.6 QD1 LEU 122 - QD1 LEU 49 lone 3 98 30 11 2.4-5.9 1561/3.2=3, 1552/3.2=2...(4) QD1 LEU 96 - QD1 LEU 49 far 0 73 0 - 3.5-5.4 QD1 LEU 122 - QG2 VAL 63 far 0 55 0 - 3.8-6.0 QD2 LEU 122 - QG2 VAL 63 far 0 53 0 - 4.1-6.8 QD2 LEU 119 - QG2 VAL 63 far 0 56 0 - 4.2-8.0 QD2 LEU 49 - QG2 VAL 63 far 0 58 0 - 5.2-7.4 QD2 LEU 119 - QD1 LEU 49 far 0 99 0 - 5.8-9.2 QG2 ILE 129 - QD1 LEU 49 far 0 65 0 - 6.0-8.4 QD1 LEU 53 - QG2 VAL 63 far 0 58 0 - 6.0-10.7 QD1 LEU 103 - QD1 LEU 49 far 0 90 0 - 6.1-8.8 QD1 LEU 70 - QG2 VAL 63 far 0 49 0 - 6.1-9.5 QD1 LEU 96 - QG2 VAL 63 far 0 36 0 - 6.3-7.5 QD1 LEU 70 - QD1 LEU 49 far 0 92 0 - 6.6-8.9 QG1 VAL 63 - QD1 LEU 49 far 0 92 0 - 6.6-9.0 QD1 ILE 32 - QD1 LEU 49 far 0 60 0 - 7.5-19.6 QD1 ILE 37 - QD1 LEU 49 far 0 60 0 - 8.6-12.5 QD1 ILE 32 - QG2 VAL 63 far 0 28 0 - 9.7-20.9 Violated in 0 structures by 0.00 A. Peak 1586 from aliabs.peaks (0.91, 0.91, 23.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 49 + QD1 LEU 49 OK 100 100 - 100 QG2 VAL 63 + QG2 VAL 63 OK 58 58 - 100 Peak 1589 from aliabs.peaks (4.00, 4.00, 62.52 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA SER 50 + HA SER 50 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 93 93 - 100 HB2 SER 124 + HB2 SER 124 OK 83 83 - 100 HB3 SER 51 + HB3 SER 51 OK 60 60 - 100 HB3 SER 124 + HB3 SER 124 OK 50 50 - 100 Peak 1590 from aliabs.peaks (3.82, 4.00, 62.52 ppm; 3.39 A): 1 out of 16 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 100 100 2.2-2.9 3.0=100 HA LEU 123 - HA SER 50 poor 17 65 35 73 3.2-5.5 4.0/11772=40...(6) HB2 SER 50 - HB3 SER 51 far 4 71 5 - 4.1-7.0 HA LEU 123 - HB3 SER 124 far 0 33 0 - 5.6-6.0 HA LEU 123 - HB2 SER 124 far 0 49 0 - 6.0-6.6 HA LEU 62 - HA SER 50 far 0 97 0 - 7.6-9.4 HB2 SER 50 - HB3 SER 124 far 0 61 0 - 7.7-10.2 HA VAL 118 - HB3 SER 124 far 0 45 0 - 7.9-9.9 HA VAL 118 - HB2 SER 124 far 0 66 0 - 8.1-9.9 HA LEU 123 - HB3 SER 51 far 0 39 0 - 8.3-10.7 HB2 SER 50 - HB2 SER 124 far 0 85 0 - 8.6-11.0 HB2 SER 130 - HA SER 50 far 0 100 0 - 8.6-10.9 HA LEU 62 - HB3 SER 51 far 0 65 0 - 8.8-10.7 HB2 SER 9 - HA VAL 20 far 0 88 0 - 9.0-30.3 HB3 SER 9 - HA VAL 20 far 0 62 0 - 9.6-29.5 HB3 SER 33 - HA VAL 20 far 0 88 0 - 9.8-23.3 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 12 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 123 + HA SER 50 OK 22 63 45 79 3.2-5.5 4.0/11772=46...(5) HB3 SER 50 - HB3 SER 51 poor 11 71 30 50 3.9-6.3 1607/3.8=24, 1604=11...(6) HA LEU 123 - HB3 SER 124 far 0 31 0 - 5.6-6.0 HA ALA 46 - HA SER 50 far 0 95 0 - 5.9-7.9 HA LEU 123 - HB2 SER 124 far 0 47 0 - 6.0-6.6 HA3 GLY 75 - HA VAL 20 far 0 85 0 - 7.6-30.4 HB2 SER 33 - HA VAL 20 far 0 55 0 - 8.3-23.6 HA LEU 123 - HB3 SER 51 far 0 38 0 - 8.3-10.7 HB3 SER 50 - HB3 SER 124 far 0 61 0 - 8.5-11.1 HA ALA 46 - HB3 SER 51 far 0 63 0 - 8.6-10.1 HB3 SER 50 - HB2 SER 124 far 0 85 0 - 9.5-12.0 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 3.8-5.9 1.8/1653=100...(12) HB2 LEU 49 + HA SER 50 OK 71 71 100 100 3.9-5.6 ~6619=93, ~6620=57...(31) HB2 LEU 22 + HA VAL 20 OK 66 67 100 99 4.8-6.8 4.0/10724=91...(4) HB2 LEU 49 - HB3 SER 51 poor 17 43 85 47 6.9-7.9 4.6/1588=22...(4) HB2 LEU 119 - HA SER 50 far 11 73 15 - 7.3-9.3 HB2 LEU 53 - HB3 SER 124 lone 1 61 45 4 7.2-9.0 HG LEU 69 - HA SER 50 far 0 99 0 - 7.8-11.9 HB2 LEU 53 - HB3 SER 51 far 0 71 0 - 8.3-9.4 HB2 LEU 53 - HB2 SER 124 far 0 85 0 - 8.4-10.1 HB2 LEU 49 - HB3 SER 124 far 0 36 0 - 8.7-12.2 HB2 LEU 119 - HB3 SER 124 far 0 38 0 - 9.0-10.9 HB2 LEU 49 - HB2 SER 124 far 0 54 0 - 9.3-12.5 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 14 assignments used, quality = 1.00: * HB3 LEU 53 + HA SER 50 OK 97 100 100 97 2.2-4.7 3.1/9218=55, 1653=51...(12) HB VAL 20 + HA VAL 20 OK 92 92 100 100 2.3-3.0 3.0=100 HB3 MET 11 - HA VAL 20 far 0 76 0 - 6.6-22.1 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.6-8.2 HB2 GLU 55 - HB3 SER 51 far 0 71 0 - 7.0-8.8 HB3 GLU 30 - HA VAL 20 far 0 80 0 - 7.2-18.7 HB3 LEU 53 - HB3 SER 124 far 0 61 0 - 7.6-9.3 HB2 GLN 27 - HA VAL 20 far 0 52 0 - 8.4-15.4 HB3 PRO 117 - HB3 SER 124 far 0 53 0 - 8.7-11.4 HB2 GLU 55 - HA SER 50 far 0 100 0 - 8.9-10.6 HB3 LEU 53 - HB2 SER 124 far 0 85 0 - 9.0-10.8 HB3 PRO 117 - HB2 SER 124 far 0 76 0 - 9.1-11.2 HB ILE 129 - HA SER 50 far 0 98 0 - 9.2-11.4 HB ILE 129 - HB2 SER 124 far 0 81 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 1596 from aliabs.peaks (4.34, 3.82, 62.30 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 47 + HB2 SER 50 OK 100 100 100 100 2.5-4.7 1469=100, 1602/1.8=63...(7) HA ASP 131 - HB2 SER 130 poor 11 56 20 - 4.0-5.7 HA ASP 47 - HB2 SER 130 far 10 98 10 - 5.0-6.5 HA GLN 134 - HB2 SER 130 far 0 86 0 - 6.2-9.0 HA LEU 69 - HB2 SER 130 far 0 93 0 - 7.6-11.0 HA CYS 125 - HB2 SER 130 far 0 80 0 - 8.7-10.9 HA CYS 125 - HB2 SER 50 far 0 85 0 - 9.1-11.5 HA ASP 131 - HB2 SER 50 far 0 60 0 - 9.6-12.0 Violated in 3 structures by 0.07 A. Peak 1598 from aliabs.peaks (4.00, 3.82, 62.30 ppm; 3.33 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLN 127 - HB2 SER 130 far 9 58 15 - 3.1-5.7 HB3 SER 51 - HB2 SER 50 far 5 92 5 - 4.1-7.0 HA GLN 127 - HB2 SER 50 far 3 63 5 - 3.9-6.3 HB3 SER 124 - HB2 SER 50 far 0 90 0 - 7.7-10.2 HB2 SER 124 - HB2 SER 50 far 0 99 0 - 8.6-11.0 HA SER 50 - HB2 SER 130 far 0 98 0 - 8.6-10.9 HA ARG 135 - HB2 SER 130 far 0 76 0 - 8.8-11.0 HA LEU 119 - HB2 SER 50 far 0 60 0 - 9.4-11.5 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): 1 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 far 9 63 15 - 4.1-6.8 HA ALA 46 - HB2 SER 130 far 0 90 0 - 4.7-7.2 HA ALA 46 - HB2 SER 50 far 0 95 0 - 5.1-7.7 HB3 SER 50 - HB2 SER 130 far 0 98 0 - 6.8-10.0 HA LEU 123 - HB2 SER 130 far 0 58 0 - 8.4-11.0 HA LEU 70 - HB2 SER 130 far 0 98 0 - 9.9-13.0 HD2 PRO 81 - HB2 SER 130 far 0 61 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 1602 from aliabs.peaks (4.34, 3.88, 62.30 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 47 + HB3 SER 50 OK 99 100 100 99 2.1-4.1 1469/1.8=92, 1470=52...(7) HA ASP 131 - HB3 SER 50 far 0 60 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 1604 from aliabs.peaks (4.00, 3.88, 62.30 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 51 - HB3 SER 50 far 5 92 5 - 3.9-6.3 HA GLN 127 - HB3 SER 50 far 0 63 0 - 4.7-7.2 HB3 SER 124 - HB3 SER 50 far 0 90 0 - 8.5-11.1 HB2 SER 124 - HB3 SER 50 far 0 99 0 - 9.5-12.0 HA THR 65 - HB3 SER 50 far 0 68 0 - 9.9-12.4 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 0 65 0 - 5.1-7.6 HB2 SER 130 - HB3 SER 50 far 0 100 0 - 6.8-10.0 HA LEU 62 - HB3 SER 50 far 0 97 0 - 9.1-10.7 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 - 9.8-10.7 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 2.7-3.0 2.9=100 HA GLN 127 - HA SER 51 far 0 68 0 - 9.0-11.1 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 2.4-3.0 2.9=100 HA SER 50 - HA SER 51 far 14 92 15 - 4.6-4.8 HA GLN 127 - HA SER 51 far 0 95 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 1612 from aliabs.peaks (8.03, 4.22, 61.16 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + HA SER 51 OK 100 100 100 100 3.4-3.6 3.6=100 H LEU 48 - HA SER 51 poor 20 78 25 - 7.4-8.0 H VAL 57 - HA SER 51 far 0 85 0 - 9.8-10.7 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 3.2-4.0 6672=100, 4.0/1691=94...(5) Violated in 0 structures by 0.00 A. Peak 1614 from aliabs.peaks (4.46, 4.22, 61.16 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 54 + HA SER 51 OK 100 100 100 100 4.1-5.4 1691=100, 4.0/6672=43, ~9223=14 Violated in 18 structures by 0.44 A. Peak 1615 from aliabs.peaks (4.10, 3.94, 62.66 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.94: * HA LEU 48 + HB2 SER 51 OK 94 100 95 99 2.9-5.1 1492=90, 1621/1.8=80...(6) HA LEU 49 - HB2 SER 51 far 10 99 10 - 4.8-6.3 HA CYS 45 - HB2 SER 51 far 0 93 0 - 8.2-10.2 Violated in 6 structures by 0.15 A. Peak 1616 from aliabs.peaks (7.99, 3.94, 62.66 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H SER 51 + HB2 SER 51 OK 100 100 100 100 2.2-3.5 3.8=100 H VAL 57 - HB2 SER 51 far 0 81 0 - 9.5-11.5 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 2.7-3.0 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 - 5.6-6.6 HA THR 65 - HB2 SER 51 far 0 97 0 - 9.0-11.9 HA GLN 127 - HB2 SER 51 far 0 95 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1621 from aliabs.peaks (4.10, 3.98, 62.66 ppm; 5.24 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 48 + HB3 SER 51 OK 100 100 100 100 2.9-4.3 1615/1.8=98, 1493=92...(7) HA LEU 49 + HA SER 50 OK 69 69 100 100 4.8-4.9 4.8=100 HA LEU 49 + HB3 SER 51 OK 59 99 70 85 5.3-6.5 4.9/1493=61, 1544/4.6=32...(7) HA LEU 48 - HA SER 50 far 0 71 0 - 6.4-6.7 HA ILE 32 - HA VAL 20 far 0 71 0 - 8.0-19.4 HA CYS 45 - HB3 SER 51 far 0 93 0 - 8.2-9.7 HA CYS 45 - HA SER 50 far 0 62 0 - 9.0-10.1 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 12 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 100 100 2.4-3.0 2.9=100 HA SER 51 + HA SER 50 OK 71 71 100 99 4.6-4.8 4.9=91, ~1601=38...(14) HA SER 124 + HB2 SER 124 OK 35 35 100 100 2.6-3.0 3.0=100 HA ALA 29 - HA VAL 20 far 3 69 5 - 4.5-17.9 HA ALA 28 - HA VAL 20 far 2 41 5 - 4.1-16.2 HA SER 124 - HA SER 50 far 0 41 0 - 6.4-7.7 HA GLU 128 - HB2 SER 124 far 0 36 0 - 6.9-8.3 HA ALA 34 - HA VAL 20 far 0 73 0 - 7.6-26.0 HB THR 25 - HA VAL 20 far 0 39 0 - 7.8-14.9 HA GLU 30 - HA VAL 20 far 0 74 0 - 8.8-19.7 HA GLU 128 - HA SER 50 far 0 43 0 - 9.6-11.5 HA SER 99 - HB2 SER 124 far 0 59 0 - 9.7-12.1 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 HA2 GLY 17 - HA VAL 20 far 0 70 0 - 5.4-8.9 HB2 SER 51 - HA SER 50 far 0 71 0 - 5.6-6.6 HA GLN 127 - HA SER 50 far 0 41 0 - 5.6-7.2 HA3 GLY 17 - HA VAL 20 far 0 62 0 - 6.3-10.0 HA GLN 127 - HB2 SER 124 far 0 35 0 - 7.5-8.4 HA GLN 127 - HB3 SER 51 far 0 68 0 - 9.3-11.1 HA THR 65 - HB3 SER 51 far 0 63 0 - 10.0-11.8 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 - 6.8-8.5 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 = 0.97: * HA LEU 49 + QB ALA 52 OK 88 100 100 88 2.1-3.4 2.9/9247=34, 1545=27...(17) 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 - 4.6-5.3 HA3 GLY 114 - QB ALA 52 far 0 90 0 - 6.6-15.4 HA CYS 45 - QB ALA 52 far 0 99 0 - 7.5-8.2 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 2.0-2.3 2.9=100 H VAL 57 + QB ALA 52 OK 76 85 90 99 4.9-6.0 4.1/9317=81, 4.1/9312=78...(6) H LEU 48 - QB ALA 52 far 0 78 0 - 6.1-6.9 H CYS 125 - QB ALA 52 far 0 92 0 - 9.3-11.2 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 49 73 100 67 2.1-3.4 2.9/9247=22, 3.0/9240=17...(15) HA3 GLY 114 - QB ALA 52 far 0 99 0 - 6.6-15.4 HA CYS 45 - QB ALA 52 far 0 89 0 - 7.5-8.2 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 2.3-2.7 3.0=100 HB2 LEU 119 + HA LEU 53 OK 57 73 95 82 2.2-5.4 3.1/11621=51...(13) HB2 LEU 49 - HA LEU 53 far 0 71 0 - 5.8-8.2 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 - 6.6-7.3 HB3 PRO 56 - HA LEU 53 far 0 99 0 - 8.6-9.4 HG2 PRO 56 - HA LEU 53 far 0 93 0 - 9.0-9.5 HG3 PRO 56 - HA LEU 53 far 0 89 0 - 9.1-10.0 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 2.6-4.3 2.1/1679=89, 4.3=83...(13) HB3 LEU 49 - HA LEU 53 far 0 81 0 - 5.2-7.8 HB2 PRO 113 - HA LEU 53 far 0 68 0 - 6.0-11.6 HG2 PRO 113 - HA LEU 53 far 0 100 0 - 8.0-13.6 Violated in 1 structures by 0.01 A. Peak 1641 from aliabs.peaks (0.79, 4.18, 56.53 ppm; 3.72 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 100 100 2.6-4.1 1671=100, 2.1/1679=83...(14) QD2 LEU 119 + HA LEU 53 OK 38 100 45 85 2.7-6.8 11621=71, 3.1/1638=19...(7) QD1 LEU 122 - HA LEU 53 far 0 95 0 - 4.7-8.1 QD2 LEU 49 - HA LEU 53 far 0 100 0 - 5.7-7.8 QD2 LEU 122 - HA LEU 53 far 0 99 0 - 5.9-10.2 QD1 LEU 103 - HA LEU 53 far 0 96 0 - 6.1-9.0 QD1 LEU 96 - HA LEU 53 far 0 83 0 - 8.2-12.4 QG1 VAL 63 - HA LEU 53 far 0 97 0 - 9.8-12.9 Violated in 7 structures by 0.05 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 1.9-3.3 1679=100, 2.1/1671=59...(14) QD1 LEU 119 - HA LEU 53 far 9 63 15 - 2.6-6.0 QG1 VAL 57 - HA LEU 53 far 0 73 0 - 5.7-6.5 QG2 VAL 126 - HA LEU 53 far 0 100 0 - 7.1-10.8 QG1 VAL 126 - HA LEU 53 far 0 97 0 - 7.6-9.9 QG1 VAL 112 - HA LEU 53 far 0 100 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 1644 from aliabs.peaks (4.00, 1.52, 42.16 ppm; 4.41 A): 2 out of 7 assignments used, quality = 0.96: * HA SER 50 + HB2 LEU 53 OK 94 100 95 99 3.8-5.9 9218/3.1=68, 1653/1.8=66...(12) HA LEU 119 + HB2 LEU 53 OK 37 60 65 95 3.6-7.8 11001/11809=43...(24) HB3 SER 124 - HB2 LEU 53 far 0 90 0 - 7.2-9.0 HA GLN 127 - HB2 LEU 53 far 0 63 0 - 8.2-11.4 HB3 SER 51 - HB2 LEU 53 far 0 92 0 - 8.3-9.4 HB2 SER 124 - HB2 LEU 53 far 0 99 0 - 8.4-10.1 HB3 SER 99 - HB2 LEU 53 far 0 100 0 - 8.6-12.6 Violated in 8 structures by 0.09 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 2.3-2.7 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 3 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 - 8.4-9.2 HB3 PRO 117 - HB2 LEU 53 far 0 95 0 - 9.0-12.5 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 4 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 49 - HB2 LEU 53 far 8 81 10 - 4.1-7.9 HB2 PRO 113 - HB2 LEU 53 far 0 68 0 - 6.9-13.0 HG2 PRO 113 - HB2 LEU 53 far 0 100 0 - 9.2-14.7 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 15 100 15 - 4.2-7.8 QD1 LEU 122 - HB2 LEU 53 poor 14 95 30 49 3.6-8.4 1659/1.8=10, 1683/3.1=9...(20) QD2 LEU 122 - HB2 LEU 53 far 0 99 0 - 4.7-10.2 QD2 LEU 49 - HB2 LEU 53 far 0 100 0 - 5.0-8.1 QD1 LEU 103 - HB2 LEU 53 far 0 96 0 - 6.5-9.9 QD1 LEU 96 - HB2 LEU 53 far 0 83 0 - 7.4-12.3 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 6 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.1-3.1 3.1=100 QD1 LEU 119 - HB2 LEU 53 far 3 63 5 - 3.5-6.7 QG2 VAL 126 - HB2 LEU 53 far 0 100 0 - 6.1-10.6 QG1 VAL 126 - HB2 LEU 53 far 0 97 0 - 6.3-9.6 QG1 VAL 57 - HB2 LEU 53 far 0 73 0 - 7.7-8.5 QG1 VAL 112 - HB2 LEU 53 far 0 100 0 - 9.3-13.4 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 8 assignments used, quality = 1.00: * HA SER 50 + HB3 LEU 53 OK 100 100 100 100 2.2-4.7 9218/3.1=79, 1644/1.8=64...(12) HA LEU 119 - HB3 LEU 53 poor 12 60 20 - 3.4-8.9 HB3 SER 51 - HB3 LEU 53 far 0 92 0 - 6.6-8.2 HA GLN 127 - HB3 LEU 53 far 0 63 0 - 7.6-10.2 HB3 SER 124 - HB3 LEU 53 far 0 90 0 - 7.6-9.3 HB2 SER 124 - HB3 LEU 53 far 0 99 0 - 9.0-10.8 HB3 SER 99 - HB3 LEU 53 far 0 100 0 - 9.8-13.7 HA THR 65 - HB3 LEU 53 far 0 68 0 - 9.9-14.2 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 49 - HB3 LEU 53 poor 18 71 25 - 4.4-7.9 HB2 LEU 119 - HB3 LEU 53 far 7 73 10 - 2.7-7.7 HG LEU 69 - HB3 LEU 53 far 0 99 0 - 9.5-16.0 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 2.4-3.0 3.0=100 HB3 LEU 49 + HB3 LEU 53 OK 59 81 75 98 4.0-7.6 1674/3.1=31...(31) HB2 PRO 113 - HB3 LEU 53 far 0 68 0 - 8.2-14.2 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 2.0-2.4 3.1=100 QD1 LEU 122 - HB3 LEU 53 far 9 95 10 - 4.3-8.4 QD2 LEU 119 - HB3 LEU 53 far 5 100 5 - 4.4-8.8 QD2 LEU 122 - HB3 LEU 53 far 5 99 5 - 4.7-10.6 QD2 LEU 49 - HB3 LEU 53 far 0 100 0 - 4.9-8.1 QD1 LEU 103 - HB3 LEU 53 far 0 96 0 - 7.2-10.8 QD1 LEU 96 - HB3 LEU 53 far 0 83 0 - 7.6-12.6 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 2.7-3.2 3.1=100 QD1 LEU 119 - HB3 LEU 53 far 3 63 5 - 4.3-7.6 QG1 VAL 126 - HB3 LEU 53 far 0 97 0 - 5.6-9.4 QG2 VAL 126 - HB3 LEU 53 far 0 100 0 - 6.1-10.7 QG1 VAL 57 - HB3 LEU 53 far 0 73 0 - 7.4-8.2 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 2.6-4.3 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 2.3-3.0 3.0=100 HB2 LEU 119 + HG LEU 53 OK 58 73 80 99 4.2-8.1 ~11845=58, 1680/2.1=36...(30) HB2 LEU 49 + HG LEU 53 OK 38 71 55 98 3.0-7.3 1672/2.1=32, ~1674=28...(25) HG LEU 69 - HG LEU 53 far 0 99 0 - 8.1-13.7 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 4 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 55 - HG LEU 53 far 0 100 0 - 8.0-10.5 HB VAL 63 - HG LEU 53 far 0 63 0 - 9.6-16.0 HB3 PRO 117 - HG LEU 53 far 0 95 0 - 9.9-14.4 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): 3 out of 9 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 41 100 45 92 3.3-8.1 1575=18, ~1552=16...(27) QD1 LEU 122 + HG LEU 53 OK 30 95 50 64 2.2-8.0 1683/2.1=13, 1659/3.0=11...(24) QD2 LEU 122 - HG LEU 53 poor 20 99 20 - 4.0-10.1 QD2 LEU 119 - HG LEU 53 far 15 100 15 - 4.9-9.2 QD1 LEU 103 - HG LEU 53 far 0 96 0 - 5.8-11.5 QD1 LEU 96 - HG LEU 53 far 0 83 0 - 6.0-12.1 QG1 VAL 63 - HG LEU 53 far 0 97 0 - 8.6-14.3 QD1 LEU 70 - HG LEU 53 far 0 85 0 - 10.0-16.6 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 5 100 5 - 4.9-10.1 QG1 VAL 126 - HG LEU 53 far 0 97 0 - 5.4-9.0 QD1 LEU 119 - HG LEU 53 far 0 63 0 - 5.5-8.2 QG1 VAL 57 - HG LEU 53 far 0 73 0 - 6.7-9.5 Violated in 0 structures by 0.00 A. Peak 1671 from aliabs.peaks (4.18, 0.79, 26.16 ppm; 3.71 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.6-4.1 3.8=95, 1679/2.1=82...(14) HA HIS 67 - QD2 LEU 122 far 0 46 0 - 4.9-8.0 HA LEU 53 - QD2 LEU 122 far 0 84 0 - 5.9-10.2 HA HIS 67 - QD1 LEU 53 far 0 63 0 - 8.6-13.7 HA GLU 128 - QD2 LEU 122 far 0 75 0 - 8.6-12.0 HA GLU 128 - QD1 LEU 53 far 0 95 0 - 8.6-10.9 HA VAL 105 - QD2 LEU 122 far 0 84 0 - 9.2-13.0 Violated in 13 structures by 0.14 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 46 71 75 86 2.2-6.5 1.8/1674=25, 3.0/1541=19...(26) HB2 LEU 119 - QD1 LEU 53 far 11 73 15 - 3.3-7.0 HB2 LEU 49 - QD2 LEU 122 far 3 53 5 - 3.7-8.2 HB2 LEU 119 - QD2 LEU 122 far 0 55 0 - 4.3-7.6 HB2 LEU 53 - QD2 LEU 122 far 0 84 0 - 4.7-10.2 HG LEU 69 - QD2 LEU 122 far 0 82 0 - 4.9-8.1 HG LEU 69 - QD1 LEU 53 far 0 99 0 - 5.7-12.2 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 2.0-2.4 3.1=100 HB3 LEU 53 - QD2 LEU 122 far 0 84 0 - 4.7-10.6 HB VAL 63 - QD2 LEU 122 far 0 46 0 - 6.3-8.9 HB ILE 129 - QD2 LEU 122 far 0 80 0 - 6.6-10.8 HB2 GLU 55 - QD1 LEU 53 far 0 100 0 - 6.9-9.4 HB3 PRO 117 - QD2 LEU 122 far 0 75 0 - 7.0-10.2 HB ILE 129 - QD1 LEU 53 far 0 98 0 - 7.8-11.7 HB VAL 63 - QD1 LEU 53 far 0 63 0 - 8.0-13.2 HB3 PRO 117 - QD1 LEU 53 far 0 95 0 - 9.1-11.5 HG2 PRO 56 - QD1 LEU 53 far 0 93 0 - 9.4-11.6 HG3 PRO 56 - QD1 LEU 53 far 0 89 0 - 9.4-12.0 HB3 PRO 56 - QD1 LEU 53 far 0 99 0 - 9.6-11.6 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 12 assignments used, quality = 1.00: * HG LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 49 + QD1 LEU 53 OK 46 81 65 87 1.8-6.1 1.8/1552=21, 3.0/1541=17...(28) HB3 LEU 49 - QD2 LEU 122 far 6 61 10 - 3.7-8.0 HG LEU 53 - QD2 LEU 122 far 4 84 5 - 4.0-10.1 HB3 LYS 95 - QD2 LEU 122 far 0 83 0 - 5.3-8.4 HB2 LYS 95 - QD2 LEU 122 far 0 84 0 - 5.8-9.0 HB2 PRO 113 - QD1 LEU 53 far 0 68 0 - 7.7-13.0 HB2 LYS 95 - QD1 LEU 53 far 0 100 0 - 9.2-13.1 HB2 PRO 58 - QD1 LEU 53 far 0 95 0 - 9.3-13.7 HB3 LYS 95 - QD1 LEU 53 far 0 100 0 - 9.3-12.7 HG2 PRO 113 - QD1 LEU 53 far 0 100 0 - 9.3-14.8 HB2 PRO 58 - QD2 LEU 122 far 0 75 0 - 9.4-12.7 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): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 126 + QD2 LEU 122 OK 31 83 50 75 1.8-4.9 11681=19, 10397/3.9=18...(17) QD2 LEU 53 - QD2 LEU 122 poor 17 84 20 - 2.7-8.6 QG2 VAL 126 - QD1 LEU 53 far 15 100 15 - 2.9-7.8 QG1 VAL 126 - QD1 LEU 53 far 15 97 15 - 3.3-7.1 QG1 VAL 126 - QD2 LEU 122 far 8 79 10 - 3.3-6.7 QD1 LEU 119 - QD2 LEU 122 far 0 46 0 - 4.2-8.1 QD1 LEU 119 - QD1 LEU 53 far 0 63 0 - 5.2-7.4 QG1 VAL 57 - QD1 LEU 53 far 0 73 0 - 5.8-8.1 QG1 VAL 105 - QD2 LEU 122 far 0 75 0 - 7.4-10.6 QG1 VAL 57 - QD2 LEU 122 far 0 55 0 - 8.1-10.7 QG1 VAL 112 - QD1 LEU 53 far 0 100 0 - 9.7-13.0 QG1 VAL 112 - QD2 LEU 122 far 0 84 0 - 10.0-13.5 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 = 0.99: * HA LEU 53 + QD2 LEU 53 OK 99 100 100 99 1.9-3.3 1642=77, 1671/2.1=49...(14) HA HIS 67 - QD2 LEU 53 far 0 63 0 - 8.6-15.1 Violated in 3 structures by 0.03 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 2.1-3.1 3.1=100 HB2 LEU 119 + QD2 LEU 53 OK 53 73 85 85 1.9-6.6 2.9/11845=47...(23) HB2 LEU 49 - QD2 LEU 53 far 7 71 10 - 3.2-7.2 HG LEU 69 - QD2 LEU 53 far 0 99 0 - 7.1-12.1 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 8 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.7-3.2 3.1=100 HB2 GLU 55 - QD2 LEU 53 far 0 100 0 - 7.2-8.4 HB VAL 63 - QD2 LEU 53 far 0 63 0 - 7.6-14.0 HB3 PRO 117 - QD2 LEU 53 far 0 95 0 - 7.7-10.7 HB3 PRO 56 - QD2 LEU 53 far 0 99 0 - 8.7-10.0 HG2 PRO 56 - QD2 LEU 53 far 0 93 0 - 9.0-10.2 HG3 PRO 56 - QD2 LEU 53 far 0 89 0 - 9.0-10.7 HB ILE 129 - QD2 LEU 53 far 0 98 0 - 9.7-12.8 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 6 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 25 81 35 88 2.0-8.0 1674/2.1=22, ~1552=14...(29) HB2 PRO 113 - QD2 LEU 53 far 0 68 0 - 5.9-11.0 HG2 PRO 113 - QD2 LEU 53 far 0 100 0 - 7.8-12.8 HB2 PRO 58 - QD2 LEU 53 far 0 95 0 - 8.8-13.5 HB3 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 1683 from aliabs.peaks (0.79, 0.97, 25.20 ppm; 2.50 A): 2 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 OK 31 100 55 57 2.8-7.5 3790/11845=24...(11) QD2 LEU 49 - QD2 LEU 53 far 15 100 15 - 2.7-7.7 QD2 LEU 122 - QD2 LEU 53 far 15 99 15 - 2.7-8.6 QD1 LEU 122 - QD2 LEU 53 poor 12 95 35 37 1.7-6.9 11702/11845=10...(11) QD1 LEU 103 - QD2 LEU 53 far 0 96 0 - 3.7-9.5 QD1 LEU 96 - QD2 LEU 53 far 0 83 0 - 4.6-10.5 QG1 VAL 63 - QD2 LEU 53 far 0 97 0 - 6.9-12.5 QD1 LEU 70 - QD2 LEU 53 far 0 85 0 - 7.9-14.3 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 2.4-2.6 3.2=100 QG2 THR 65 - HA THR 54 far 0 92 0 - 9.6-11.8 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 4.1-5.4 1614=100, 6672/4.0=85, ~9223=33 HA SER 124 - HB THR 54 far 0 68 0 - 9.7-13.9 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 2 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 - 7.5-12.0 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 1 assignment used, quality = 1.00: * QG2 THR 54 + HB THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 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 2.4-2.6 1689=82, 3.0/6684=39...(6) HA ASN 120 - QG2 THR 54 far 0 100 0 - 5.2-8.7 HA THR 115 - QG2 THR 54 far 0 71 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 1699 from aliabs.peaks (4.46, 1.24, 21.56 ppm; 2.77 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + QG2 THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 HA ASN 121 - QG2 THR 54 far 0 81 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 1700 from aliabs.peaks (1.24, 1.24, 21.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 54 + QG2 THR 54 OK 100 100 - 100 Peak 1702 from aliabs.peaks (7.75, 4.76, 53.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HA GLU 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1703 from aliabs.peaks (4.76, 4.76, 53.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HA GLU 55 OK 100 100 - 100 Peak 1704 from aliabs.peaks (1.99, 4.76, 53.40 ppm; 6.80 A): 5 out of 5 assignments used, quality = 1.00: * HB2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 PRO 56 + HA GLU 55 OK 97 97 100 100 5.5-5.7 3.0/1732=53, 3.0/1734=53...(25) HG2 PRO 56 + HA GLU 55 OK 88 89 100 100 4.4-4.6 2.3/1732=53, 2.3/1734=53...(20) HG3 PRO 56 + HA GLU 55 OK 82 83 100 100 4.4-4.6 2.3/1732=53, 2.3/1734=53...(19) HB3 LEU 53 + HA GLU 55 OK 21 100 35 61 7.4-8.3 ~9267=40, ~9264=33 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 5 90 5 - 7.5-12.1 Violated in 0 structures by 0.00 A. Peak 1706 from aliabs.peaks (2.45, 4.76, 53.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HA GLU 55 OK 100 100 100 100 3.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1707 from aliabs.peaks (2.37, 4.76, 53.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 55 + HA GLU 55 OK 100 100 100 100 2.1-4.2 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 2.4-2.7 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 5 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 0 20 0 - 4.7-10.1 HG3 PRO 113 - HB2 GLU 55 far 0 90 0 - 9.3-13.7 HG2 PRO 58 - HB2 GLU 55 far 0 92 0 - 9.6-10.4 HG3 PRO 58 - HB2 GLU 55 far 0 78 0 - 9.7-10.7 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 2.5-3.0 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 2.3-3.0 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 2.7-3.7 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 - 5.1-5.8 HG3 PRO 56 - HB3 GLU 55 far 0 83 0 - 5.6-6.6 HB3 LEU 53 - HB3 GLU 55 far 0 100 0 - 6.5-8.8 HB3 PRO 56 - HB3 GLU 55 far 0 97 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 1717 from aliabs.peaks (2.04, 2.04, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 55 + HB3 GLU 55 OK 100 100 - 100 Peak 1718 from aliabs.peaks (2.45, 2.04, 30.10 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1719 from aliabs.peaks (2.37, 2.04, 30.10 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1720 from aliabs.peaks (7.75, 2.45, 33.76 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-4.2 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 3.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1722 from aliabs.peaks (1.99, 2.45, 33.76 ppm; 3.58 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 PRO 81 - HG3 GLN 82 poor 14 48 30 - 3.5-6.8 HG2 PRO 81 - HG2 GLN 82 far 0 37 0 - 4.8-7.5 HB3 LEU 53 - HG2 GLU 55 far 0 100 0 - 5.6-9.0 HG2 PRO 56 - HG2 GLU 55 far 0 89 0 - 5.8-6.4 HG3 PRO 56 - HG2 GLU 55 far 0 83 0 - 6.6-7.2 HB3 PRO 56 - HG2 GLU 55 far 0 97 0 - 6.7-8.1 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 13 assignments used, quality = 1.00: * HB3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 81 - HG3 GLN 82 far 8 56 15 - 3.7-6.8 HB2 PRO 81 - HG3 GLN 82 far 5 31 15 - 4.5-7.5 HG3 PRO 81 - HG2 GLN 82 far 4 44 10 - 4.5-7.6 HG3 ARG 135 - HG3 GLN 82 far 0 55 0 - 6.0-10.4 HB2 PRO 81 - HG2 GLN 82 far 0 24 0 - 6.1-7.7 HG3 ARG 135 - HG2 GLN 82 far 0 43 0 - 6.5-10.1 HG2 PRO 58 - HG2 GLU 55 far 0 92 0 - 9.0-12.3 HB2 LEU 62 - HG2 GLU 55 far 0 90 0 - 9.1-13.2 HB2 GLN 134 - HG2 GLN 82 far 0 31 0 - 9.6-13.2 HG3 PRO 58 - HG2 GLU 55 far 0 78 0 - 9.7-12.6 HG2 ARG 90 - HG3 GLN 82 far 0 44 0 - 9.8-14.3 HB2 GLN 134 - HG3 GLN 82 far 0 41 0 - 10.0-13.9 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 2.8-4.3 4.9=100 Violated in 0 structures by 0.00 A. Peak 1727 from aliabs.peaks (4.76, 2.37, 33.76 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.1-4.2 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): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 56 + HG3 GLU 55 OK 47 89 55 97 4.7-6.9 2.3/9291=35, 2.3/9284=35...(24) HG3 PRO 56 - HG3 GLU 55 far 4 83 5 - 5.1-7.5 HB3 PRO 56 - HG3 GLU 55 far 0 97 0 - 5.6-8.1 HB3 LEU 53 - HG3 GLU 55 far 0 100 0 - 6.4-9.6 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 5 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 - 8.2-12.4 HG3 PRO 58 - HG3 GLU 55 far 0 78 0 - 8.8-12.7 HB2 LEU 62 - HG3 GLU 55 far 0 90 0 - 9.2-13.4 HG3 PRO 113 - HG3 GLU 55 far 0 90 0 - 9.3-14.6 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 2.3-2.5 3.8=84, 3.0/9282=23...(26) HA GLU 55 + HD3 PRO 56 OK 88 90 100 99 2.3-2.5 3.8=84, 3.0/9282=23...(26) 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 2.3-2.5 3.8=100 HD3 PRO 56 + HA GLU 55 OK 97 97 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1734 from aliabs.peaks (4.76, 3.65, 49.73 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HD3 PRO 56 OK 99 100 100 99 2.3-2.5 3.8=84, 3.0/9282=22...(26) HA GLU 55 + HD2 PRO 56 OK 88 90 100 99 2.3-2.5 3.8=84, 3.0/9282=23...(26) Violated in 0 structures by 0.00 A. Peak 1735 from aliabs.peaks (3.65, 4.76, 53.40 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 56 + HA GLU 55 OK 100 100 100 100 2.3-2.5 3.8=100 HD2 PRO 56 + HA GLU 55 OK 97 97 100 100 2.3-2.5 3.8=100 HD2 PRO 58 - HA GLU 55 far 0 63 0 - 9.2-9.7 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 3.6-4.1 3.6=100 HA PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.6-4.1 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 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.0-3.9 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 74 0 - 9.9-14.7 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 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 97 97 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 97 97 100 100 1.8-4.0 4.8=58, 6692/4.8=41...(27) HB3 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 87 87 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 84 84 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 84 84 100 100 1.7-3.8 4.8=58, 6692/4.8=41...(26) HB3 LEU 53 - HD2 PRO 56 far 0 99 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 87 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1739 from aliabs.peaks (2.01, 3.66, 49.73 ppm; 4.01 A): 8 out of 10 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 90 90 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 89 89 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 1.8-4.0 4.8=58, 6692/4.8=37...(27) HB3 PRO 56 + HD3 PRO 56 OK 87 87 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 74 74 100 100 1.7-3.8 4.8=58, 6692/4.8=37...(26) HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 79 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1740 from aliabs.peaks (2.01, 3.66, 49.73 ppm; 3.96 A): 8 out of 10 assignments used, quality = 1.00: * HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 97 97 100 100 3.9-4.0 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 90 90 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 89 89 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 84 84 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 83 83 100 100 1.8-4.0 4.8=56, 1.8/9282=36...(27) HB2 GLU 55 + HD3 PRO 56 OK 68 68 100 100 1.7-3.8 4.8=56, 1.8/9282=36...(26) HB3 LEU 53 - HD2 PRO 56 far 0 89 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 74 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1741 from aliabs.peaks (3.66, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 HD3 PRO 56 + HD3 PRO 56 OK 83 83 - 100 Peak 1742 from aliabs.peaks (3.65, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HD2 PRO 56 OK 97 97 - 100 HD3 PRO 56 + HD3 PRO 56 OK 90 90 - 100 Reference assignment not found: HD3 PRO 56 - HD2 PRO 56 Peak 1744 from aliabs.peaks (4.67, 3.65, 49.73 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.6-4.1 3.6=100 HA PRO 56 + HD2 PRO 56 OK 90 90 100 100 3.6-4.1 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 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 90 90 100 100 3.0-3.9 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 89 0 - 9.9-14.7 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 3.9-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 97 97 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 97 97 100 100 1.7-3.8 4.8=57, 6692/4.8=40...(26) HB3 PRO 56 + HD2 PRO 56 OK 90 90 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 87 87 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 84 84 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 84 84 100 100 1.8-4.0 4.8=57, 6692/4.8=40...(27) HB3 LEU 53 - HD2 PRO 56 far 0 87 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 99 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1747 from aliabs.peaks (2.01, 3.65, 49.73 ppm; 3.99 A): 8 out of 10 assignments used, quality = 1.00: * HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.9-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 90 90 100 100 2.3-3.0 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 89 89 100 100 2.3-2.7 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 88 89 100 100 1.7-3.8 4.8=57, 6692/4.8=37...(26) HB3 PRO 56 + HD2 PRO 56 OK 87 87 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 74 74 100 100 1.8-4.0 4.8=57, 6692/4.8=37...(27) HB3 LEU 53 - HD2 PRO 56 far 0 79 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1748 from aliabs.peaks (2.01, 3.65, 49.73 ppm; 3.96 A): 8 out of 10 assignments used, quality = 1.00: * HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 97 97 100 100 3.9-4.0 3.0=100 HG3 PRO 56 + HD2 PRO 56 OK 90 90 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD2 PRO 56 OK 89 89 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 84 84 100 100 3.9-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 83 83 100 100 1.7-3.8 4.8=56, 1.8/9282=35...(26) HB2 GLU 55 + HD2 PRO 56 OK 68 68 100 100 1.8-4.0 4.8=56, 1.8/9282=35...(27) HB3 LEU 53 - HD2 PRO 56 far 0 74 0 - 9.1-10.1 HB3 LEU 53 - HD3 PRO 56 far 0 89 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1749 from aliabs.peaks (3.66, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 97 97 - 100 HD2 PRO 56 + HD2 PRO 56 OK 90 90 - 100 Reference assignment not found: HD2 PRO 56 - HD3 PRO 56 Peak 1750 from aliabs.peaks (3.65, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 83 83 - 100 Peak 1752 from aliabs.peaks (4.67, 4.67, 62.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HA PRO 56 OK 100 100 - 100 Peak 1753 from aliabs.peaks (2.13, 4.67, 62.91 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 112 - HA PRO 56 far 0 89 0 - 6.7-10.8 Violated in 0 structures by 0.00 A. Peak 1754 from aliabs.peaks (2.00, 4.67, 62.91 ppm; 3.99 A): 4 out of 6 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HA PRO 56 OK 99 99 100 100 3.9-3.9 3.8=100 HG3 PRO 56 + HA PRO 56 OK 97 97 100 100 4.0-4.0 3.8=100 HB2 GLU 55 + HA PRO 56 OK 73 97 90 83 4.7-5.0 9315/10920=39...(7) HG2 PRO 58 - HA PRO 56 far 0 68 0 - 8.5-8.6 HB3 LEU 53 - HA PRO 56 far 0 99 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1755 from aliabs.peaks (2.01, 4.67, 62.91 ppm; 4.00 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 2.7-2.7 2.3=100 HB2 GLU 55 + HA PRO 56 OK 59 89 90 74 4.7-5.0 9314/10919=30...(7) HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.5-8.6 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.6-9.5 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 2.7-2.7 2.3=100 HB2 GLU 55 + HA PRO 56 OK 56 83 95 72 4.7-5.0 9314/10919=27...(7) HG2 PRO 58 - HA PRO 56 far 0 90 0 - 8.5-8.6 HB3 LEU 53 - HA PRO 56 far 0 89 0 - 8.6-9.5 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 3.6-4.1 3.6=100 HD3 PRO 56 + HA PRO 56 OK 97 97 100 100 3.6-4.1 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 3.6-4.1 3.6=100 HD2 PRO 56 + HA PRO 56 OK 97 97 100 100 3.6-4.1 3.6=100 HD2 PRO 58 - HA PRO 56 far 0 63 0 - 6.5-6.7 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 2.3-2.3 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 3.0-3.0 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 2.3-2.3 2.3=100 HB2 GLU 55 - HB2 PRO 56 far 0 97 0 - 5.3-5.7 HG2 PRO 58 - HB2 PRO 56 far 0 68 0 - 9.9-10.1 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 3.0-3.0 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 89 0 - 5.3-5.7 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 9.9-10.1 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 2.3-2.3 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 83 0 - 5.3-5.7 HG2 PRO 58 - HB2 PRO 56 far 0 90 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1765 from aliabs.peaks (3.66, 2.13, 29.15 ppm; 4.87 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 3.0-3.9 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 3.0-3.9 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 97 97 100 100 3.0-3.9 3.0=100 HD2 PRO 58 - HB2 PRO 56 far 0 63 0 - 7.6-8.1 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 1 assignment used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 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 - 7.5-12.1 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 3.9-4.0 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 97 97 100 100 3.9-4.0 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 3.9-4.0 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 97 97 100 100 3.9-4.0 3.0=100 HD2 PRO 58 - HB3 PRO 56 far 0 63 0 - 6.1-6.9 Violated in 0 structures by 0.00 A. Peak 1776 from aliabs.peaks (4.67, 2.01, 27.39 ppm; 4.78 A): 2 out of 3 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 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 7 assignments used, quality = 1.00: * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 81 + HG2 PRO 81 OK 99 99 100 100 2.3-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 23 0 - 8.9-14.5 HB VAL 112 - HG3 PRO 56 far 0 88 0 - 9.6-13.6 HB VAL 112 - HG2 PRO 56 far 0 89 0 - 9.7-14.1 HB2 PRO 56 - HG2 PRO 58 far 0 29 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1778 from aliabs.peaks (2.00, 2.01, 27.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG2 PRO 81 + HG2 PRO 81 OK 98 98 - 100 HG3 PRO 56 + HG3 PRO 56 OK 97 97 - 100 Reference assignment not found: HB3 PRO 56 - HG2 PRO 56 Peak 1779 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 99 99 - 100 HG2 PRO 58 + HG2 PRO 58 OK 21 21 - 100 Peak 1780 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 99 99 - 100 HG2 PRO 58 + HG2 PRO 58 OK 23 23 - 100 Reference assignment not found: HG3 PRO 56 - HG2 PRO 56 Peak 1781 from aliabs.peaks (3.66, 2.01, 27.39 ppm; 4.49 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 97 97 100 100 2.3-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 96 96 100 100 2.3-2.7 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 2.3-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 97 97 100 100 2.3-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 96 96 100 100 2.3-2.7 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 63 0 - 7.0-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 62 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(8) H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(6) H VAL 57 + HG2 PRO 58 OK 23 29 100 79 6.5-6.6 ~1794=36, ~10921=33...(4) H ALA 52 - HG2 PRO 56 far 0 85 0 - 9.7-10.8 H ALA 52 - HG2 PRO 58 far 0 21 0 - 9.8-11.1 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 3 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 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 7 assignments used, quality = 1.00: * HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 81 + HG2 PRO 81 OK 98 98 100 100 2.3-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 28 0 - 8.9-14.5 HB VAL 112 - HG3 PRO 56 far 0 89 0 - 9.6-13.6 HB VAL 112 - HG2 PRO 56 far 0 88 0 - 9.7-14.1 HB2 PRO 56 - HG2 PRO 58 far 0 36 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1786 from aliabs.peaks (2.00, 2.01, 27.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 PRO 56 + HG2 PRO 56 OK 98 98 - 100 HG3 PRO 56 + HG3 PRO 56 OK 97 97 - 100 HG2 PRO 81 + HG2 PRO 81 OK 97 97 - 100 Reference assignment not found: HB3 PRO 56 - HG3 PRO 56 Peak 1787 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 98 98 - 100 HG2 PRO 58 + HG2 PRO 58 OK 26 26 - 100 Reference assignment not found: HG2 PRO 56 - HG3 PRO 56 Peak 1788 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 97 97 - 100 HG2 PRO 58 + HG2 PRO 58 OK 29 29 - 100 Peak 1789 from aliabs.peaks (3.66, 2.01, 27.39 ppm; 4.49 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 97 97 100 100 2.3-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 96 96 100 100 2.3-3.0 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 2.3-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 97 97 100 100 2.3-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 96 96 100 100 2.3-3.0 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 62 0 - 7.0-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 63 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(6) H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(8) H VAL 57 + HG2 PRO 58 OK 29 36 100 79 6.5-6.6 ~1794=36, ~10921=33...(4) H ALA 52 - HG2 PRO 56 far 0 84 0 - 9.7-10.8 H ALA 52 - HG2 PRO 58 far 0 26 0 - 9.8-11.1 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): 3 out of 5 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 100 100 2.7-2.7 3.0=100 HG3 PRO 58 + HA VAL 57 OK 67 68 100 99 4.5-4.6 ~9309=29, ~9308=29...(22) HB3 GLN 61 + HA VAL 57 OK 38 97 40 99 4.4-6.5 11310/3.2=33...(35) HB2 GLN 61 - HA VAL 57 far 0 99 0 - 4.8-6.2 HB VAL 112 - HA VAL 57 far 0 68 0 - 7.8-12.9 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 2 assignments used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 100 100 3.1-3.1 3.2=100 QD2 LEU 123 - HA VAL 57 far 0 71 0 - 9.8-12.3 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 7 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 100 100 2.2-2.2 3.2=100 QD1 LEU 62 - HA VAL 57 far 3 60 5 - 4.3-7.0 QD1 LEU 119 - HA VAL 57 far 0 100 0 - 5.8-9.1 QG2 VAL 112 - HA VAL 57 far 0 85 0 - 7.0-11.4 QD2 LEU 53 - HA VAL 57 far 0 73 0 - 7.3-10.3 QG1 VAL 112 - HA VAL 57 far 0 76 0 - 7.3-11.1 QD1 LEU 49 - HA VAL 57 far 0 57 0 - 8.8-12.5 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 2.7-2.7 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 - 8.1-10.8 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 7 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 poor 15 60 25 - 2.9-5.4 QD1 LEU 119 - HB VAL 57 far 0 100 0 - 5.2-8.2 QD2 LEU 53 - HB VAL 57 far 0 73 0 - 5.6-9.6 QD1 LEU 49 - HB VAL 57 far 0 57 0 - 6.7-10.4 QG2 VAL 112 - HB VAL 57 far 0 85 0 - 8.0-12.0 QG1 VAL 112 - HB VAL 57 far 0 76 0 - 8.4-11.8 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 3.1-3.1 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): 2 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 OK 28 97 30 95 3.2-4.2 3.0/10936=27, 11310=24...(29) HB2 GLN 61 - QG2 VAL 57 far 5 99 5 - 3.4-5.5 HG3 PRO 58 - QG2 VAL 57 far 0 68 0 - 5.8-6.0 HB VAL 112 - QG2 VAL 57 far 0 68 0 - 7.2-10.8 HB VAL 118 - QG2 VAL 57 far 0 73 0 - 7.6-10.1 HB VAL 126 - QG2 VAL 57 far 0 85 0 - 9.7-10.9 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 2.1-2.1 2.1=100 QD1 LEU 62 + QG2 VAL 57 OK 41 60 80 86 2.0-4.0 2.1/9319=41, 2.1/9316=33...(10) QD1 LEU 119 - QG2 VAL 57 far 5 100 5 - 3.4-6.4 QD2 LEU 53 - QG2 VAL 57 far 0 73 0 - 3.5-6.4 QD1 LEU 49 - QG2 VAL 57 far 0 57 0 - 5.0-8.1 QG2 VAL 112 - QG2 VAL 57 far 0 85 0 - 6.7-9.9 QG1 VAL 112 - QG2 VAL 57 far 0 76 0 - 7.0-9.6 QD1 LEU 123 - QG2 VAL 57 far 0 89 0 - 7.1-8.4 QG2 VAL 126 - QG2 VAL 57 far 0 83 0 - 8.3-9.3 QG1 VAL 126 - QG2 VAL 57 far 0 93 0 - 8.6-9.7 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 2 assignments used, quality = 0.99: * HA VAL 57 + QG1 VAL 57 OK 99 100 100 99 2.2-2.2 3.2=89, 3.0/6707=41...(13) HA HIS 3 - QG1 VAL 105 far 0 40 0 - 8.7-56.6 Violated in 0 structures by 0.00 A. Peak 1809 from aliabs.peaks (2.09, 0.94, 21.27 ppm; 2.76 A): 3 out of 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 OK 73 97 80 94 3.2-4.0 3.0/9377=29...(29) HB2 GLN 61 + QG1 VAL 57 OK 47 99 50 96 3.2-4.3 3.0/9377=29...(35) HG3 PRO 58 - QG1 VAL 57 far 0 68 0 - 4.1-4.4 HB2 GLU 102 - QG1 VAL 105 far 0 64 0 - 5.5-7.1 HB VAL 118 - QG1 VAL 105 far 0 42 0 - 8.5-11.2 HB VAL 112 - QG1 VAL 57 far 0 68 0 - 8.5-12.6 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 7 assignments used, quality = 1.00: * QG2 VAL 57 + QG1 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 98 - QG1 VAL 105 far 0 67 0 - 6.7-9.4 QD2 LEU 22 - QG1 VAL 105 far 0 55 0 - 6.8-30.4 QD2 LEU 70 - QG1 VAL 105 far 0 67 0 - 6.9-10.4 QD2 LEU 123 - QG1 VAL 57 far 0 71 0 - 7.1-9.4 QD2 LEU 98 - QG1 VAL 105 far 0 40 0 - 8.1-10.9 QD2 LEU 69 - QG1 VAL 57 far 0 98 0 - 9.3-10.9 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 2.3-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1813 from aliabs.peaks (3.62, 4.59, 58.62 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HA VAL 57 OK 100 100 100 100 2.3-2.6 3.8=100 HD3 PRO 56 - HA VAL 57 far 0 63 0 - 6.0-6.9 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 2.3-2.6 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 2.3-2.6 3.8=100 HA LEU 62 - HA VAL 57 far 0 90 0 - 7.8-9.2 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 3.6-4.1 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HG2 PRO 113 - HD2 PRO 58 far 0 89 0 - 7.5-14.0 HG LEU 53 - HD2 PRO 58 far 0 95 0 - 9.1-13.4 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 3.0-3.9 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 95 100 95 100 3.0-6.3 10935=98, 10937/9309=83...(16) 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 2.3-3.0 2.3=100 HB3 PRO 56 - HD2 PRO 58 far 0 68 0 - 6.1-6.9 HG2 PRO 56 - HD2 PRO 58 far 0 85 0 - 7.0-7.5 HB3 GLU 55 - HD2 PRO 58 far 0 92 0 - 7.8-9.8 HG3 PRO 56 - HD2 PRO 58 far 0 90 0 - 8.4-8.9 HB VAL 63 - HD2 PRO 58 far 0 100 0 - 8.6-10.6 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 5 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 57 + HD2 PRO 58 OK 68 68 100 100 1.9-3.6 2.1/9309=92, 2.1/9306=86...(22) HB2 LEU 62 - HD2 PRO 58 far 0 99 0 - 6.5-9.1 HB3 GLU 55 - HD2 PRO 58 far 0 78 0 - 7.8-9.8 HG3 PRO 113 - HD2 PRO 58 far 0 99 0 - 8.8-15.0 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 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 1824 from aliabs.peaks (4.45, 3.82, 50.62 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.6-4.1 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HG2 PRO 113 - HD3 PRO 58 far 0 89 0 - 7.7-13.3 HG LEU 53 - HD3 PRO 58 far 0 95 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 1826 from aliabs.peaks (2.41, 3.82, 50.62 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HG3 GLN 61 + HD3 PRO 58 OK 55 100 55 100 2.0-6.4 10935/1.8=75...(15) 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 6 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 56 - HD3 PRO 58 far 0 68 0 - 5.8-6.9 HG2 PRO 56 - HD3 PRO 58 far 0 85 0 - 6.6-7.5 HG3 PRO 56 - HD3 PRO 58 far 0 90 0 - 8.0-9.0 HB3 GLU 55 - HD3 PRO 58 far 0 92 0 - 8.7-9.8 HB VAL 63 - HD3 PRO 58 far 0 100 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 1828 from aliabs.peaks (2.06, 3.82, 50.62 ppm; 4.09 A): 2 out of 5 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 57 + HD3 PRO 58 OK 68 68 100 100 1.9-3.7 2.1/9308=85, 4.8=61...(21) HB2 LEU 62 - HD3 PRO 58 far 0 99 0 - 7.2-8.7 HG3 PRO 113 - HD3 PRO 58 far 0 99 0 - 8.6-14.3 HB3 GLU 55 - HD3 PRO 58 far 0 78 0 - 8.7-9.8 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 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 1830 from aliabs.peaks (3.82, 3.82, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 58 + HD3 PRO 58 OK 100 100 - 100 Peak 1832 from aliabs.peaks (4.45, 4.45, 62.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HA PRO 58 OK 100 100 - 100 Peak 1833 from aliabs.peaks (1.95, 4.45, 62.57 ppm; 3.59 A): 1 out of 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 - 4.9-12.0 Violated in 0 structures by 0.00 A. Peak 1834 from aliabs.peaks (2.41, 4.45, 62.57 ppm; 3.38 A): 1 out of 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 - 5.0-7.5 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 - 6.7-7.5 HB VAL 63 - HA PRO 58 far 0 100 0 - 8.1-9.5 HG2 PRO 56 - HA PRO 58 far 0 85 0 - 8.5-9.1 HG3 PRO 56 - HA PRO 58 far 0 90 0 - 9.4-10.0 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 5 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 66 68 100 97 4.6-4.7 2.1/10926=59, ~10929=48...(7) HB2 LEU 62 - HA PRO 58 far 0 99 0 - 6.3-7.3 HG3 PRO 113 - HA PRO 58 far 0 99 0 - 6.6-12.6 HB VAL 118 - HA PRO 58 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1837 from aliabs.peaks (3.62, 4.45, 62.57 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HA PRO 58 OK 100 100 100 100 3.6-4.1 3.6=100 HD3 PRO 56 - HA PRO 58 far 0 63 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1838 from aliabs.peaks (3.82, 4.45, 62.57 ppm; 6.13 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 58 + HA PRO 58 OK 100 100 100 100 3.6-4.1 3.6=100 HA LEU 62 - HA PRO 58 far 0 90 0 - 7.9-8.8 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 - 9.6-10.5 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 15 51 40 75 2.7-5.9 3.5/11248=22...(12) HG3 GLN 61 - HB2 PRO 58 far 0 100 0 - 4.1-6.9 HG2 GLN 82 - HB3 PRO 81 far 0 60 0 - 4.4-6.1 HG3 GLN 82 - HB3 LYS 86 far 0 37 0 - 5.7-9.6 HG3 GLU 97 - HB2 LYS 95 far 0 83 0 - 5.7-8.9 HG3 GLU 97 - HB3 LYS 95 far 0 90 0 - 5.9-9.3 HG3 GLU 128 - HB2 LYS 95 far 0 77 0 - 6.5-9.0 HG2 GLN 82 - HB3 LYS 86 far 0 44 0 - 7.0-10.0 HG3 GLU 128 - HB3 LYS 95 far 0 85 0 - 7.4-9.7 HG2 GLN 101 - HB3 LYS 95 far 0 76 0 - 9.0-11.1 HG2 GLN 101 - HB2 LYS 95 far 0 69 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 1843 from aliabs.peaks (2.03, 1.95, 32.16 ppm; 4.74 A): 5 out of 20 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 HG2 ARG 90 + HB3 LYS 86 OK 37 64 65 87 4.7-6.9 9662/9823=34...(12) HB3 GLU 91 - HB2 LYS 95 far 4 84 5 - 5.6-7.7 HB VAL 63 - HB2 PRO 58 far 0 100 0 - 6.8-7.8 HB3 GLU 91 - HB3 LYS 95 far 0 92 0 - 7.0-8.9 HG3 PRO 81 - HB3 LYS 86 far 0 42 0 - 7.6-10.4 HG3 ARG 135 - HB3 PRO 81 far 0 83 0 - 8.0-12.5 HG2 PRO 81 - HB3 LYS 86 far 0 47 0 - 8.1-9.9 HB3 GLU 91 - HB3 LYS 86 far 0 63 0 - 8.3-10.6 HB2 GLN 134 - HB3 PRO 81 far 0 83 0 - 8.4-15.3 HG3 ARG 135 - HB3 LYS 86 far 0 63 0 - 8.4-11.6 HB ILE 129 - HB2 LYS 95 far 0 57 0 - 8.6-9.8 HB3 PRO 56 - HB2 PRO 58 far 0 68 0 - 8.8-9.5 QE MET 11 - HB2 PRO 58 far 0 100 0 - 9.0-42.0 HB2 PRO 81 - HB3 LYS 86 far 0 28 0 - 9.1-10.9 HB ILE 129 - HB3 LYS 95 far 0 63 0 - 9.6-10.9 HG2 ARG 90 - HB2 LYS 95 far 0 85 0 - 9.7-11.3 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 17 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 37 51 90 81 3.6-5.6 3.0/11264=41...(11) HG3 GLU 91 - HB2 LYS 95 far 0 48 0 - 4.8-6.5 HB VAL 57 - HB2 PRO 58 far 0 68 0 - 5.1-5.3 HG3 GLU 91 - HB3 LYS 95 far 0 54 0 - 6.1-7.6 HB2 GLU 128 - HB2 LYS 95 far 0 71 0 - 6.2-8.0 HB3 GLN 82 - HB3 LYS 86 far 0 37 0 - 6.2-8.2 HB2 LEU 62 - HB2 PRO 58 far 0 99 0 - 6.4-7.7 HB3 LYS 39 - HB3 PRO 81 far 0 73 0 - 6.6-12.4 HB2 GLU 128 - HB3 LYS 95 far 0 78 0 - 7.0-8.4 HG3 PRO 81 - HB3 LYS 86 far 0 56 0 - 7.6-10.4 HG3 GLN 134 - HB3 PRO 81 far 0 76 0 - 8.6-15.9 HB2 PRO 81 - HB3 LYS 86 far 0 45 0 - 9.1-10.9 HG3 PRO 113 - HB2 PRO 58 far 0 99 0 - 9.2-15.3 HB2 GLU 102 - HB3 LYS 95 far 0 76 0 - 9.3-11.9 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 3.9-4.0 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 7 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HA ARG 90 - HB2 LYS 95 far 0 63 0 - 7.0-8.3 HA LEU 62 - HB2 PRO 58 far 0 90 0 - 7.6-8.5 HA ARG 90 - HB3 LYS 86 far 0 46 0 - 7.7-8.9 HA VAL 118 - HB3 LYS 95 far 0 83 0 - 8.1-10.2 HA ARG 90 - HB3 LYS 95 far 0 70 0 - 8.7-9.7 HA VAL 118 - HB2 LYS 95 far 0 76 0 - 9.3-11.6 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 2 assignments used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 - HB3 PRO 58 far 0 89 0 - 6.8-13.8 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 - 7.6-8.4 HB VAL 63 - HB3 PRO 58 far 0 100 0 - 8.6-9.5 HG2 PRO 56 - HB3 PRO 58 far 0 85 0 - 9.0-9.7 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 4 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 - 5.2-5.5 HB2 LEU 62 - HB3 PRO 58 far 0 99 0 - 7.6-8.8 HG3 PRO 113 - HB3 PRO 58 far 0 99 0 - 8.5-14.5 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 3.0-3.9 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 3.0-3.9 3.0=100 HA LEU 62 - HB3 PRO 58 far 0 90 0 - 8.8-9.8 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 - 8.5-9.1 HA ASP 64 - HG2 PRO 58 far 0 100 0 - 9.0-9.9 HB THR 54 - HG3 PRO 56 far 0 33 0 - 9.3-9.7 HA PRO 58 - HG3 PRO 56 far 0 36 0 - 9.4-10.0 HB THR 54 - HG2 PRO 56 far 0 27 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 1857 from aliabs.peaks (1.95, 2.03, 27.78 ppm; 4.74 A): 3 out of 8 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 2.3-3.0 2.9=100 HB3 LYS 86 + HG2 ARG 90 OK 53 90 65 91 4.7-6.9 9823/9662=57...(12) HG2 PRO 113 - HG3 PRO 56 far 3 28 10 - 5.0-9.7 HG2 PRO 113 - HG2 PRO 56 far 0 23 0 - 6.1-10.5 HG2 PRO 113 - HG2 PRO 58 far 0 89 0 - 8.7-15.3 HB2 LYS 95 - HG2 ARG 90 far 0 86 0 - 9.7-11.3 HG LEU 53 - HG2 PRO 58 far 0 95 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 1858 from aliabs.peaks (2.41, 2.03, 27.78 ppm; 3.71 A): 2 out of 7 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 OK 66 100 75 87 1.9-4.9 10935/2.3=40, ~10934=29...(12) HG3 GLU 97 - HG2 ARG 90 far 0 90 0 - 8.6-10.9 HG3 GLN 61 - HG2 PRO 56 far 0 29 0 - 8.8-10.6 HB3 PRO 58 - HG2 PRO 56 far 0 29 0 - 9.0-9.7 HG3 GLU 128 - HG2 ARG 90 far 0 85 0 - 9.2-12.8 HG3 GLN 82 - HG2 ARG 90 far 0 58 0 - 9.8-14.3 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): 2 out of 10 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 OK 30 68 50 88 3.5-3.9 ~9309=20, ~9308=20...(18) HB3 GLU 55 - HG3 PRO 56 far 0 23 0 - 5.6-6.6 HB2 LEU 62 - HG2 PRO 58 far 0 99 0 - 6.1-7.3 HG3 PRO 113 - HG3 PRO 56 far 0 35 0 - 6.3-10.3 HG3 PRO 113 - HG2 PRO 56 far 0 28 0 - 7.1-11.6 HG3 GLU 91 - HG2 ARG 90 far 0 54 0 - 7.5-8.8 HG3 PRO 58 - HG2 PRO 56 far 0 29 0 - 8.9-9.5 HB2 GLU 128 - HG2 ARG 90 far 0 78 0 - 9.6-13.3 HB3 GLU 55 - HG2 PRO 58 far 0 78 0 - 9.9-11.5 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 2.3-3.0 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 29 0 - 7.0-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 36 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 90 + HG2 ARG 90 OK 70 70 100 100 2.5-3.7 3.8=100 HA LEU 62 - HG2 PRO 58 far 0 90 0 - 6.5-7.6 HD3 PRO 58 - HG2 PRO 56 far 0 29 0 - 6.6-7.5 HD3 PRO 58 - HG3 PRO 56 far 0 36 0 - 8.0-9.0 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 HA PRO 58 - HG3 PRO 113 far 4 76 5 - 6.6-12.6 HB THR 54 - HB2 GLN 127 far 0 70 0 - 10.0-13.7 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 5 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 - 7.1-10.8 HG2 PRO 113 - HG3 PRO 58 far 0 89 0 - 8.7-15.2 HB2 PRO 58 - HG3 PRO 113 far 0 76 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 1866 from aliabs.peaks (2.41, 2.06, 27.78 ppm; 4.15 A): 2 out of 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 OK 28 100 30 92 3.3-6.4 10935/2.3=52, ~10934=37...(12) HG3 GLU 128 - HB2 GLN 127 far 3 67 5 - 3.9-7.0 HB3 PRO 58 - HG3 PRO 113 far 0 76 0 - 8.5-14.5 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 - 5.0-9.9 HG3 PRO 56 - HG3 PRO 113 far 0 63 0 - 6.3-10.3 HG2 PRO 56 - HG3 PRO 113 far 0 58 0 - 7.1-11.6 HB ILE 129 - HB2 GLN 127 far 0 48 0 - 7.1-7.6 HB3 PRO 56 - HG3 PRO 58 far 0 68 0 - 8.0-8.6 HB VAL 63 - HG3 PRO 58 far 0 100 0 - 8.5-9.3 HG2 PRO 56 - HG3 PRO 58 far 0 85 0 - 8.9-9.5 HG3 ARG 135 - HB2 GLN 127 far 0 74 0 - 9.4-15.5 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 3 assignments used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 56 - HG3 PRO 113 far 0 41 0 - 6.3-10.9 HD2 PRO 58 - HG3 PRO 113 far 0 76 0 - 8.8-15.0 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 5 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 SER 50 + HB2 GLN 127 OK 23 74 35 90 4.8-7.0 10419/4.5=33...(13) HB2 SER 130 - HB2 GLN 127 far 0 76 0 - 6.0-8.5 HA LEU 62 - HG3 PRO 58 far 0 90 0 - 8.2-9.4 HD3 PRO 58 - HG3 PRO 113 far 0 76 0 - 8.6-14.3 Violated in 0 structures by 0.00 A. Peak 1873 from aliabs.peaks (4.33, 4.33, 56.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ASN 59 + HA ASN 59 OK 100 100 - 100 HA LYS 24 + HA LYS 24 OK 90 90 - 100 HA ASP 47 + HA ASP 47 OK 60 60 - 100 Peak 1874 from aliabs.peaks (2.61, 4.33, 56.25 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 71 - HA LYS 24 far 0 91 0 - 5.8-30.2 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 3 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 73 0 - 5.3-9.2 HB3 ASP 131 - HA ASP 47 far 0 53 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 1880 from aliabs.peaks (2.06, 4.33, 56.25 ppm; 3.52 A): 1 out of 14 assignments used, quality = 0.99: * HB2 LEU 62 + HA ASN 59 OK 99 100 100 99 2.8-4.0 3.2/9388=48, 1.8/9360=39...(24) QE MET 11 - HA LYS 24 far 2 47 5 - 4.3-25.4 HB VAL 118 - HA ASN 59 far 0 99 0 - 6.2-8.3 HB2 GLN 127 - HA ASP 47 far 0 56 0 - 6.2-8.8 HG3 PRO 58 - HA ASN 59 far 0 99 0 - 6.7-7.0 HG3 PRO 58 - HA LYS 24 far 0 90 0 - 6.8-43.6 HB3 GLU 44 - HA ASP 47 far 0 50 0 - 7.4-8.5 HB3 GLN 27 - HA LYS 24 far 0 90 0 - 7.4-13.2 HB3 GLU 44 - HA LYS 24 far 0 80 0 - 7.8-31.8 HG3 PRO 113 - HA ASN 59 far 0 100 0 - 8.0-13.6 HG3 GLN 134 - HA ASP 47 far 0 45 0 - 9.0-12.6 QE MET 11 - HA ASN 59 far 0 57 0 - 9.2-42.2 HB2 GLU 102 - HA ASN 59 far 0 73 0 - 9.3-12.5 HB2 GLU 128 - HA ASP 47 far 0 39 0 - 9.9-12.3 Violated in 1 structures by 0.02 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 2.5-5.1 1980=100, 1.8/1880=100...(23) QG2 THR 115 + HA ASN 59 OK 24 92 55 48 5.2-9.0 10195/11837=25...(3) HG12 ILE 32 - HA LYS 24 far 4 85 5 - 4.7-18.8 QG2 THR 18 - HA LYS 24 far 0 66 0 - 7.0-13.3 QG2 VAL 132 - HA ASP 47 far 0 60 0 - 9.8-11.1 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 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1884 from aliabs.peaks (2.61, 2.61, 38.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB2 ASN 59 OK 100 100 - 100 Peak 1885 from aliabs.peaks (2.87, 2.61, 38.13 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HB2 ASN 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 116 - HB2 ASN 59 far 0 73 0 - 4.5-8.2 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 2.3-3.0 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 8 assignments used, quality = 1.00: * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 107 - HA SER 60 poor 19 97 20 - 2.9-11.6 HA ALA 41 - HA ILE 37 far 0 69 0 - 5.3-6.3 HA3 GLY 75 - HA ILE 37 far 0 60 0 - 6.1-9.8 HA2 GLY 111 - HA SER 60 far 0 76 0 - 6.2-14.2 HB2 SER 33 - HA ILE 37 far 0 71 0 - 7.2-9.3 HA LEU 70 - HA ILE 37 far 0 39 0 - 9.4-12.8 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 8 assignments used, quality = 1.00: HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 107 - HA SER 60 poor 19 97 20 - 2.9-11.6 HA ALA 41 - HA ILE 37 far 0 69 0 - 5.3-6.3 HA3 GLY 75 - HA ILE 37 far 0 60 0 - 6.1-9.8 HA2 GLY 111 - HA SER 60 far 0 76 0 - 6.2-14.2 HB2 SER 33 - HA ILE 37 far 0 71 0 - 7.2-9.3 HA LEU 70 - HA ILE 37 far 0 39 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 1902 from aliabs.peaks (2.02, 4.01, 60.84 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 63 + HA SER 60 OK 100 100 100 100 2.3-3.2 2020=100, 2.1/10978=72...(12) QE MET 11 - HA SER 60 far 0 99 0 - 5.4-39.7 HG2 PRO 58 - HA SER 60 far 0 100 0 - 5.5-6.1 HB3 GLU 40 - HA ILE 37 far 0 71 0 - 6.7-9.6 HB2 GLU 44 - HA ILE 37 far 0 71 0 - 7.7-10.1 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 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 100 0 - 8.8-11.7 HA LEU 103 - HB3 SER 60 far 0 100 0 - 9.2-12.7 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 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 100 0 - 8.8-11.7 HA LEU 103 - HB3 SER 60 far 0 100 0 - 9.2-12.7 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 2.4-3.0 3.0=100 HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 57 - HA GLN 61 far 0 99 0 - 4.9-6.0 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 2.5-3.0 3.0=100 HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 - HA GLN 61 far 0 97 0 - 4.9-6.0 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 2.4-3.9 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 2 assignments used, quality = 1.00: * HG3 GLN 61 + HA GLN 61 OK 100 100 100 100 3.2-3.7 3.8=100 HB3 PRO 58 - HA GLN 61 far 0 100 0 - 6.5-7.3 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 2.9-5.0 2047=100, 1.8/2053=90...(5) Violated in 2 structures by 0.06 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 3.2-4.1 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 11 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HA THR 25 - HB2 GLN 61 far 0 97 0 - 6.0-40.9 HA ALA 108 - HB2 GLU 102 far 0 72 0 - 6.5-13.1 HA ALA 110 - HB3 GLN 61 far 0 99 0 - 6.9-17.8 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 7.2-16.5 HA ASP 131 - HB2 GLU 128 far 0 34 0 - 7.6-8.2 HA THR 25 - HB3 GLN 61 far 0 96 0 - 7.6-41.5 HA PHE 87 - HB3 GLN 82 far 0 69 0 - 9.5-11.4 HA ALA 108 - HB3 GLN 61 far 0 100 0 - 9.8-15.8 HA LYS 26 - HB2 GLN 61 far 0 97 0 - 10.0-39.8 Violated in 0 structures by 0.00 A. Peak 1927 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 70 70 - 100 HB2 GLU 102 + HB2 GLU 102 OK 60 60 - 100 HB2 GLU 128 + HB2 GLU 128 OK 55 55 - 100 Peak 1928 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 67 67 - 100 HB2 GLU 102 + HB2 GLU 102 OK 55 55 - 100 HB2 GLU 128 + HB2 GLU 128 OK 51 51 - 100 Reference assignment not found: HB3 GLN 61 - HB2 GLN 61 Peak 1929 from aliabs.peaks (2.28, 2.10, 28.56 ppm; 3.72 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 5 55 10 - 4.0-6.0 HB VAL 132 - HB2 GLU 128 far 0 69 0 - 5.7-8.2 HB VAL 105 - HB2 GLU 102 far 0 61 0 - 6.6-7.5 HB VAL 132 - HB3 GLN 82 far 0 74 0 - 7.3-11.3 HB3 PRO 113 - HB2 GLN 61 far 0 99 0 - 9.1-16.3 Violated in 0 structures by 0.00 A. Peak 1930 from aliabs.peaks (2.41, 2.10, 28.56 ppm; 3.79 A): 5 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.2-2.8 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 2.4-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 39 39 100 100 2.3-3.0 2.9=100 HG2 GLN 101 - HB2 GLU 102 poor 17 53 60 54 3.0-7.8 7450/3.8=33...(8) HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 4.7-6.1 HB3 PRO 58 - HB3 GLN 61 far 0 100 0 - 4.9-7.4 HG2 GLN 104 - HB2 GLU 102 far 0 40 0 - 5.9-6.9 HG3 GLU 97 - HB2 GLU 102 far 0 71 0 - 7.9-12.6 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 10 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 25 - HB2 GLN 61 far 0 96 0 - 6.0-40.9 HA ALA 108 - HB2 GLU 102 far 0 60 0 - 6.5-13.1 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 6.9-17.8 HA ALA 110 - HB2 GLN 61 far 0 99 0 - 7.2-16.5 HA THR 25 - HB3 GLN 61 far 0 97 0 - 7.6-41.5 HA PHE 87 - HB3 GLN 82 far 0 63 0 - 9.5-11.4 HA ALA 108 - HB3 GLN 61 far 0 100 0 - 9.8-15.8 HA LYS 26 - HB2 GLN 61 far 0 96 0 - 10.0-39.8 Violated in 0 structures by 0.00 A. Peak 1936 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 64 64 - 100 HB2 GLU 102 + HB2 GLU 102 OK 49 49 - 100 Reference assignment not found: HB2 GLN 61 - HB3 GLN 61 Peak 1937 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 61 61 - 100 HB2 GLU 102 + HB2 GLU 102 OK 45 45 - 100 Peak 1938 from aliabs.peaks (2.28, 2.10, 28.56 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 4 45 10 - 4.0-6.0 HB VAL 105 - HB2 GLU 102 far 0 50 0 - 6.6-7.5 HB VAL 132 - HB3 GLN 82 far 0 67 0 - 7.3-11.3 HB3 PRO 113 - HB2 GLN 61 far 0 98 0 - 9.1-16.3 Violated in 0 structures by 0.00 A. Peak 1939 from aliabs.peaks (2.41, 2.10, 28.56 ppm; 3.76 A): 4 out of 9 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 42 42 100 100 2.4-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 35 35 100 100 2.3-3.0 2.9=100 HG2 GLN 101 - HB2 GLU 102 poor 14 43 60 53 3.0-7.8 7450/3.8=33...(8) HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 4.7-6.1 HB3 PRO 58 - HB3 GLN 61 far 0 100 0 - 4.9-7.4 HG2 GLN 104 - HB2 GLU 102 far 0 33 0 - 5.9-6.9 HG3 GLU 97 - HB2 GLU 102 far 0 59 0 - 7.9-12.6 Violated in 0 structures by 0.00 A. Peak 1944 from aliabs.peaks (4.28, 2.28, 33.67 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.97: * HA GLN 61 + HG2 GLN 61 OK 97 100 100 97 2.4-3.9 3.8=80, 1953/1.8=76...(5) HA THR 25 - HG2 GLN 61 far 0 97 0 - 5.5-39.1 HA LYS 26 - HG2 GLN 61 far 0 97 0 - 8.8-38.2 HA ALA 110 - HG2 GLN 61 far 0 100 0 - 9.6-18.2 Violated in 6 structures by 0.07 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 2.3-2.9 3.0=100 HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 + HG2 GLN 61 OK 29 99 30 99 2.3-5.3 2.1/9377=50...(30) 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 2.4-3.0 3.0=100 HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB VAL 57 + HG2 GLN 61 OK 29 97 30 99 2.3-5.3 2.1/9377=50...(30) 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 - 5.4-8.2 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 4 assignments used, quality = 0.94: * HA GLN 61 + HG3 GLN 61 OK 94 100 100 94 3.2-3.7 3.8=72, 1944/1.8=68...(4) HA THR 25 - HG3 GLN 61 far 0 97 0 - 6.0-40.6 HA ALA 110 - HG3 GLN 61 far 0 100 0 - 9.1-17.1 HA LYS 26 - HG3 GLN 61 far 0 97 0 - 9.7-39.5 Violated in 16 structures by 0.12 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 2.2-3.0 3.0=100 HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-2.8 3.0=100 HB VAL 57 + HG3 GLN 61 OK 98 99 100 99 2.4-3.9 2.1/10936=50...(31) 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 2.2-2.8 3.0=100 HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 96 97 100 99 2.4-3.9 2.1/10936=50...(31) 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 2 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 113 - HG3 GLN 61 far 0 99 0 - 9.3-16.8 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 11 55 20 - 4.1-6.4 HB2 LEU 62 - HA LEU 123 far 0 59 0 - 7.2-10.0 HB2 GLU 128 - HA LEU 123 far 0 38 0 - 7.3-9.3 HB VAL 118 - HA LEU 62 far 0 99 0 - 8.0-10.2 HG3 PRO 58 - HA LEU 62 far 0 99 0 - 8.2-9.4 QE MET 11 - HA LEU 62 far 0 57 0 - 8.7-39.9 HB3 GLU 55 - HA LEU 62 far 0 90 0 - 8.7-11.7 HB VAL 118 - HA LEU 123 far 0 56 0 - 9.0-10.1 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 3 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 62 - HA LEU 123 far 0 59 0 - 6.8-8.9 QG2 THR 115 - HA LEU 62 far 0 92 0 - 9.2-12.8 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 9 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.6-3.4 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 - 6.7-8.8 HB2 LEU 69 - HA LEU 123 far 0 58 0 - 8.0-9.9 HG LEU 62 - HA LEU 123 far 0 59 0 - 8.3-9.9 HG LEU 119 - HA LEU 123 far 0 38 0 - 8.3-10.0 HB2 LEU 69 - HA LEU 62 far 0 100 0 - 8.5-10.9 HB2 LEU 123 - HA LEU 62 far 0 100 0 - 8.6-11.1 HD2 LYS 26 - HA LEU 62 far 0 93 0 - 9.5-41.5 Violated in 0 structures by 0.00 A. Peak 1966 from aliabs.peaks (0.68, 3.83, 57.95 ppm; 3.85 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 62 + HA LEU 62 OK 100 100 100 100 1.9-2.6 1998=100, 2.1/1967=75...(17) QD2 LEU 100 + HA LEU 62 OK 29 100 35 84 4.0-5.8 9386/4.9=39...(10) QD2 LEU 62 - HA LEU 123 far 0 59 0 - 5.2-6.5 QD2 LEU 100 - HA LEU 123 far 0 59 0 - 6.1-8.6 QD1 ILE 129 - HA LEU 123 far 0 33 0 - 6.5-7.7 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 17 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 99 100 100 99 3.7-4.0 2.1/1998=81, 4.1=75...(11) QD1 LEU 123 + HA LEU 123 OK 52 52 100 100 2.0-3.5 4.0=78, 3954/3.0=61...(25) QD1 LEU 49 - HA LEU 123 poor 14 59 50 48 2.3-6.0 2.1/10939=16, 3934/3.0=9...(11) QD1 LEU 49 - HA LEU 62 far 10 100 10 - 3.0-6.6 QG2 VAL 63 - HA LEU 62 far 0 100 0 - 4.7-5.3 QD1 LEU 48 - HA LEU 62 far 0 100 0 - 5.0-8.0 QD2 LEU 48 - HA LEU 62 far 0 87 0 - 5.4-6.8 QG1 VAL 57 - HA LEU 62 far 0 60 0 - 5.5-6.9 QD1 LEU 62 - HA LEU 123 far 0 59 0 - 5.6-8.4 QG1 VAL 118 - HA LEU 62 far 0 83 0 - 5.7-8.1 QD1 LEU 119 - HA LEU 62 far 0 71 0 - 6.1-8.2 QG1 VAL 118 - HA LEU 123 far 0 42 0 - 6.3-7.7 QD1 LEU 119 - HA LEU 123 far 0 35 0 - 7.7-9.1 QD1 LEU 48 - HA LEU 123 far 0 58 0 - 7.8-10.8 QD1 LEU 123 - HA LEU 62 far 0 96 0 - 8.0-9.7 QD2 LEU 48 - HA LEU 123 far 0 45 0 - 8.1-9.8 QG2 VAL 63 - HA LEU 123 far 0 58 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1970 from aliabs.peaks (4.06, 3.83, 57.95 ppm; 4.60 A): 2 out of 7 assignments used, quality = 1.00: * HB THR 65 + HA LEU 62 OK 100 100 100 100 2.5-3.6 2.1/10993=81, 2067=73...(11) HA LEU 122 + HA LEU 123 OK 33 35 100 96 4.8-4.9 4.9=85, 11604/10393=29...(8) HA LEU 96 - HA LEU 123 far 0 53 0 - 6.5-8.2 HB THR 65 - HA LEU 123 far 0 59 0 - 7.3-9.3 HA GLN 104 - HA LEU 62 far 0 73 0 - 8.4-10.3 HA LEU 122 - HA LEU 62 far 0 71 0 - 8.5-10.8 HA ALA 92 - HA LEU 123 far 0 54 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1971 from aliabs.peaks (4.33, 2.06, 42.10 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB2 LEU 62 OK 100 100 100 100 2.8-4.0 1880=100, 9360/1.8=94...(26) 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 - 7.2-10.0 HD3 PRO 58 - HB2 LEU 62 far 0 90 0 - 7.2-8.7 HA VAL 118 - HB2 LEU 62 far 0 57 0 - 8.1-9.7 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 - 7.0-10.8 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 38 76 50 100 5.0-7.4 2.9/10951=69, ~10992=60...(22) HB2 LEU 123 - HB2 LEU 62 far 0 100 0 - 8.0-11.6 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 2.2-3.2 3.1=100 QD2 LEU 100 + HB2 LEU 62 OK 84 100 100 84 3.3-5.7 1986/1.8=39...(9) Violated in 0 structures by 0.00 A. Peak 1978 from aliabs.peaks (0.91, 2.06, 42.10 ppm; 4.25 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.0-2.7 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 99 100 100 99 2.9-4.3 11012/1.8=84...(14) QD1 LEU 119 + HB2 LEU 62 OK 39 71 55 99 4.3-6.4 3.0/10951=51, ~10992=44...(31) QG1 VAL 118 - HB2 LEU 62 poor 12 83 35 43 4.2-6.5 11822/11826=16...(9) QD1 LEU 49 - HB2 LEU 62 far 10 100 10 - 5.0-8.3 QG1 VAL 57 - HB2 LEU 62 far 0 60 0 - 6.2-7.5 QD1 LEU 48 - HB2 LEU 62 far 0 100 0 - 7.5-10.5 QD2 LEU 48 - HB2 LEU 62 far 0 87 0 - 7.7-9.2 QG2 VAL 112 - HB2 LEU 62 far 0 97 0 - 8.0-11.0 QD1 LEU 123 - HB2 LEU 62 far 0 96 0 - 8.4-10.6 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 2.5-5.1 1880/1.8=100, 9360=99...(23) 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 2.4-3.0 3.0=100 HA LEU 123 - HB3 LEU 62 far 0 90 0 - 6.8-8.9 HD3 PRO 58 - HB3 LEU 62 far 0 90 0 - 7.3-9.6 HA VAL 118 - HB3 LEU 62 far 0 57 0 - 7.3-9.2 HB2 SER 50 - HB3 LEU 62 far 0 97 0 - 9.4-13.1 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 6 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 5 99 5 - 5.5-7.8 HG3 PRO 58 - HB3 LEU 62 far 0 99 0 - 7.3-10.2 QE MET 11 - HB3 LEU 62 far 0 57 0 - 9.2-40.8 HB2 GLU 102 - HB3 LEU 62 far 0 73 0 - 9.5-12.2 HB3 GLU 55 - HB3 LEU 62 far 0 90 0 - 9.5-12.4 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 2.6-3.0 3.0=100 HG LEU 119 + HB3 LEU 62 OK 30 76 40 100 4.8-7.1 ~10992=59, ~10951=50...(24) HB2 LEU 123 - HB3 LEU 62 far 0 100 0 - 7.3-10.1 HB2 LEU 69 - HB3 LEU 62 far 0 100 0 - 9.0-11.9 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 2.1-3.1 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 83 100 100 83 2.6-5.3 2003/11012=34...(7) Violated in 0 structures by 0.00 A. Peak 1987 from aliabs.peaks (0.91, 1.14, 42.10 ppm; 4.27 A): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.0-2.8 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 100 100 100 100 3.8-4.3 11012=100, 6810/4.5=51...(13) QD1 LEU 119 + HB3 LEU 62 OK 24 71 35 99 4.3-6.7 ~10992=44, ~10951=36...(29) QG1 VAL 118 + HB3 LEU 62 OK 24 83 75 38 3.7-6.1 11822/11823=25...(7) QD1 LEU 49 - HB3 LEU 62 far 10 100 10 - 3.8-8.5 QG1 VAL 57 - HB3 LEU 62 far 0 60 0 - 5.9-7.9 QD1 LEU 48 - HB3 LEU 62 far 0 100 0 - 6.8-9.8 QD2 LEU 48 - HB3 LEU 62 far 0 87 0 - 7.3-8.6 QD1 LEU 123 - HB3 LEU 62 far 0 96 0 - 7.5-9.7 QG2 VAL 112 - HB3 LEU 62 far 0 97 0 - 9.2-11.8 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 2.6-3.4 3.7=100 HD3 PRO 58 - HG LEU 62 far 14 90 15 - 5.3-6.9 HA LEU 123 - HG LEU 62 far 0 90 0 - 8.3-9.9 HA VAL 118 - HG LEU 62 far 0 57 0 - 9.0-11.1 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 5 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 - 6.8-7.6 HB VAL 118 - HG LEU 62 far 0 99 0 - 7.0-9.5 HB3 GLU 55 - HG LEU 62 far 0 90 0 - 7.3-10.1 HG3 PRO 113 - HG LEU 62 far 0 100 0 - 9.3-14.5 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 2.6-3.0 3.0=100 QG2 THR 115 - HG LEU 62 far 0 92 0 - 7.4-10.4 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 - 5.0-7.2 Violated in 0 structures by 0.00 A. Peak 1995 from aliabs.peaks (0.91, 1.64, 26.16 ppm; 3.58 A): 2 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 QD1 LEU 119 + HG LEU 62 OK 24 71 35 97 4.0-6.3 2.1/10992=70, ~10951=17...(28) QG1 VAL 57 - HG LEU 62 poor 15 60 25 - 4.0-5.7 QD1 LEU 49 - HG LEU 62 far 0 100 0 - 4.8-8.3 QG2 VAL 63 - HG LEU 62 far 0 100 0 - 4.9-6.1 QG1 VAL 118 - HG LEU 62 far 0 83 0 - 5.3-8.1 QD2 LEU 48 - HG LEU 62 far 0 87 0 - 6.3-8.1 QD1 LEU 48 - HG LEU 62 far 0 100 0 - 6.8-9.7 QG2 VAL 112 - HG LEU 62 far 0 97 0 - 8.2-10.7 QD1 LEU 123 - HG LEU 62 far 0 96 0 - 8.3-10.1 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 11 assignments used, quality = 1.00: * HA LEU 62 + QD2 LEU 62 OK 100 100 100 100 1.9-2.6 1966=76, 1967/2.1=61...(16) HA LEU 62 - QD2 LEU 100 poor 17 83 20 - 4.0-5.8 HA LEU 123 - QD2 LEU 62 far 0 90 0 - 5.2-6.5 HD3 PRO 58 - QD2 LEU 62 far 0 90 0 - 5.5-7.3 HA LEU 123 - QD2 LEU 100 far 0 69 0 - 6.1-8.6 HA VAL 118 - QD2 LEU 100 far 0 41 0 - 6.4-7.9 HA VAL 118 - QD2 LEU 62 far 0 57 0 - 6.4-9.2 HB2 SER 50 - QD2 LEU 62 far 0 97 0 - 6.6-8.4 HD2 PRO 117 - QD2 LEU 62 far 0 81 0 - 9.3-11.9 HB2 SER 50 - QD2 LEU 100 far 0 76 0 - 9.6-12.6 HD3 PRO 58 - QD2 LEU 100 far 0 69 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1999 from aliabs.peaks (2.06, 0.68, 23.19 ppm; 3.60 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.2-3.2 3.1=100 HB2 LEU 62 + QD2 LEU 100 OK 29 83 55 64 3.3-5.7 1.8/1986=23, 1977=20...(8) HB VAL 118 - QD2 LEU 62 far 0 99 0 - 5.1-8.4 HB VAL 118 - QD2 LEU 100 far 0 79 0 - 5.2-6.8 HB3 GLU 55 - QD2 LEU 62 far 0 90 0 - 5.4-8.1 HB2 GLU 102 - QD2 LEU 100 far 0 54 0 - 6.0-7.7 QE MET 11 - QD2 LEU 100 far 0 41 0 - 6.2-35.2 HG3 PRO 58 - QD2 LEU 62 far 0 99 0 - 7.0-8.0 HB2 GLN 127 - QD2 LEU 62 far 0 98 0 - 8.9-11.4 QE MET 11 - QD2 LEU 62 far 0 57 0 - 9.0-34.8 HB2 GLU 102 - QD2 LEU 62 far 0 73 0 - 9.0-12.3 HG3 PRO 113 - QD2 LEU 62 far 0 100 0 - 9.0-11.8 HG2 PRO 117 - QD2 LEU 100 far 0 81 0 - 9.1-10.6 HG2 PRO 117 - QD2 LEU 62 far 0 99 0 - 9.4-11.8 HG3 PRO 58 - QD2 LEU 100 far 0 81 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2000 from aliabs.peaks (1.14, 0.68, 23.19 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-3.1 3.1=100 HB3 LEU 62 + QD2 LEU 100 OK 46 83 80 70 2.6-5.3 1986=28, 11012/2003=25...(7) QG2 THR 115 - QD2 LEU 62 far 0 92 0 - 6.6-9.6 QG2 THR 115 - QD2 LEU 100 far 0 71 0 - 8.4-10.7 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 11 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 119 - QD2 LEU 62 poor 15 76 20 - 3.7-6.4 HG LEU 62 - QD2 LEU 100 far 0 83 0 - 5.0-7.2 HB2 LEU 69 - QD2 LEU 100 far 0 82 0 - 5.3-8.9 HB2 LEU 123 - QD2 LEU 62 far 0 100 0 - 5.4-7.6 HG LEU 119 - QD2 LEU 100 far 0 56 0 - 5.5-8.7 HB2 LEU 123 - QD2 LEU 100 far 0 82 0 - 7.1-10.1 HB2 LEU 98 - QD2 LEU 100 far 0 83 0 - 7.6-8.9 HB2 LEU 69 - QD2 LEU 62 far 0 100 0 - 8.1-9.9 HD2 LYS 26 - QD2 LEU 62 far 0 93 0 - 9.6-36.3 HD2 LYS 24 - QD2 LEU 100 far 0 69 0 - 10.0-33.8 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 20 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 75 82 100 91 2.3-3.3 2.1/10974=38...(22) QG1 VAL 118 - QD2 LEU 100 poor 19 62 30 - 3.1-4.4 QD1 LEU 119 - QD2 LEU 62 far 11 71 15 - 2.9-5.8 QD1 LEU 49 - QD2 LEU 62 far 10 100 10 - 2.4-5.7 QD1 LEU 62 - QD2 LEU 100 far 0 83 0 - 3.7-5.8 QG1 VAL 57 - QD2 LEU 62 far 0 60 0 - 3.9-4.6 QD1 LEU 49 - QD2 LEU 100 far 0 83 0 - 3.9-6.9 QD2 LEU 48 - QD2 LEU 62 far 0 87 0 - 4.3-6.2 QG1 VAL 118 - QD2 LEU 62 far 0 83 0 - 4.3-6.9 QD1 LEU 48 - QD2 LEU 62 far 0 100 0 - 4.5-7.5 QG2 VAL 63 - QD2 LEU 62 far 0 100 0 - 5.2-5.5 QD1 LEU 123 - QD2 LEU 62 far 0 96 0 - 5.4-7.0 QD1 LEU 119 - QD2 LEU 100 far 0 52 0 - 5.8-7.7 QD1 LEU 48 - QD2 LEU 100 far 0 82 0 - 6.7-9.9 QD1 LEU 123 - QD2 LEU 100 far 0 75 0 - 6.9-9.7 QD2 LEU 48 - QD2 LEU 100 far 0 66 0 - 7.2-9.2 QG2 VAL 112 - QD2 LEU 62 far 0 97 0 - 7.8-10.3 QG1 VAL 57 - QD2 LEU 100 far 0 43 0 - 8.0-9.6 QG2 VAL 112 - QD2 LEU 100 far 0 78 0 - 9.4-11.4 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 3.7-4.0 4.1=100 HD3 PRO 58 - QD1 LEU 62 far 0 90 0 - 5.3-7.3 HA VAL 118 - QD1 LEU 62 far 0 57 0 - 5.5-7.4 HA LEU 123 - QD1 LEU 62 far 0 90 0 - 5.6-8.4 HD2 PRO 117 - QD1 LEU 62 far 0 81 0 - 8.1-9.6 HB2 SER 50 - QD1 LEU 62 far 0 97 0 - 8.3-10.9 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 10 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.7 3.2=100 HB VAL 118 - QD1 LEU 62 poor 20 99 20 - 4.0-6.2 HG3 PRO 58 - QD1 LEU 62 far 0 99 0 - 6.1-8.2 HB3 GLU 55 - QD1 LEU 62 far 0 90 0 - 6.5-8.8 HG3 PRO 113 - QD1 LEU 62 far 0 100 0 - 7.5-10.7 HB2 GLU 102 - QD1 LEU 62 far 0 73 0 - 7.6-11.3 HG2 PRO 117 - QD1 LEU 62 far 0 99 0 - 8.0-9.6 HG3 PRO 117 - QD1 LEU 62 far 0 99 0 - 9.0-10.5 QE MET 11 - QD1 LEU 62 far 0 57 0 - 9.3-35.2 HB2 GLN 127 - QD1 LEU 62 far 0 98 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 2008 from aliabs.peaks (1.14, 0.91, 26.02 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.8 3.2=100 QG2 THR 115 - QD1 LEU 62 far 5 92 5 - 4.7-7.7 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 4 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 69 76 100 91 2.0-4.0 ~10992=33, 3.7/10954=29...(22) HB2 LEU 123 - QD1 LEU 62 far 0 100 0 - 5.5-7.9 HB2 LEU 69 - QD1 LEU 62 far 0 100 0 - 9.5-11.4 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 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 10 100 10 - 3.7-5.8 Violated in 0 structures by 0.00 A. Peak 2011 from aliabs.peaks (0.91, 0.91, 26.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + QD1 LEU 62 OK 100 100 - 100 Peak 2014 from aliabs.peaks (3.36, 3.36, 66.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 Peak 2015 from aliabs.peaks (2.02, 3.36, 66.55 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 11 - HA VAL 63 far 0 99 0 - 6.0-40.9 HG2 PRO 58 - HA VAL 63 far 0 100 0 - 8.8-9.4 HB3 LEU 53 - HA VAL 63 far 0 63 0 - 9.4-14.3 HB3 MET 11 - HA VAL 63 far 0 98 0 - 9.9-45.8 Violated in 0 structures by 0.00 A. Peak 2016 from aliabs.peaks (0.78, 3.36, 66.55 ppm; 3.29 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 100 100 2.2-2.7 3.2=100 QD1 LEU 103 - HA VAL 63 poor 20 100 20 - 3.0-5.9 QD1 LEU 122 - HA VAL 63 far 11 73 15 - 3.5-6.3 QD2 LEU 122 - HA VAL 63 far 5 100 5 - 4.0-6.5 QD2 LEU 49 - HA VAL 63 far 0 92 0 - 4.3-6.6 QD2 LEU 119 - HA VAL 63 far 0 99 0 - 5.5-9.7 QD1 LEU 96 - HA VAL 63 far 0 98 0 - 5.7-6.9 QD1 LEU 53 - HA VAL 63 far 0 97 0 - 6.3-11.5 QD1 ILE 32 - HA VAL 63 far 0 93 0 - 9.9-23.0 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 8 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 100 100 2.2-2.6 3.2=100 QG1 VAL 118 - HA VAL 63 far 0 89 0 - 5.2-6.7 QD1 LEU 62 - HA VAL 63 far 0 100 0 - 5.6-5.8 QD1 LEU 49 - HA VAL 63 far 0 100 0 - 5.6-8.4 QD1 LEU 119 - HA VAL 63 far 0 63 0 - 7.5-9.7 QD1 LEU 48 - HA VAL 63 far 0 100 0 - 7.7-10.4 QD2 LEU 123 - HA VAL 63 far 0 63 0 - 8.2-11.4 QD2 LEU 48 - HA VAL 63 far 0 92 0 - 8.6-10.0 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 3.0-4.0 6847/4.9=79, 6831/3.6=79...(19) Violated in 0 structures by 0.00 A. Peak 2020 from aliabs.peaks (4.01, 2.02, 31.42 ppm; 3.88 A): 1 out of 11 assignments used, quality = 1.00: * HA SER 60 + HB VAL 63 OK 100 100 100 100 2.3-3.2 1902=95, 10978/2.1=69...(12) HB3 SER 99 - HB3 PRO 117 far 0 43 0 - 6.0-8.4 HA LEU 103 - HB VAL 63 far 0 100 0 - 6.8-9.3 HA LEU 119 - HB3 PRO 117 far 0 39 0 - 7.8-8.2 HA LEU 103 - HB3 PRO 117 far 0 48 0 - 8.6-10.6 HB3 SER 124 - HB3 PRO 117 far 0 49 0 - 8.7-11.4 HA LEU 119 - HB VAL 63 far 0 90 0 - 8.8-10.6 HB2 SER 124 - HB3 PRO 117 far 0 35 0 - 9.1-11.2 HA LEU 122 - HB3 PRO 117 far 0 22 0 - 9.1-10.4 HA GLN 68 - HB VAL 63 far 0 99 0 - 9.1-10.6 HB3 SER 99 - HB VAL 63 far 0 96 0 - 9.9-12.3 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 4 83 5 - 4.9-7.0 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 14 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 5 100 5 - 4.0-6.7 QD2 LEU 119 - HB3 PRO 117 far 0 47 0 - 4.6-8.5 QD1 LEU 122 - HB VAL 63 far 0 73 0 - 5.8-8.5 QD2 LEU 122 - HB VAL 63 far 0 100 0 - 6.3-8.9 QD2 LEU 49 - HB VAL 63 far 0 92 0 - 6.3-8.6 QD2 LEU 119 - HB VAL 63 far 0 99 0 - 6.3-11.3 QD1 LEU 103 - HB3 PRO 117 far 0 49 0 - 6.5-10.4 QD2 LEU 122 - HB3 PRO 117 far 0 48 0 - 7.0-10.2 QD1 LEU 122 - HB3 PRO 117 far 0 30 0 - 7.1-9.8 QD1 LEU 53 - HB VAL 63 far 0 97 0 - 8.0-13.2 QD1 LEU 96 - HB VAL 63 far 0 98 0 - 8.2-9.4 QD1 LEU 53 - HB3 PRO 117 far 0 44 0 - 9.1-11.5 QD1 ILE 32 - HB VAL 63 far 0 93 0 - 9.8-23.6 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 16 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - HB3 PRO 117 far 0 24 0 - 5.6-7.7 QD1 LEU 62 - HB VAL 63 far 0 100 0 - 5.8-7.1 QG1 VAL 118 - HB3 PRO 117 far 0 38 0 - 5.8-6.2 QG1 VAL 118 - HB VAL 63 far 0 89 0 - 6.8-8.1 QD1 LEU 49 - HB VAL 63 far 0 100 0 - 7.3-10.4 QG2 VAL 112 - HB3 PRO 117 far 0 42 0 - 7.4-12.5 QD2 LEU 98 - HB3 PRO 117 far 0 24 0 - 7.9-11.9 QD1 LEU 119 - HB VAL 63 far 0 63 0 - 8.1-10.5 QD1 LEU 62 - HB3 PRO 117 far 0 49 0 - 8.4-9.6 QD2 LEU 123 - HB3 PRO 117 far 0 24 0 - 8.4-11.4 QD1 LEU 48 - HB VAL 63 far 0 100 0 - 8.6-11.0 QD2 LEU 48 - HB VAL 63 far 0 92 0 - 9.2-10.8 QD1 LEU 123 - HB3 PRO 117 far 0 40 0 - 9.4-11.3 QG2 VAL 112 - HB VAL 63 far 0 95 0 - 9.5-13.1 QD1 LEU 22 - HB VAL 63 far 0 76 0 - 9.6-36.7 Violated in 0 structures by 0.00 A. Peak 2028 from aliabs.peaks (3.36, 0.78, 21.57 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.2-2.7 3.2=91, 2034/2.1=63...(21) HB2 HIS 67 + QG1 VAL 63 OK 29 83 45 77 2.6-4.6 4.0/9406=31, 1.8/9468=19...(13) 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 4 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 11 - QG1 VAL 63 far 5 99 5 - 3.0-34.5 HB3 MET 11 - QG1 VAL 63 far 0 98 0 - 6.2-38.0 HG2 PRO 58 - QG1 VAL 63 far 0 100 0 - 7.7-8.6 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 12 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 - 5.6-6.5 QD1 LEU 62 - QG1 VAL 63 far 0 100 0 - 6.0-6.7 QD1 LEU 49 - QG1 VAL 63 far 0 100 0 - 6.6-9.0 QD1 LEU 119 - QG1 VAL 63 far 0 63 0 - 7.9-9.3 QD1 LEU 48 - QG1 VAL 63 far 0 100 0 - 7.9-10.0 QD2 LEU 48 - QG1 VAL 63 far 0 92 0 - 8.6-9.9 QD2 LEU 123 - QG1 VAL 63 far 0 63 0 - 8.9-11.7 QG2 VAL 112 - QG1 VAL 63 far 0 95 0 - 9.0-11.6 QD1 LEU 22 - QG1 VAL 63 far 0 76 0 - 9.3-29.6 QD2 LEU 98 - QG1 VAL 63 far 0 63 0 - 9.4-11.8 QG2 VAL 20 - QG1 VAL 63 far 0 89 0 - 9.7-26.0 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 2.2-2.6 3.2=91, 2028/2.1=49...(16) HB2 HIS 67 - QG2 VAL 63 far 0 83 0 - 4.7-7.2 HA VAL 63 - QD1 LEU 49 far 0 58 0 - 5.6-8.4 HB3 TYR 72 - QD1 LEU 49 far 0 39 0 - 5.8-10.0 HB2 HIS 67 - QD1 LEU 49 far 0 42 0 - 6.6-10.6 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 12 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 53 - QD1 LEU 49 far 1 30 5 - 3.6-8.7 HB2 GLN 127 - QD1 LEU 49 far 0 31 0 - 4.7-8.6 QE MET 11 - QG2 VAL 63 far 0 99 0 - 4.7-34.8 HB ILE 129 - QD1 LEU 49 far 0 43 0 - 5.7-8.7 HG2 PRO 58 - QG2 VAL 63 far 0 100 0 - 6.1-7.2 HB2 GLU 44 - QD1 LEU 49 far 0 58 0 - 7.2-10.2 HB VAL 63 - QD1 LEU 49 far 0 58 0 - 7.3-10.4 HB3 MET 11 - QG2 VAL 63 far 0 98 0 - 8.3-39.9 HG2 PRO 58 - QD1 LEU 49 far 0 57 0 - 8.4-11.8 HB3 GLU 55 - QD1 LEU 49 far 0 42 0 - 8.5-12.0 HB3 LEU 53 - QG2 VAL 63 far 0 63 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 2036 from aliabs.peaks (0.78, 0.91, 22.96 ppm; 2.50 A): 3 out of 19 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 OK 33 100 40 83 1.7-4.0 2.1/11822=19...(26) QD1 LEU 122 - QD1 LEU 49 poor 11 36 30 - 2.4-5.9 QD1 LEU 53 - QD1 LEU 49 poor 8 53 40 39 1.9-7.2 1674/3.2=9, 1672/3.2=8...(11) QD2 LEU 122 - QD1 LEU 49 far 6 58 10 - 2.4-6.6 QD1 LEU 96 - QD1 LEU 49 far 0 55 0 - 3.5-5.4 QD1 LEU 122 - QG2 VAL 63 far 0 73 0 - 3.8-6.0 QD2 LEU 122 - QG2 VAL 63 far 0 100 0 - 4.1-6.8 QD2 LEU 119 - QG2 VAL 63 far 0 99 0 - 4.2-8.0 QD2 LEU 49 - QG2 VAL 63 far 0 92 0 - 5.2-7.4 QD2 LEU 119 - QD1 LEU 49 far 0 56 0 - 5.8-9.2 QD1 LEU 53 - QG2 VAL 63 far 0 97 0 - 6.0-10.7 QD1 LEU 103 - QD1 LEU 49 far 0 58 0 - 6.1-8.8 QD1 LEU 96 - QG2 VAL 63 far 0 98 0 - 6.3-7.5 QG1 VAL 63 - QD1 LEU 49 far 0 58 0 - 6.6-9.0 QD1 ILE 32 - QD1 LEU 49 far 0 50 0 - 7.5-19.6 QD1 ILE 37 - QD1 LEU 49 far 0 50 0 - 8.6-12.5 QD1 ILE 32 - QG2 VAL 63 far 0 93 0 - 9.7-20.9 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 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 2045 from aliabs.peaks (3.34, 4.45, 57.70 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 67 + HA ASP 64 OK 100 100 100 100 2.6-4.3 2102=87, 1.8/2046=76...(9) HA VAL 63 + HA ASP 64 OK 83 83 100 100 4.7-4.9 3.2/10980=58, 4.9=57...(24) Violated in 0 structures by 0.00 A. Peak 2046 from aliabs.peaks (3.41, 4.45, 57.70 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 67 + HA ASP 64 OK 99 100 100 99 2.4-4.2 2110=80, 1.8/2102=71...(9) Violated in 2 structures by 0.01 A. Peak 2047 from aliabs.peaks (4.28, 2.75, 40.01 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.94: * HA GLN 61 + HB2 ASP 64 OK 94 100 95 99 2.9-5.0 1923=84, 2053/1.8=84...(5) HA THR 25 - HB2 ASP 64 far 0 97 0 - 6.4-35.1 HA LYS 26 - HB2 ASP 64 far 0 97 0 - 8.0-33.9 Violated in 2 structures by 0.09 A. Peak 2049 from aliabs.peaks (4.45, 2.75, 40.01 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 100 100 2.3-3.0 3.0=100 HA PRO 58 - HB2 ASP 64 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2050 from aliabs.peaks (2.75, 2.75, 40.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 64 + HB2 ASP 64 OK 100 100 - 100 Peak 2051 from aliabs.peaks (2.80, 2.75, 40.01 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 64 + HB2 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2053 from aliabs.peaks (4.28, 2.80, 40.01 ppm; 3.75 A): 1 out of 5 assignments used, quality = 0.96: * HA GLN 61 + HB3 ASP 64 OK 96 100 100 96 3.2-4.1 1924=73, 2047/1.8=65...(5) HA THR 25 - HB3 ASP 64 far 0 97 0 - 6.7-35.2 HA LYS 26 - HB3 ASP 64 far 0 97 0 - 8.4-33.8 HA ALA 15 - HB3 ASP 64 far 0 100 0 - 9.1-42.7 HA ARG 23 - HB3 ASP 64 far 0 100 0 - 9.5-35.0 Violated in 13 structures by 0.12 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 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2056 from aliabs.peaks (2.75, 2.80, 40.01 ppm; 2.72 A): 1 out of 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 2.9-3.0 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 2.0-2.5 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 3 assignments used, quality = 1.00: HG2 GLN 68 + HA THR 65 OK 99 100 100 100 1.9-4.9 1.8/11023=55...(19) * HB2 GLN 68 + HA THR 65 OK 89 100 90 99 2.2-5.6 1.8/2140=58...(18) HB3 GLN 104 - HA THR 65 far 0 100 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 2066 from aliabs.peaks (2.18, 3.97, 66.33 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HA THR 65 OK 100 100 100 100 3.2-5.4 2140=93, 3.0/11023=62...(19) HB3 LEU 69 + HA THR 65 OK 30 76 40 99 5.1-8.5 9443/2074=84, ~11055=35...(16) Violated in 4 structures by 0.04 A. Peak 2067 from aliabs.peaks (3.83, 4.06, 67.71 ppm; 5.10 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 62 + HB THR 65 OK 100 100 100 100 2.5-3.6 1970=100, 10993/2.1=89...(11) HA LEU 123 - HB THR 65 far 0 90 0 - 7.3-9.3 HB2 SER 50 - HB THR 65 far 0 97 0 - 8.4-11.0 HD3 PRO 58 - HB THR 65 far 0 90 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 2069 from aliabs.peaks (3.97, 4.06, 67.71 ppm; 4.74 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 65 + HB THR 65 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 50 - HB THR 65 far 0 68 0 - 7.4-9.5 HB2 SER 51 - HB THR 65 far 0 63 0 - 7.5-9.9 HA LEU 100 - HB THR 65 far 0 99 0 - 8.4-9.5 HB3 SER 51 - HB THR 65 far 0 97 0 - 8.4-10.0 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 - 8.9-11.0 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 2.0-2.5 3.2=96, ~6842=21...(16) HB2 SER 51 - QG2 THR 65 far 0 63 0 - 5.2-8.0 HA SER 50 - QG2 THR 65 far 0 68 0 - 6.0-7.1 HB3 SER 51 - QG2 THR 65 far 0 97 0 - 6.0-7.3 HA GLN 127 - QG2 THR 65 far 0 100 0 - 7.5-9.5 HA LEU 100 - QG2 THR 65 far 0 99 0 - 8.2-9.5 HB3 SER 99 - QG2 THR 65 far 0 65 0 - 9.6-11.7 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 5 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 44 - QG2 THR 65 far 0 76 0 - 6.9-8.0 HA LEU 122 - QG2 THR 65 far 0 71 0 - 7.8-10.1 HA LEU 96 - QG2 THR 65 far 0 97 0 - 9.0-10.8 HA GLN 104 - QG2 THR 65 far 0 73 0 - 10.0-12.2 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): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HA2 GLY 66 OK 100 100 100 100 2.6-5.8 3.2/11058=92...(25) HB2 LEU 69 + HA3 GLY 66 OK 99 99 100 100 3.9-7.4 ~11058=82, 2179=50...(25) HG LEU 62 + HA3 GLY 66 OK 28 98 30 96 7.2-8.5 3.0/10999=86, ~9435=31...(7) HG LEU 62 - HA2 GLY 66 far 0 100 0 - 7.9-9.1 HB2 LEU 123 - HA3 GLY 66 far 0 99 0 - 8.9-11.4 HB2 LEU 123 - HA2 GLY 66 far 0 100 0 - 9.0-11.0 HG LEU 119 - HA3 GLY 66 far 0 60 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 2084 from aliabs.peaks (2.16, 3.63, 47.54 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 69 + HA2 GLY 66 OK 100 100 100 100 2.2-5.6 3.2/11058=92...(22) HB3 LEU 69 + HA3 GLY 66 OK 99 99 100 100 3.8-7.2 ~11058=82, 2189=50...(21) HB3 GLN 68 + HA2 GLY 66 OK 66 76 100 87 4.9-7.1 2140/4.9=53, 3.7/6878=35...(5) HB3 GLN 68 + HA3 GLY 66 OK 50 73 80 86 6.1-7.8 2140/4.9=53, 3.7/6878=35...(5) HB2 GLU 97 - HA2 GLY 66 poor 18 73 25 - 6.5-10.9 HB2 GLU 97 - HA3 GLY 66 lone 3 70 35 11 6.5-10.2 11695/9991=6, 11111/9448=2 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): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HA3 GLY 66 OK 100 100 100 100 3.9-7.4 ~11058=82, 2180=50...(25) HB2 LEU 69 + HA2 GLY 66 OK 99 99 100 100 2.6-5.8 3.2/11058=96...(25) HG LEU 62 + HA3 GLY 66 OK 29 100 30 96 7.2-8.5 3.0/10999=84, ~9435=31...(7) HG LEU 62 - HA2 GLY 66 far 0 98 0 - 7.9-9.1 HB2 LEU 123 - HA3 GLY 66 far 0 100 0 - 8.9-11.4 HB2 LEU 123 - HA2 GLY 66 far 0 99 0 - 9.0-11.0 HG LEU 119 - HA3 GLY 66 far 0 63 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 2091 from aliabs.peaks (2.16, 3.63, 47.54 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 69 + HA3 GLY 66 OK 100 100 100 100 3.8-7.2 ~11058=82, 2190=50...(21) HB3 LEU 69 + HA2 GLY 66 OK 99 99 100 100 2.2-5.6 3.2/11058=96...(22) HB3 GLN 68 + HA2 GLY 66 OK 63 73 100 87 4.9-7.1 2140/4.9=53, 3.7/6879=35...(5) HB3 GLN 68 + HA3 GLY 66 OK 52 76 80 86 6.1-7.8 2140/4.9=53, 3.7/6879=35...(5) HB2 GLU 97 - HA2 GLY 66 poor 18 70 25 - 6.5-10.9 HB2 GLU 97 - HA3 GLY 66 lone 3 73 35 12 6.5-10.2 11695/9991=7, 11111/9448=2 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 - 5.1-6.2 HB3 TYR 72 - HA HIS 67 far 0 100 0 - 7.8-8.8 HB2 PHE 89 - HA GLU 128 far 0 26 0 - 8.8-10.6 HB3 PHE 89 - HA GLU 128 far 0 45 0 - 8.9-11.2 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 2.6-3.0 3.0=100 HA VAL 126 - HA GLU 128 far 0 23 0 - 6.2-6.5 HA VAL 126 - HA HIS 67 far 0 63 0 - 9.0-11.2 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 = 0.99: * HD2 HIS 67 + HA HIS 67 OK 99 100 100 99 2.1-3.3 5501=70, 6870/2.9=48...(9) QD TYR 72 - HA HIS 67 far 0 68 0 - 7.3-8.2 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 6 assignments used, quality = 1.00: * H LEU 70 + HA HIS 67 OK 100 100 100 100 3.1-4.2 6936=100, 3.6/6916=60...(19) H VAL 132 + HA GLU 128 OK 43 44 100 99 3.8-5.1 7908=59, 7914/4195=55...(11) H LEU 100 - HA HIS 67 far 0 76 0 - 6.8-8.2 H VAL 93 - HA GLU 128 far 0 23 0 - 8.1-8.9 H ALA 12 - HA HIS 67 far 0 93 0 - 8.6-42.8 H ASP 47 - HA GLU 128 far 0 44 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 2100 from aliabs.peaks (1.71, 4.21, 58.74 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.99: * HB2 LEU 70 + HA HIS 67 OK 95 100 95 100 2.6-5.0 3.2/9462=64...(23) HB3 LEU 70 + HA HIS 67 OK 78 98 80 100 2.1-5.6 3.2/9462=64...(24) HG2 ARG 135 - HA GLU 128 far 0 45 0 - 6.6-10.6 HG LEU 98 - HA HIS 67 far 0 100 0 - 9.8-12.4 Violated in 5 structures by 0.09 A. Peak 2101 from aliabs.peaks (1.71, 4.21, 58.74 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.99: HB2 LEU 70 + HA HIS 67 OK 93 98 95 100 2.6-5.0 3.2/9462=64...(23) * HB3 LEU 70 + HA HIS 67 OK 80 100 80 100 2.1-5.6 3.2/9462=64...(24) HG2 ARG 135 - HA GLU 128 far 0 40 0 - 6.6-10.6 HG LEU 98 - HA HIS 67 far 0 100 0 - 9.8-12.4 Violated in 5 structures by 0.09 A. Peak 2102 from aliabs.peaks (4.45, 3.34, 27.59 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: * HA ASP 64 + HB2 HIS 67 OK 99 100 100 99 2.6-4.3 2046/1.8=82, 2045=55...(9) Violated in 1 structures by 0.00 A. Peak 2104 from aliabs.peaks (4.21, 3.34, 27.59 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 HA ALA 29 - HB2 HIS 67 far 0 83 0 - 7.3-23.1 HB THR 25 - HB2 HIS 67 far 0 87 0 - 9.9-32.2 Violated in 0 structures by 0.00 A. Peak 2105 from aliabs.peaks (3.34, 3.34, 27.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 67 + HB2 HIS 67 OK 100 100 - 100 Peak 2106 from aliabs.peaks (3.41, 3.34, 27.59 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB2 HIS 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2107 from aliabs.peaks (7.16, 3.34, 27.59 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.9-4.0 4.0=100 QD TYR 72 - HB2 HIS 67 far 0 68 0 - 7.5-9.3 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 2.4-4.2 2046=100, 2102/1.8=81...(9) Violated in 0 structures by 0.00 A. Peak 2112 from aliabs.peaks (4.21, 3.41, 27.59 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.6-3.0 3.0=100 HA ALA 29 - HB3 HIS 67 far 0 83 0 - 8.9-23.1 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 poor 17 83 30 70 3.8-6.5 4.9/2046=23, 3.2/9468=20...(8) HB3 TYR 72 - HB3 HIS 67 far 0 100 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 2114 from aliabs.peaks (3.41, 3.41, 27.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB3 HIS 67 OK 100 100 - 100 Peak 2115 from aliabs.peaks (7.16, 3.41, 27.59 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 QD TYR 72 - HB3 HIS 67 far 0 68 0 - 7.3-9.7 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 2 assignments used, quality = 1.00: * H GLN 68 + HA GLN 68 OK 100 100 100 100 2.7-2.9 2.9=100 H ALA 88 - HA ARG 135 far 0 73 0 - 9.3-11.6 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 9 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.6-3.8 2151=99, 1.8/2123=74...(24) HB VAL 133 - HA ARG 135 far 0 38 0 - 7.2-8.2 HB2 GLN 82 - HA ARG 135 far 0 69 0 - 7.7-10.6 HB2 PRO 81 - HA ARG 135 far 0 52 0 - 8.6-13.6 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 8.8-12.3 HB3 GLU 128 - HA ARG 135 far 0 67 0 - 8.9-13.1 HG2 GLU 97 - HA GLN 68 far 0 73 0 - 9.3-13.4 HB3 GLN 104 - HA GLN 68 far 0 100 0 - 9.4-13.7 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 2.3-3.0 3.0=100 HB3 LEU 69 - HA GLN 68 far 0 76 0 - 5.5-6.6 HB VAL 133 - HA ARG 135 far 0 71 0 - 7.2-8.2 HB2 GLN 82 - HA ARG 135 far 0 42 0 - 7.7-10.6 HB2 PRO 81 - HA ARG 135 far 0 68 0 - 8.6-13.6 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 9 assignments used, quality = 1.00: * HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.6-3.8 2151=100, 1.8/2123=74...(24) HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 133 - HA ARG 135 far 0 44 0 - 7.2-8.2 HB2 GLN 82 - HA ARG 135 far 0 72 0 - 7.7-10.6 HB2 PRO 81 - HA ARG 135 far 0 53 0 - 8.6-13.6 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 8.8-12.3 HB3 GLU 128 - HA ARG 135 far 0 62 0 - 8.9-13.1 HG2 GLU 97 - HA GLN 68 far 0 65 0 - 9.3-13.4 HB3 GLN 104 - HA GLN 68 far 0 99 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 2123 from aliabs.peaks (2.32, 4.00, 58.83 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HA GLN 68 OK 100 100 100 100 3.4-3.9 2160=93, 1.8/2151=71...(19) HB3 GLN 134 - HA ARG 135 far 0 70 0 - 4.5-6.1 HG2 GLU 128 - HA ARG 135 far 0 52 0 - 8.1-13.4 HG2 GLN 27 - HA GLN 68 far 0 71 0 - 9.8-25.3 Violated in 18 structures by 0.18 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 4.1-5.9 5.2=100 QE TYR 72 + HA GLN 68 OK 96 96 100 100 3.6-5.1 11830/2151=92...(12) 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 5.7-6.6 5.2=100 H GLY 75 - HA GLN 68 far 0 93 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 2126 from aliabs.peaks (8.30, 4.00, 58.83 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 69 + HA GLN 68 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 72 + HA GLN 68 OK 72 76 95 99 3.8-5.5 3.4/6956=64, 4.6/2129=54...(14) H ASP 131 - HA ARG 135 far 0 44 0 - 6.8-8.6 H LEU 49 - HA GLN 68 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2127 from aliabs.peaks (8.13, 4.00, 58.83 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 71 + HA GLN 68 OK 100 100 100 100 3.3-4.2 6956=100, 6968/2129=78...(17) H VAL 133 - HA ARG 135 far 7 73 10 - 5.7-6.9 H ILE 32 - HA GLN 68 far 0 99 0 - 8.4-17.1 Violated in 0 structures by 0.00 A. Peak 2128 from aliabs.peaks (2.61, 4.00, 58.83 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA GLN 68 OK 100 100 100 100 2.4-4.3 2284=82, 1.8/2129=79...(14) Violated in 4 structures by 0.04 A. Peak 2129 from aliabs.peaks (2.81, 4.00, 58.83 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 71 + HA GLN 68 OK 100 100 100 100 2.4-4.5 2290=80, 1.8/2128=71...(13) HB3 ASN 85 - HA ARG 135 far 0 68 0 - 5.9-8.8 HB3 ASP 64 - HA GLN 68 far 0 100 0 - 7.8-9.6 Violated in 9 structures by 0.21 A. Peak 2130 from aliabs.peaks (3.97, 2.22, 28.25 ppm; 5.08 A): 3 out of 12 assignments used, quality = 1.00: * HA THR 65 + HB2 GLN 68 OK 100 100 100 100 2.2-5.6 2066/1.8=73...(18) HB2 SER 106 + HB3 GLU 102 OK 36 53 90 76 2.5-8.0 11473/1.8=44, ~11473=24...(10) HB3 SER 106 + HB3 GLU 102 OK 36 50 85 85 2.2-7.5 ~11473=35, 11473/1.8=30...(11) HB3 SER 99 - HB3 GLU 102 far 4 28 15 - 3.9-7.5 HB2 SER 124 - HB3 GLU 128 far 4 39 10 - 5.5-7.7 HA GLN 127 - HB3 GLU 128 far 3 52 5 - 5.5-6.6 HA LEU 100 - HB3 GLU 102 far 3 52 5 - 5.0-7.5 HB3 SER 107 - HB3 GLU 102 far 0 48 0 - 6.1-11.3 HD3 PRO 117 - HB3 GLU 102 far 0 41 0 - 6.4-9.7 HA3 GLY 111 - HB3 GLU 102 far 0 31 0 - 7.3-16.9 HA GLU 91 - HB3 GLU 128 far 0 52 0 - 8.1-10.5 HB3 SER 94 - HB3 GLU 128 far 0 52 0 - 9.3-13.3 Violated in 0 structures by 0.00 A. Peak 2131 from aliabs.peaks (7.86, 2.22, 28.25 ppm; 5.94 A): 3 out of 6 assignments used, quality = 1.00: * H GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.1-3.6 3.7=100 H GLU 102 + HB3 GLU 102 OK 52 52 100 100 2.2-3.6 3.8=100 H GLU 128 + HB3 GLU 128 OK 43 43 100 100 2.1-3.6 3.6=100 H ALA 88 - HB2 GLN 82 far 0 87 0 - 7.6-9.1 H ALA 88 - HB3 GLU 128 far 0 51 0 - 8.5-11.1 H ALA 41 - HB2 GLN 68 far 0 63 0 - 9.5-12.9 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 14 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 + HB3 GLU 102 OK 47 47 100 99 4.3-4.8 3.0/7469=77, ~7468=55...(13) HB3 SER 106 - HB3 GLU 102 poor 19 34 85 67 2.2-7.5 ~11473=32...(10) HB3 SER 99 - HB3 GLU 102 far 8 52 15 - 3.9-7.5 HB2 SER 124 - HB3 GLU 128 far 5 46 10 - 5.5-7.7 HB3 SER 124 - HB3 GLU 128 far 0 48 0 - 6.9-8.8 HA ILE 37 - HB2 GLN 68 far 0 87 0 - 7.6-11.6 HA ARG 135 - HB2 GLN 82 far 0 77 0 - 7.7-10.6 HA LEU 119 - HB3 GLU 102 far 0 34 0 - 7.8-11.1 HA GLU 91 - HB3 GLU 128 far 0 25 0 - 8.1-10.5 HA ARG 135 - HB3 GLU 128 far 0 43 0 - 8.9-13.1 HA LYS 95 - HB3 GLU 102 far 0 35 0 - 9.3-12.6 HB3 SER 94 - HB3 GLU 128 far 0 24 0 - 9.3-13.3 HA LYS 95 - HB3 GLU 128 far 0 35 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 2133 from aliabs.peaks (2.22, 2.22, 28.25 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 68 + HB2 GLN 68 OK 100 100 - 100 HB2 GLN 82 + HB2 GLN 82 OK 83 83 - 100 HB3 GLU 102 + HB3 GLU 102 OK 49 49 - 100 HB3 GLU 128 + HB3 GLU 128 OK 46 46 - 100 Peak 2134 from aliabs.peaks (2.18, 2.22, 28.25 ppm; 3.05 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 69 - HB2 GLN 68 far 0 76 0 - 4.7-7.2 HG2 GLU 91 - HB3 GLU 128 far 0 24 0 - 4.9-7.6 HB2 PRO 81 - HB2 GLN 82 far 0 82 0 - 5.6-7.1 HB2 GLN 101 - HB3 GLU 102 far 0 31 0 - 6.3-7.5 HB2 GLN 104 - HB3 GLU 102 far 0 51 0 - 7.6-9.5 HB VAL 133 - HB2 GLN 82 far 0 85 0 - 8.5-11.6 HB3 LEU 69 - HB3 GLU 128 far 0 33 0 - 8.7-13.5 HB VAL 133 - HB3 GLU 128 far 0 49 0 - 9.7-11.8 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 10 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 2.2-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 35 35 100 100 2.3-3.0 3.0=100 HB3 GLN 101 - HB3 GLU 102 poor 12 41 30 - 4.9-7.2 HG2 GLN 127 - HB3 GLU 128 far 0 32 0 - 6.9-8.2 HB3 GLN 134 - HB3 GLU 128 far 0 48 0 - 8.8-12.6 HG2 GLN 27 - HB2 GLN 68 far 0 71 0 - 9.1-26.0 HG3 GLN 27 - HB2 GLN 68 far 0 65 0 - 9.4-26.6 HB3 GLN 134 - HB2 GLN 82 far 0 84 0 - 9.6-13.7 HG2 GLU 44 - HB2 GLN 68 far 0 100 0 - 9.7-12.8 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 1.9-4.3 4.6=100 QE TYR 72 + HB2 GLN 68 OK 96 96 100 100 1.9-5.8 11830/3.0=97...(18) HE21 GLN 101 - HB3 GLU 102 poor 18 35 50 - 6.9-10.2 HE21 GLN 127 - HB3 GLU 128 far 0 51 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 2138 from aliabs.peaks (7.77, 2.22, 28.25 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HE22 GLN 68 + HB2 GLN 68 OK 100 100 100 100 3.3-4.7 4.6=100 HD22 ASN 121 + HB3 GLU 102 OK 26 52 50 99 4.8-9.6 10332/11545=91...(4) H LEU 98 - HB3 GLU 102 far 1 28 5 - 7.5-10.1 H GLY 75 - HB2 GLN 68 far 0 93 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2139 from aliabs.peaks (8.30, 2.22, 28.25 ppm; 5.17 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 69 + HB2 GLN 68 OK 100 100 100 100 2.5-4.0 4.4=100 H TYR 72 + HB2 GLN 68 OK 41 76 55 99 5.0-7.2 ~6956=42, ~2127=38...(17) H ASP 131 + HB3 GLU 128 OK 29 29 100 99 5.0-5.7 3.8/11730=65...(12) H SER 99 - HB3 GLU 102 far 5 51 10 - 5.0-7.9 H VAL 126 - HB3 GLU 128 far 2 39 5 - 5.1-7.3 H LEU 49 - HB2 GLN 68 far 0 100 0 - 7.2-9.7 H LEU 96 - HB3 GLU 128 far 0 33 0 - 7.3-9.5 H ALA 110 - HB3 GLU 102 far 0 42 0 - 8.4-15.2 H LEU 43 - HB2 GLN 68 far 0 97 0 - 8.9-12.0 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 3.2-5.4 2066=81, 11023/3.0=64...(19) Violated in 2 structures by 0.03 A. Peak 2141 from aliabs.peaks (7.86, 2.18, 28.25 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.7 3.7=100 H ALA 41 - HB3 GLN 68 far 0 63 0 - 9.8-13.4 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 3 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 37 - HB3 GLN 68 far 0 87 0 - 6.7-11.7 HA SER 60 - HB3 GLN 68 far 0 99 0 - 9.7-13.1 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 3 assignments used, quality = 1.00: * HB2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 68 + HB3 GLN 68 OK 99 100 100 99 2.4-3.0 3.0=91, 2151/3.0=35...(17) HB3 GLN 104 - HB3 GLN 68 far 0 100 0 - 9.5-13.5 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 3 assignments used, quality = 1.00: * HG2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 104 - HB3 GLN 68 far 0 99 0 - 9.5-13.5 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 3 assignments used, quality = 1.00: * HG3 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 27 - HB3 GLN 68 far 0 71 0 - 8.4-26.3 HG3 GLN 27 - HB3 GLN 68 far 0 65 0 - 8.8-26.8 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 1.9-4.6 4.6=100 QE TYR 72 + HB3 GLN 68 OK 96 96 100 100 2.3-5.5 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 3.4-5.0 4.6=100 H GLY 75 - HB3 GLN 68 far 0 93 0 - 9.2-12.3 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 2.1-4.2 4.4=100 H TYR 72 + HB3 GLN 68 OK 57 76 75 100 4.7-7.4 ~6956=52, 6.5/9550=49...(19) H LEU 49 - HB3 GLN 68 far 5 100 5 - 6.5-9.8 H LEU 43 - HB3 GLN 68 far 0 97 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 2151 from aliabs.peaks (4.00, 2.21, 33.81 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.6-3.8 3.7=92, 2123/1.8=74...(24) HA ILE 37 - HG2 GLN 68 far 0 87 0 - 7.9-12.2 HA SER 60 - HG2 GLN 68 far 0 99 0 - 9.9-12.3 Violated in 17 structures by 0.08 A. Peak 2152 from aliabs.peaks (2.22, 2.21, 33.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 68 + HG2 GLN 68 OK 100 100 - 100 Reference assignment not found: HB2 GLN 68 - HG2 GLN 68 Peak 2153 from aliabs.peaks (2.18, 2.21, 33.81 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 69 + HG2 GLN 68 OK 61 76 80 100 2.9-7.0 3.7/2158=60, ~11022=59...(30) 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 1 assignment used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.2-3.5 3.5=100 QE TYR 72 + HG2 GLN 68 OK 76 96 80 100 3.5-5.7 2.2/9481=66, 9550/3.0=61...(14) Violated in 0 structures by 0.00 A. Peak 2158 from aliabs.peaks (8.30, 2.21, 33.81 ppm; 5.26 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 69 + HG2 GLN 68 OK 100 100 100 100 2.0-4.3 6922/1.8=92, 3.6/2151=86...(26) H TYR 72 + HG2 GLN 68 OK 30 76 40 98 5.4-7.1 4.5/9481=60...(13) H LEU 49 - HG2 GLN 68 far 10 100 10 - 6.0-9.4 H LEU 43 - HG2 GLN 68 far 0 97 0 - 9.0-12.4 H VAL 126 - HG2 GLN 68 far 0 85 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 2159 from aliabs.peaks (7.86, 2.32, 33.81 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.5-4.3 5.1=100 H ALA 41 - HG3 GLN 68 far 0 63 0 - 8.9-12.8 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 3.4-3.9 2123=100, 2151/1.8=74...(19) HA ILE 37 - HG3 GLN 68 far 0 87 0 - 6.4-12.2 Violated in 16 structures by 0.11 A. Peak 2161 from aliabs.peaks (2.22, 2.32, 33.81 ppm; 4.74 A): 2 out of 4 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 GLU 97 - HG3 GLN 68 far 0 100 0 - 9.5-13.1 HB3 LEU 96 - HG3 GLN 68 far 0 73 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2162 from aliabs.peaks (2.18, 2.32, 33.81 ppm; 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 69 + HG3 GLN 68 OK 40 76 55 96 2.8-6.6 1.8/11022=37...(26) 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 4 assignments used, quality = 1.00: * HG2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 68 + HG3 GLN 68 OK 93 100 100 93 2.3-3.0 3.0=64, 3.0/2123=28...(14) HB3 GLU 97 - HG3 GLN 68 far 0 100 0 - 9.5-13.1 HB3 LEU 96 - HG3 GLN 68 far 0 65 0 - 9.8-12.9 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 2.2-3.5 3.5=100 QE TYR 72 + HG3 GLN 68 OK 96 96 100 100 2.3-4.7 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 1.9-3.6 6922=100, 2158/1.8=88...(19) H TYR 72 + HG3 GLN 68 OK 48 76 65 97 5.0-7.2 4.5/9482=54...(12) H LEU 49 - HG3 GLN 68 far 0 100 0 - 6.2-7.8 H LEU 43 - HG3 GLN 68 far 0 97 0 - 7.9-11.4 H VAL 126 - HG3 GLN 68 far 0 85 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2168 from aliabs.peaks (8.30, 4.35, 58.02 ppm; 5.64 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 100 100 2.8-2.9 2.9=100 H TYR 72 + HA LEU 69 OK 76 76 100 100 3.1-3.7 3.8/2178=75...(25) H LEU 43 - HA LEU 69 far 0 97 0 - 7.1-8.1 H LEU 49 - HA LEU 69 far 0 100 0 - 7.4-9.0 H VAL 126 - HA LEU 69 far 0 85 0 - 8.8-10.8 H LEU 96 - HA LEU 69 far 0 76 0 - 9.4-11.9 H ASP 131 - HA LEU 69 far 0 68 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2169 from aliabs.peaks (4.35, 4.35, 58.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 Peak 2170 from aliabs.peaks (1.65, 4.35, 58.02 ppm; 4.84 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 - HA LEU 69 far 0 96 0 - 7.7-11.5 HD3 LYS 36 - HA LEU 69 far 0 97 0 - 7.9-10.7 HG LEU 43 - HA LEU 69 far 0 99 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 2171 from aliabs.peaks (2.16, 4.35, 58.02 ppm; 5.17 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 68 + HA LEU 69 OK 76 76 100 100 3.9-5.7 ~2139=63, ~2158=45...(24) HB2 GLU 97 - HA LEU 69 far 0 73 0 - 7.7-12.2 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 2.8-3.7 3.7=100 HG LEU 42 + HA LEU 69 OK 57 60 95 99 3.4-5.8 2.1/9100=85, 2.1/9102=45...(16) HB3 LEU 42 - HA LEU 69 far 9 60 15 - 5.2-6.9 HB2 LEU 49 - HA LEU 69 far 0 85 0 - 7.0-10.2 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 1.8-3.9 2208=100, 11066/9100=41...(23) Violated in 2 structures by 0.01 A. Peak 2174 from aliabs.peaks (0.87, 4.35, 58.02 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.1-4.0 3.9=100 QD2 LEU 70 + HA LEU 69 OK 43 98 45 97 4.6-6.3 2268/3.6=52, 2269/4.9=49...(14) QG2 ILE 32 - HA LEU 69 far 0 65 0 - 6.6-14.6 QG1 VAL 133 - HA LEU 69 far 0 65 0 - 6.8-9.4 QD2 LEU 48 - HA LEU 69 far 0 60 0 - 8.2-10.1 QD2 LEU 123 - HA LEU 69 far 0 90 0 - 9.3-12.8 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 3.5-3.6 3.6=100 H ASP 47 - HA LEU 69 far 0 99 0 - 7.5-8.4 H VAL 93 - HA LEU 69 far 0 63 0 - 9.0-12.1 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 3.1-3.7 6973=100, 6974/3.6=90...(24) H LEU 69 + HA LEU 69 OK 76 76 100 100 2.8-2.9 2.9=100 H GLU 44 - HA LEU 69 far 0 97 0 - 7.2-8.8 H LEU 49 - HA LEU 69 far 0 81 0 - 7.4-9.0 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 3.6-5.0 1.8/2178=95, 3.8/6973=93...(21) Violated in 0 structures by 0.00 A. Peak 2178 from aliabs.peaks (3.34, 4.35, 58.02 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HA LEU 69 OK 100 100 100 100 2.1-3.4 3.8/6973=80...(24) HB2 HIS 67 - HA LEU 69 far 0 100 0 - 7.3-8.5 HA VAL 63 - HA LEU 69 far 0 78 0 - 9.4-11.2 Violated in 0 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 2.6-5.8 11058/3.2=90...(25) HA3 GLY 66 + HB2 LEU 69 OK 100 100 100 100 3.9-7.4 ~11058=82...(25) 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 3.9-7.4 ~11058=82...(25) HA2 GLY 66 + HB2 LEU 69 OK 100 100 100 100 2.6-5.8 11058/3.2=96...(25) 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 2.1-3.6 3.7=100 H TYR 72 + HB2 LEU 69 OK 76 76 100 100 5.0-5.7 6973/3.0=65, 9522/3.2=63...(21) H VAL 126 + HB2 LEU 69 OK 70 85 85 97 6.6-8.8 ~11052=76, ~11077=64...(8) H LEU 49 + HB2 LEU 69 OK 37 100 45 83 5.7-8.9 2215/3.0=47...(7) H LEU 96 + HB2 LEU 69 OK 22 76 30 98 7.2-10.9 5.1/11805=91...(6) H LEU 43 - HB2 LEU 69 far 10 97 10 - 6.4-10.1 H ASP 131 - HB2 LEU 69 far 0 68 0 - 9.0-12.0 H SER 99 - HB2 LEU 69 far 0 99 0 - 9.5-13.0 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 2.3-3.0 3.0=100 HA CYS 73 + HB2 LEU 69 OK 45 60 75 100 5.9-8.5 9955/11407=78, ~11084=66...(20) HA ASP 47 - HB2 LEU 69 far 0 97 0 - 8.1-10.5 HA CYS 125 - HB2 LEU 69 far 0 99 0 - 9.2-11.7 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 HB3 GLN 68 - HB2 LEU 69 poor 19 76 25 - 3.8-7.3 HB2 GLU 97 - HB2 LEU 69 far 7 73 10 - 5.5-11.6 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 2.3-2.9 2.9=100 HG LEU 42 + HB2 LEU 69 OK 60 60 100 100 3.4-7.2 ~11039=85, ~11066=84...(22) HB2 LEU 49 + HB2 LEU 69 OK 47 85 55 100 5.2-8.1 ~11048=77, 2219/3.0=42...(23) HB3 LEU 42 - HB2 LEU 69 far 9 60 15 - 5.5-9.4 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 1.9-3.2 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 9 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 QD2 LEU 70 + HB2 LEU 69 OK 92 98 95 99 2.4-5.9 11115/11493=67...(13) QG1 VAL 133 - HB2 LEU 69 far 0 65 0 - 6.5-10.5 QD2 LEU 123 - HB2 LEU 69 far 0 90 0 - 7.5-11.5 QD2 LEU 48 - HB2 LEU 69 far 0 60 0 - 7.5-10.2 QG2 ILE 32 - HB2 LEU 69 far 0 65 0 - 8.6-16.8 QG1 VAL 118 - HB2 LEU 69 far 0 65 0 - 8.8-12.1 QD1 LEU 98 - HB2 LEU 69 far 0 99 0 - 9.7-13.6 QD2 LEU 98 - HB2 LEU 69 far 0 90 0 - 10.0-13.4 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 2.3-4.0 4.4=100 H ASP 47 - HB2 LEU 69 far 15 99 15 - 6.0-8.7 H VAL 93 - HB2 LEU 69 far 0 63 0 - 7.5-11.8 H LEU 100 - HB2 LEU 69 far 0 76 0 - 8.1-11.5 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 2.2-5.6 11058/3.2=90...(22) HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 3.8-7.2 ~11058=82, 11053/3.0=47...(21) 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 3.8-7.2 ~11058=82, 11053/3.0=46...(21) HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.2-5.6 11058/3.2=96...(22) Violated in 0 structures by 0.00 A. Peak 2191 from aliabs.peaks (8.30, 2.16, 40.44 ppm; 6.28 A): 4 out of 8 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.0-3.6 3.7=100 H TYR 72 + HB3 LEU 69 OK 76 76 100 100 5.0-5.7 6973/3.0=65, 9522/3.2=59...(22) H LEU 49 + HB3 LEU 69 OK 43 100 45 95 5.4-8.5 11703/9443=70...(11) H VAL 126 + HB3 LEU 69 OK 28 85 35 94 6.6-9.1 ~11052=67, ~11077=56...(9) H LEU 96 - HB3 LEU 69 far 8 76 10 - 6.7-11.2 H LEU 43 - HB3 LEU 69 far 5 97 5 - 6.7-10.1 H ASP 131 - HB3 LEU 69 far 0 68 0 - 8.9-12.1 H SER 99 - HB3 LEU 69 far 0 99 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 2192 from aliabs.peaks (4.35, 2.16, 40.44 ppm; 5.42 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HA CYS 73 - HB3 LEU 69 poor 18 60 30 - 5.6-8.3 HA ASP 47 - HB3 LEU 69 far 0 97 0 - 7.8-10.3 HA CYS 125 - HB3 LEU 69 far 0 99 0 - 8.6-12.0 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 4 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 43 - HB3 LEU 69 far 0 99 0 - 8.6-11.8 HD3 LYS 36 - HB3 LEU 69 far 0 97 0 - 9.8-13.6 HD2 LYS 36 - HB3 LEU 69 far 0 96 0 - 9.8-14.1 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 2.2-3.0 2.9=100 HG LEU 42 + HB3 LEU 69 OK 39 60 65 100 4.2-7.2 ~11039=61, ~11066=60...(24) HB2 LEU 49 - HB3 LEU 69 far 13 85 15 - 4.8-9.0 HB3 LEU 42 - HB3 LEU 69 far 0 60 0 - 6.3-9.5 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 2.1-3.2 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 8 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.1-3.2 3.0=100 QD2 LEU 70 + HB3 LEU 69 OK 69 98 75 94 2.9-6.0 2268/4.4=43, 2187/1.8=32...(15) QG1 VAL 133 - HB3 LEU 69 far 0 65 0 - 6.8-11.2 QD2 LEU 48 - HB3 LEU 69 far 0 60 0 - 7.1-10.2 QD2 LEU 123 - HB3 LEU 69 far 0 90 0 - 7.4-11.5 QG2 ILE 32 - HB3 LEU 69 far 0 65 0 - 8.1-16.8 QG1 VAL 118 - HB3 LEU 69 far 0 65 0 - 8.6-11.6 QD1 LEU 98 - HB3 LEU 69 far 0 99 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 2198 from aliabs.peaks (8.46, 2.16, 40.44 ppm; 6.27 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 100 100 2.6-4.2 4.4=100 H ASP 47 + HB3 LEU 69 OK 24 99 25 96 5.7-8.8 10995/9443=61...(9) H VAL 93 - HB3 LEU 69 far 3 63 5 - 6.9-11.6 H LEU 100 - HB3 LEU 69 far 0 76 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2199 from aliabs.peaks (8.30, 1.51, 27.00 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 100 100 2.9-4.6 5.2=100 H VAL 126 + HG LEU 69 OK 80 85 95 99 5.3-7.9 ~11052=86, ~11077=73...(11) H LEU 49 + HG LEU 69 OK 79 100 85 93 5.5-8.4 2215/2.1=48...(9) H TYR 72 + HG LEU 69 OK 76 76 100 100 4.7-7.1 ~11084=72, ~9563=71...(19) H LEU 43 + HG LEU 69 OK 28 97 35 82 6.9-9.3 ~10944=41, ~10884=40...(6) H LEU 96 - HG LEU 69 far 4 76 5 - 7.5-9.6 H ASP 131 - HG LEU 69 far 0 68 0 - 7.8-11.3 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 2.8-3.7 3.7=100 HA CYS 73 + HG LEU 69 OK 24 60 40 100 5.0-8.6 ~11084=70, ~9563=69...(15) HA ASP 47 - HG LEU 69 poor 19 97 20 - 7.1-9.7 HA CYS 125 - HG LEU 69 far 0 99 0 - 7.8-10.2 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 2.3-2.9 2.9=100 HG LEU 43 - HG LEU 69 far 0 99 0 - 7.6-10.9 HB2 LEU 123 - HG LEU 69 far 0 100 0 - 9.8-12.2 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 2.2-3.0 2.9=100 HB3 GLN 68 - HG LEU 69 far 4 76 5 - 6.2-8.2 HB2 GLU 97 - HG LEU 69 far 0 73 0 - 6.8-11.9 Violated in 0 structures by 0.00 A. Peak 2203 from aliabs.peaks (1.51, 1.51, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 69 + HG LEU 69 OK 100 100 - 100 Peak 2204 from aliabs.peaks (1.01, 1.51, 27.00 ppm; 4.36 A): 1 out of 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): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 69 OK 39 98 50 79 3.2-6.4 2268/6943=33...(10) QG1 VAL 133 - HG LEU 69 far 0 65 0 - 6.1-10.3 QD2 LEU 123 - HG LEU 69 far 0 90 0 - 6.6-11.1 QD2 LEU 48 - HG LEU 69 far 0 60 0 - 7.4-10.2 QG2 ILE 32 - HG LEU 69 far 0 65 0 - 8.9-17.5 QG1 VAL 118 - HG LEU 69 far 0 65 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 2207 from aliabs.peaks (8.30, 1.01, 23.36 ppm; 4.10 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.4-4.3 4.3=87, 2.9/2208=71...(18) H TYR 72 + QD1 LEU 69 OK 64 76 85 99 4.0-5.6 6973/2208=44...(21) H LEU 43 + QD1 LEU 69 OK 23 97 25 96 4.5-6.6 1338/11066=51...(11) H LEU 49 - QD1 LEU 69 far 15 100 15 - 4.6-7.1 H VAL 126 - QD1 LEU 69 far 0 85 0 - 5.0-7.8 H ASP 131 - QD1 LEU 69 far 0 68 0 - 5.9-8.4 H LEU 96 - QD1 LEU 69 far 0 76 0 - 6.5-9.7 H GLU 40 - QD1 LEU 69 far 0 97 0 - 7.8-10.6 H SER 99 - QD1 LEU 69 far 0 99 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 2208 from aliabs.peaks (4.35, 1.01, 23.36 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.8-3.9 2173=89, 9100/11066=38...(23) HA CYS 73 - QD1 LEU 69 far 6 60 10 - 3.4-6.2 HA ASP 47 - QD1 LEU 69 far 0 97 0 - 5.9-7.9 HA CYS 125 - QD1 LEU 69 far 0 99 0 - 7.0-9.9 HA2 GLY 75 - QD1 LEU 69 far 0 76 0 - 7.5-10.5 HA GLN 134 - QD1 LEU 69 far 0 100 0 - 9.7-12.0 Violated in 3 structures by 0.03 A. Peak 2209 from aliabs.peaks (1.65, 1.01, 23.36 ppm; 3.81 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 43 - QD1 LEU 69 far 0 99 0 - 5.7-7.7 HD2 LYS 36 - QD1 LEU 69 far 0 96 0 - 7.4-11.5 HD3 LYS 36 - QD1 LEU 69 far 0 97 0 - 7.8-10.5 HB2 LEU 123 - QD1 LEU 69 far 0 100 0 - 8.5-11.1 QB ALA 88 - QD1 LEU 69 far 0 95 0 - 8.5-11.1 HD2 LYS 39 - QD1 LEU 69 far 0 60 0 - 9.0-11.8 HD2 LYS 95 - QD1 LEU 69 far 0 100 0 - 9.5-14.0 HG LEU 62 - QD1 LEU 69 far 0 100 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2210 from aliabs.peaks (2.16, 1.01, 23.36 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 GLN 68 - QD1 LEU 69 poor 15 76 20 - 3.9-7.4 HB2 GLU 97 - QD1 LEU 69 far 0 73 0 - 6.6-11.1 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 5 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 42 + QD1 LEU 69 OK 58 60 100 97 2.2-3.7 2.1/11039=62...(18) HB3 LEU 42 - QD1 LEU 69 far 3 60 5 - 3.7-6.1 HB2 LEU 49 - QD1 LEU 69 far 0 85 0 - 4.3-7.1 HB2 LEU 53 - QD1 LEU 69 far 0 99 0 - 9.4-13.5 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 9 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 70 - QD1 LEU 69 far 10 98 10 - 3.4-6.1 QG1 VAL 133 - QD1 LEU 69 far 0 65 0 - 4.9-7.4 QD2 LEU 123 - QD1 LEU 69 far 0 90 0 - 5.7-9.8 QD2 LEU 48 - QD1 LEU 69 far 0 60 0 - 6.2-8.6 QG2 ILE 32 - QD1 LEU 69 far 0 65 0 - 6.8-13.5 QG1 VAL 118 - QD1 LEU 69 far 0 65 0 - 8.2-10.5 QD2 LEU 98 - QD1 LEU 69 far 0 90 0 - 9.2-12.3 QD1 LEU 98 - QD1 LEU 69 far 0 99 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 2214 from aliabs.peaks (8.46, 1.01, 23.36 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 69 OK 100 100 100 100 3.7-4.8 6944=72, 6941/3.2=69...(13) H ASP 47 + QD1 LEU 69 OK 78 99 80 98 4.2-6.2 3.7/11046=67...(13) H VAL 93 - QD1 LEU 69 far 0 63 0 - 6.2-9.5 H VAL 132 - QD1 LEU 69 far 0 99 0 - 7.0-9.6 H LEU 100 - QD1 LEU 69 far 0 76 0 - 7.7-10.6 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 9 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.8-4.2 6930=67, 6928/2.1=56...(22) H LEU 49 + QD2 LEU 69 OK 90 100 95 95 3.8-5.2 3.9/11048=46...(15) H VAL 126 - QD2 LEU 69 far 8 85 10 - 4.8-6.8 H TYR 72 - QD2 LEU 69 far 0 76 0 - 5.2-6.3 H LEU 43 - QD2 LEU 69 far 0 97 0 - 5.5-8.2 H ASP 131 - QD2 LEU 69 far 0 68 0 - 6.8-9.9 H LEU 96 - QD2 LEU 69 far 0 76 0 - 6.9-8.8 H SER 99 - QD2 LEU 69 far 0 99 0 - 8.0-10.6 H GLU 40 - QD2 LEU 69 far 0 97 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2216 from aliabs.peaks (4.35, 0.87, 27.95 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-4.0 3.9=100 HA ASP 47 - QD2 LEU 69 far 0 97 0 - 5.7-7.3 HA CYS 73 - QD2 LEU 69 far 0 60 0 - 5.9-7.9 HA CYS 125 - QD2 LEU 69 far 0 99 0 - 7.1-9.3 HA2 GLY 75 - QD2 LEU 69 far 0 76 0 - 9.7-12.1 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 8 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 HG LEU 43 - QD2 LEU 69 far 0 99 0 - 6.4-9.5 HB2 LEU 123 - QD2 LEU 69 far 0 100 0 - 7.9-9.9 HG LEU 62 - QD2 LEU 69 far 0 100 0 - 8.1-10.6 HD3 LYS 36 - QD2 LEU 69 far 0 97 0 - 8.1-11.9 HD2 LYS 36 - QD2 LEU 69 far 0 96 0 - 9.4-12.6 QB ALA 88 - QD2 LEU 69 far 0 95 0 - 9.6-11.8 HD2 LYS 39 - QD2 LEU 69 far 0 60 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2218 from aliabs.peaks (2.16, 0.87, 27.95 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-3.2 3.0=100 HB3 GLN 68 + QD2 LEU 69 OK 44 76 60 96 3.9-7.4 1.8/11021=48, 11048=33...(22) HB2 GLU 97 - QD2 LEU 69 far 0 73 0 - 6.3-10.5 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 46 85 60 90 2.8-5.0 1.8/11048=37...(21) HG LEU 42 - QD2 LEU 69 poor 12 60 20 - 3.2-6.0 HB3 LEU 42 - QD2 LEU 69 far 0 60 0 - 5.5-8.0 HB2 LEU 53 - QD2 LEU 69 far 0 99 0 - 8.0-11.6 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 3 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 118 - QD2 LEU 69 far 0 100 0 - 8.6-11.4 QG2 VAL 105 - QD2 LEU 69 far 0 100 0 - 10.0-12.9 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 2.7-4.9 6941/3.0=77, 6943/2.1=72...(14) H ASP 47 + QD2 LEU 69 OK 84 99 85 99 4.2-6.3 3.6/11054=70...(12) H LEU 100 - QD2 LEU 69 far 0 76 0 - 6.6-9.5 H VAL 93 - QD2 LEU 69 far 0 63 0 - 7.3-9.4 H VAL 132 - QD2 LEU 69 far 0 99 0 - 8.0-10.7 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 2.7-2.8 2.9=100 H VAL 93 - HA LEU 70 far 0 63 0 - 6.3-8.4 H LEU 100 - HA LEU 70 far 0 76 0 - 7.9-9.9 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 2.7-3.0 3.0=100 HB3 LEU 70 + HA LEU 70 OK 98 98 100 100 2.2-2.8 3.0=100 HG LEU 98 - HA LEU 70 far 0 100 0 - 8.8-10.8 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 2.2-2.8 3.0=100 HB2 LEU 70 + HA LEU 70 OK 98 98 100 100 2.7-3.0 3.0=100 HG3 ARG 90 - HA LEU 70 far 0 76 0 - 7.2-11.5 HG LEU 98 - HA LEU 70 far 0 100 0 - 8.8-10.8 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 3.4-3.7 3.7=100 HG LEU 122 - HA LEU 70 far 0 99 0 - 7.9-12.4 HB2 LEU 122 - HA LEU 70 far 0 100 0 - 8.3-11.2 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 8 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 1.9-4.1 3.8=100 QG2 ILE 129 - HA LEU 70 far 10 96 10 - 4.7-6.4 QD1 LEU 122 - HA LEU 70 far 0 99 0 - 5.7-9.7 QD2 LEU 122 - HA LEU 70 far 0 68 0 - 5.7-9.9 QD2 LEU 49 - HA LEU 70 far 0 92 0 - 6.1-8.2 QG1 VAL 133 - HA LEU 70 far 0 65 0 - 7.9-11.0 QG2 ILE 32 - HA LEU 70 far 0 65 0 - 8.6-16.3 QD1 LEU 53 - HA LEU 70 far 0 85 0 - 9.0-14.3 Violated in 9 structures by 0.10 A. Peak 2229 from aliabs.peaks (0.86, 3.88, 58.34 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.1-3.4 2269=100, 2.1/2261=61...(17) QD2 LEU 69 - HA LEU 70 far 5 98 5 - 3.5-6.1 QD1 LEU 98 - HA LEU 70 far 0 100 0 - 7.8-10.8 QG1 VAL 133 - HA LEU 70 far 0 87 0 - 7.9-11.0 QG2 ILE 32 - HA LEU 70 far 0 87 0 - 8.6-16.3 QD2 LEU 98 - HA LEU 70 far 0 71 0 - 8.8-10.6 QD2 LEU 123 - HA LEU 70 far 0 71 0 - 10.0-14.3 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 2 assignments used, quality = 1.00: * H ASP 71 + HA LEU 70 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 91 - HA LEU 70 far 0 96 0 - 9.4-11.8 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 3.3-4.1 6989=100, 3.8/2233=97...(21) 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 2.3-4.9 1.8/2233=81...(15) HB2 TYR 76 - HA LEU 70 far 0 71 0 - 7.1-9.3 HB2 CYS 125 - HA LEU 70 far 0 99 0 - 8.4-9.6 Violated in 10 structures by 0.12 A. Peak 2233 from aliabs.peaks (3.31, 3.88, 58.34 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 73 + HA LEU 70 OK 100 100 100 100 2.4-4.0 1.8/2232=73, 2330=56...(18) HB3 PHE 89 - HA LEU 70 far 0 60 0 - 8.7-11.2 HB2 PHE 89 - HA LEU 70 far 0 99 0 - 9.2-11.7 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 2 assignments used, quality = 1.00: * HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 2.6-5.0 9462/3.2=80...(23) HA HIS 67 + HB3 LEU 70 OK 94 94 100 100 2.1-5.6 9462/3.2=80...(24) 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 8 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.9-3.5 3.2=100 H LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.0-3.5 3.2=100 H VAL 93 - HB3 LEU 70 far 0 54 0 - 6.5-10.6 H LEU 100 - HB3 LEU 70 far 0 66 0 - 6.9-8.2 H LEU 100 - HB2 LEU 70 far 0 76 0 - 7.9-9.1 H VAL 93 - HB2 LEU 70 far 0 63 0 - 8.0-11.3 H ALA 12 - HB2 LEU 70 far 0 93 0 - 8.9-44.5 H ALA 12 - HB3 LEU 70 far 0 84 0 - 9.8-45.6 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 8 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HA LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.2-2.8 3.0=100 HB2 SER 94 - HB3 LEU 70 far 0 77 0 - 6.2-11.5 HB2 SER 94 - HB2 LEU 70 far 0 87 0 - 7.0-11.7 HA ALA 46 - HB3 LEU 70 far 0 88 0 - 7.9-10.6 HA3 GLY 75 - HB2 LEU 70 far 0 96 0 - 8.7-10.9 HA ALA 46 - HB2 LEU 70 far 0 97 0 - 9.3-11.3 HA3 GLY 75 - HB3 LEU 70 far 0 87 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2237 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 90 90 - 100 Peak 2238 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 70 + HB2 LEU 70 OK 98 98 - 100 HB3 LEU 70 + HB3 LEU 70 OK 94 94 - 100 Reference assignment not found: HB3 LEU 70 - HB2 LEU 70 Peak 2239 from aliabs.peaks (1.61, 1.71, 41.52 ppm; 4.74 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-2.8 3.0=100 HG LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.5-3.0 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 92 0 - 7.2-11.4 HB2 LEU 122 - HB3 LEU 70 far 0 94 0 - 7.4-9.7 HG LEU 122 - HB2 LEU 70 far 0 99 0 - 8.8-12.6 HB2 LEU 122 - HB2 LEU 70 far 0 100 0 - 9.0-11.4 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 14 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-2.7 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.5-3.2 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 5 92 5 - 4.7-9.4 QD2 LEU 122 - HB3 LEU 70 far 3 59 5 - 4.6-8.7 QD2 LEU 49 - HB3 LEU 70 far 0 82 0 - 5.6-8.4 QG2 ILE 129 - HB3 LEU 70 far 0 87 0 - 5.9-8.4 QD2 LEU 122 - HB2 LEU 70 far 0 68 0 - 5.9-9.6 QD1 LEU 122 - HB2 LEU 70 far 0 99 0 - 6.1-10.0 QG2 ILE 129 - HB2 LEU 70 far 0 96 0 - 6.9-8.9 QD2 LEU 49 - HB2 LEU 70 far 0 92 0 - 7.1-8.7 QG2 ILE 32 - HB2 LEU 70 far 0 65 0 - 7.8-16.8 QG2 ILE 32 - HB3 LEU 70 far 0 57 0 - 8.4-17.7 QD1 LEU 53 - HB3 LEU 70 far 0 75 0 - 8.7-14.6 QG1 VAL 133 - HB3 LEU 70 far 0 57 0 - 9.5-12.8 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 12 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 2.0-2.3 3.2=100 QD2 LEU 69 - HB3 LEU 70 poor 18 90 20 - 3.3-7.2 QD2 LEU 69 - HB2 LEU 70 far 5 98 5 - 4.7-7.4 QD1 LEU 98 - HB3 LEU 70 far 0 94 0 - 6.1-10.2 QD1 LEU 98 - HB2 LEU 70 far 0 100 0 - 6.7-11.1 QD2 LEU 98 - HB3 LEU 70 far 0 62 0 - 7.4-10.8 QG2 ILE 32 - HB2 LEU 70 far 0 87 0 - 7.8-16.8 QG2 ILE 32 - HB3 LEU 70 far 0 77 0 - 8.4-17.7 QD2 LEU 98 - HB2 LEU 70 far 0 71 0 - 8.4-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 77 0 - 9.5-12.8 QD2 LEU 123 - HB3 LEU 70 far 0 62 0 - 9.8-14.1 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 3 assignments used, quality = 1.00: * H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.3-3.5 4.3=100 H ASP 71 + HB3 LEU 70 OK 94 94 100 100 3.2-4.3 4.3=100 H GLU 91 - HB3 LEU 70 far 0 87 0 - 9.8-14.1 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 2 assignments used, quality = 1.00: * HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.1-5.6 9462/3.2=80...(24) HA HIS 67 + HB2 LEU 70 OK 94 94 100 100 2.6-5.0 9462/3.2=80...(23) 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 8 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-3.5 3.2=100 H LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.9-3.5 3.2=100 H VAL 93 - HB3 LEU 70 far 0 63 0 - 6.5-10.6 H LEU 100 - HB3 LEU 70 far 0 76 0 - 6.9-8.2 H LEU 100 - HB2 LEU 70 far 0 66 0 - 7.9-9.1 H VAL 93 - HB2 LEU 70 far 0 54 0 - 8.0-11.3 H ALA 12 - HB2 LEU 70 far 0 84 0 - 8.9-44.5 H ALA 12 - HB3 LEU 70 far 0 93 0 - 9.8-45.6 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 8 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.7-3.0 3.0=100 HB2 SER 94 - HB3 LEU 70 far 0 87 0 - 6.2-11.5 HB2 SER 94 - HB2 LEU 70 far 0 77 0 - 7.0-11.7 HA ALA 46 - HB3 LEU 70 far 0 97 0 - 7.9-10.6 HA3 GLY 75 - HB2 LEU 70 far 0 87 0 - 8.7-10.9 HA ALA 46 - HB2 LEU 70 far 0 88 0 - 9.3-11.3 HA3 GLY 75 - HB3 LEU 70 far 0 96 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2246 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 70 + HB3 LEU 70 OK 98 98 - 100 HB2 LEU 70 + HB2 LEU 70 OK 94 94 - 100 Reference assignment not found: HB2 LEU 70 - HB3 LEU 70 Peak 2247 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 90 90 - 100 Peak 2248 from aliabs.peaks (1.61, 1.71, 41.52 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.3-2.8 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 99 0 - 7.2-11.4 HB2 LEU 122 - HB3 LEU 70 far 0 100 0 - 7.4-9.7 HG LEU 122 - HB2 LEU 70 far 0 92 0 - 8.8-12.6 HB2 LEU 122 - HB2 LEU 70 far 0 94 0 - 9.0-11.4 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 14 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.2 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 94 94 100 100 1.9-2.7 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 5 99 5 - 4.7-9.4 QD2 LEU 122 - HB3 LEU 70 far 3 68 5 - 4.6-8.7 QD2 LEU 49 - HB3 LEU 70 far 0 92 0 - 5.6-8.4 QG2 ILE 129 - HB3 LEU 70 far 0 96 0 - 5.9-8.4 QD2 LEU 122 - HB2 LEU 70 far 0 59 0 - 5.9-9.6 QD1 LEU 122 - HB2 LEU 70 far 0 92 0 - 6.1-10.0 QG2 ILE 129 - HB2 LEU 70 far 0 87 0 - 6.9-8.9 QD2 LEU 49 - HB2 LEU 70 far 0 82 0 - 7.1-8.7 QG2 ILE 32 - HB2 LEU 70 far 0 57 0 - 7.8-16.8 QG2 ILE 32 - HB3 LEU 70 far 0 65 0 - 8.4-17.7 QD1 LEU 53 - HB3 LEU 70 far 0 85 0 - 8.7-14.6 QG1 VAL 133 - HB3 LEU 70 far 0 65 0 - 9.5-12.8 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 12 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-2.3 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 poor 20 98 20 - 3.3-7.2 QD2 LEU 69 - HB2 LEU 70 far 4 90 5 - 4.7-7.4 QD1 LEU 98 - HB3 LEU 70 far 0 100 0 - 6.1-10.2 QD1 LEU 98 - HB2 LEU 70 far 0 94 0 - 6.7-11.1 QD2 LEU 98 - HB3 LEU 70 far 0 71 0 - 7.4-10.8 QG2 ILE 32 - HB2 LEU 70 far 0 77 0 - 7.8-16.8 QG2 ILE 32 - HB3 LEU 70 far 0 87 0 - 8.4-17.7 QD2 LEU 98 - HB2 LEU 70 far 0 62 0 - 8.4-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 87 0 - 9.5-12.8 QD2 LEU 123 - HB3 LEU 70 far 0 71 0 - 9.8-14.1 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 3 assignments used, quality = 1.00: * H ASP 71 + HB3 LEU 70 OK 100 100 100 100 3.2-4.3 4.3=100 H ASP 71 + HB2 LEU 70 OK 94 94 100 100 2.3-3.5 4.3=100 H GLU 91 - HB3 LEU 70 far 0 96 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2253 from aliabs.peaks (3.88, 1.61, 27.00 ppm; 5.14 A): 4 out of 17 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 3.4-3.7 3.7=100 HA2 GLY 114 + HG LEU 119 OK 59 92 65 99 2.8-9.2 10163/2.1=64, ~10160=61...(9) HA LEU 123 + HG LEU 122 OK 31 52 60 99 4.1-6.6 ~3899=57, ~11099=43...(21) HD2 PRO 117 + HG LEU 119 OK 26 60 45 97 5.5-8.2 4.8/11584=51...(9) HB2 SER 60 - HG LEU 22 far 0 50 0 - 7.3-46.3 HB3 SER 60 - HG LEU 22 far 0 50 0 - 7.3-45.7 HA LEU 70 - HG LEU 122 far 0 97 0 - 7.9-12.4 HB2 SER 94 - HG LEU 70 far 0 87 0 - 8.1-10.6 HA LEU 123 - HG LEU 119 far 0 48 0 - 8.3-10.0 HA ALA 46 - HG LEU 122 far 0 92 0 - 8.4-10.9 HA ALA 46 - HG LEU 70 far 0 97 0 - 8.5-11.9 HB2 SER 33 - HG3 ARG 23 far 0 61 0 - 8.9-25.4 HB3 SER 50 - HG LEU 122 far 0 97 0 - 9.4-13.1 HA2 GLY 114 - HG LEU 122 far 0 97 0 - 9.5-16.0 HA3 GLY 75 - HG3 ARG 23 far 0 89 0 - 9.6-32.0 HD2 PRO 117 - HG LEU 122 far 0 65 0 - 9.7-13.4 HB2 SER 33 - HG LEU 22 far 0 52 0 - 9.9-26.9 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 6 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LEU 70 + HG LEU 70 OK 98 98 100 100 2.5-3.0 3.0=100 HG LEU 98 - HG LEU 122 far 5 96 5 - 5.4-11.0 HB3 LEU 70 - HG LEU 122 far 0 94 0 - 7.2-11.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.7-10.4 HB2 LEU 70 - HG LEU 122 far 0 97 0 - 8.8-12.6 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 11 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 70 + HG LEU 70 OK 98 98 100 100 2.3-2.8 3.0=100 HB2 LYS 31 - HG3 ARG 23 far 3 53 5 - 3.9-19.2 HB2 LYS 19 - HG3 ARG 23 far 3 53 5 - 5.3-13.9 HG LEU 98 - HG LEU 122 far 0 96 0 - 5.4-11.0 HB2 LYS 19 - HG LEU 22 far 0 45 0 - 7.1-12.7 HB2 LYS 31 - HG LEU 22 far 0 45 0 - 7.1-22.7 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 7.2-11.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.7-10.4 HB2 LEU 70 - HG LEU 122 far 0 94 0 - 8.8-12.6 HG3 ARG 90 - HG LEU 70 far 0 76 0 - 9.8-13.7 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 23 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 4 86 5 - 3.6-6.4 QD1 LEU 53 - HG LEU 122 far 4 79 5 - 3.3-8.9 QD2 LEU 122 - HG LEU 119 far 3 57 5 - 3.8-8.6 QD1 LEU 122 - HG LEU 119 far 0 90 0 - 4.4-7.9 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 4.6-8.5 QD2 LEU 122 - HG LEU 70 far 0 68 0 - 4.7-8.4 QD2 LEU 22 - HG3 ARG 23 far 0 53 0 - 4.8-8.3 QD1 LEU 122 - HG LEU 70 far 0 99 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 73 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 92 0 - 5.5-9.0 QG2 ILE 32 - HG LEU 22 far 0 50 0 - 5.9-20.5 QD1 LEU 70 - HG LEU 122 far 0 97 0 - 6.2-9.8 QG2 ILE 32 - HG3 ARG 23 far 0 58 0 - 6.6-19.6 QG2 ILE 129 - HG LEU 70 far 0 96 0 - 6.9-9.2 QD2 LEU 49 - HG LEU 119 far 0 80 0 - 7.3-10.3 QG2 ILE 129 - HG LEU 122 far 0 90 0 - 8.1-11.6 QD1 LEU 53 - HG LEU 70 far 0 85 0 - 8.5-15.1 QG2 ILE 32 - HG LEU 70 far 0 65 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 2258 from aliabs.peaks (0.86, 1.61, 27.00 ppm; 4.46 A): 3 out of 19 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 69 + HG LEU 70 OK 29 98 35 84 5.1-8.5 6945/6949=24, ~2187=18...(11) QD2 LEU 123 - HG LEU 122 far 10 65 15 - 4.7-8.0 QG2 VAL 57 - HG LEU 119 far 9 92 10 - 4.5-7.5 QD2 LEU 70 - HG LEU 122 poor 6 97 25 24 4.7-7.5 11115/11792=14...(5) QD2 LEU 69 - HG LEU 122 far 5 94 5 - 5.3-8.9 QD2 LEU 22 - HG3 ARG 23 far 4 83 5 - 4.8-8.3 QD2 LEU 123 - HG LEU 119 far 0 60 0 - 5.4-8.6 QD1 LEU 98 - HG LEU 122 far 0 97 0 - 5.8-10.1 QG2 ILE 32 - HG LEU 22 far 0 69 0 - 5.9-20.5 QD1 LEU 98 - HG LEU 70 far 0 100 0 - 6.3-10.7 QD2 LEU 98 - HG LEU 122 far 0 65 0 - 6.3-9.4 QG2 ILE 32 - HG3 ARG 23 far 0 79 0 - 6.6-19.6 QG2 VAL 57 - HG LEU 122 far 0 97 0 - 7.7-11.1 QD2 LEU 98 - HG LEU 70 far 0 71 0 - 8.4-10.2 QD1 LEU 98 - HG LEU 119 far 0 92 0 - 9.5-14.9 QG2 ILE 32 - HG LEU 70 far 0 87 0 - 9.7-16.8 QD2 LEU 123 - HG LEU 70 far 0 71 0 - 10.0-14.0 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 3.4-4.3 6950=98, 2268/2.1=64...(25) H LEU 100 + QD1 LEU 122 OK 36 67 55 97 2.5-5.5 10026/2.1=29, 10026=24...(37) H LEU 100 - QD1 LEU 70 far 0 76 0 - 5.0-6.9 H LEU 70 - QD1 LEU 122 far 0 95 0 - 5.4-8.7 H VAL 93 - QD1 LEU 70 far 0 63 0 - 5.7-8.6 H VAL 93 - QD1 LEU 122 far 0 55 0 - 8.2-10.7 H ASP 47 - QD1 LEU 122 far 0 92 0 - 8.3-11.3 H ALA 12 - QD1 LEU 70 far 0 93 0 - 9.8-38.6 Violated in 2 structures by 0.01 A. Peak 2261 from aliabs.peaks (3.88, 0.81, 25.48 ppm; 3.65 A): 2 out of 15 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-4.1 2228=91, 2269/2.1=81...(19) HA LEU 123 + QD1 LEU 122 OK 25 50 55 91 2.2-6.1 2.9/3899=44, 4.9/3893=19...(24) HB2 SER 94 - QD1 LEU 70 far 0 87 0 - 5.3-8.1 HA LEU 70 - QD1 LEU 122 far 0 95 0 - 5.7-9.7 HA ALA 46 - QD1 LEU 122 far 0 89 0 - 5.8-8.7 HA3 GLY 75 - QD1 LEU 70 far 0 96 0 - 7.0-10.7 HB3 SER 50 - QD1 LEU 122 far 0 95 0 - 7.2-10.6 HA2 GLY 114 - QD1 LEU 122 far 0 95 0 - 7.8-14.3 HA ALA 46 - QD1 LEU 70 far 0 97 0 - 8.3-10.0 HB2 SER 60 - QD1 LEU 122 far 0 58 0 - 8.7-11.4 HB3 SER 60 - QD1 LEU 122 far 0 58 0 - 8.8-11.3 HD2 PRO 117 - QD1 LEU 122 far 0 62 0 - 8.8-11.2 HA LEU 123 - QD1 LEU 70 far 0 57 0 - 9.5-12.3 HB2 SER 94 - QD1 LEU 122 far 0 78 0 - 9.7-12.2 HA LYS 86 - QD1 LEU 70 far 0 99 0 - 10.0-13.7 Violated in 3 structures by 0.05 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 1.9-2.7 3.2=100 HB3 LEU 70 + QD1 LEU 70 OK 98 98 100 100 2.5-3.2 3.2=100 HB3 LEU 70 - QD1 LEU 122 far 0 91 0 - 4.7-9.4 HG LEU 98 - QD1 LEU 122 far 0 94 0 - 5.6-10.0 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.1-8.4 HB2 LEU 70 - QD1 LEU 122 far 0 95 0 - 6.1-10.0 HG LEU 48 - QD1 LEU 122 far 0 92 0 - 9.3-11.7 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 2.5-3.2 3.2=100 HB2 LEU 70 + QD1 LEU 70 OK 98 98 100 100 1.9-2.7 3.2=100 HB3 LEU 70 - QD1 LEU 122 far 0 95 0 - 4.7-9.4 HG LEU 98 - QD1 LEU 122 far 0 94 0 - 5.6-10.0 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.1-8.4 HB2 LEU 70 - QD1 LEU 122 far 0 91 0 - 6.1-10.0 HG3 ARG 90 - QD1 LEU 70 far 0 76 0 - 6.3-11.5 HB2 LYS 19 - QD1 LEU 70 far 0 60 0 - 9.3-27.6 HG LEU 48 - QD1 LEU 122 far 0 95 0 - 9.3-11.7 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 7 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 122 OK 94 94 100 100 2.0-3.2 3.1=98, 3.0/3893=24...(22) HG LEU 122 + QD1 LEU 122 OK 92 92 100 100 2.1-2.1 2.1=100 HG LEU 119 - QD1 LEU 122 far 0 90 0 - 4.4-7.9 HG LEU 70 - QD1 LEU 122 far 0 95 0 - 5.4-8.5 HB2 LEU 122 - QD1 LEU 70 far 0 100 0 - 5.8-9.8 HG LEU 122 - QD1 LEU 70 far 0 99 0 - 6.2-9.8 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 15 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 123 - QD1 LEU 122 poor 16 62 25 - 2.7-6.8 QD2 LEU 70 - QD1 LEU 122 far 5 95 5 - 3.3-5.9 QD2 LEU 69 - QD1 LEU 122 far 5 91 5 - 3.1-6.4 QD2 LEU 69 - QD1 LEU 70 far 0 98 0 - 4.7-7.0 QD1 LEU 98 - QD1 LEU 70 far 0 100 0 - 5.1-8.3 QD1 LEU 98 - QD1 LEU 122 far 0 95 0 - 5.3-9.3 QG2 VAL 57 - QD1 LEU 122 far 0 95 0 - 5.9-8.2 QD2 LEU 98 - QD1 LEU 70 far 0 71 0 - 5.9-7.9 QD2 LEU 98 - QD1 LEU 122 far 0 62 0 - 6.4-8.9 QG1 VAL 133 - QD1 LEU 70 far 0 87 0 - 8.0-11.8 QG2 ILE 32 - QD1 LEU 70 far 0 87 0 - 8.1-15.0 QD2 LEU 123 - QD1 LEU 70 far 0 71 0 - 9.2-12.3 QG1 VAL 133 - QD1 LEU 122 far 0 78 0 - 9.2-13.8 QD2 LEU 22 - QD1 LEU 70 far 0 90 0 - 9.7-25.2 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 3.4-4.3 6964=100, 2275/2.1=97...(25) H ASN 121 + QD1 LEU 122 OK 86 86 100 100 3.3-6.7 3.8/11092=75...(19) H ASP 71 - QD1 LEU 122 far 0 95 0 - 7.5-10.9 H GLU 91 - QD1 LEU 70 far 0 96 0 - 8.3-11.5 Violated in 0 structures by 0.00 A. Peak 2268 from aliabs.peaks (8.46, 0.86, 25.01 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.6 2.9/2269=64, 6950/2.1=58...(22) H LEU 100 + QD2 LEU 70 OK 23 76 40 76 4.0-5.0 4.9/11107=32...(13) H VAL 93 - QD2 LEU 70 far 0 63 0 - 6.0-7.3 H ASP 47 - QD2 LEU 70 far 0 99 0 - 9.4-11.4 H ALA 12 - QD2 LEU 70 far 0 93 0 - 9.9-38.3 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 6 assignments used, quality = 0.99: * HA LEU 70 + QD2 LEU 70 OK 99 100 100 99 2.1-3.4 2229=72, 2261/2.1=48...(17) HB2 SER 94 - QD2 LEU 70 far 0 87 0 - 6.5-7.4 HA ALA 46 - QD2 LEU 70 far 0 97 0 - 6.5-8.7 HA LEU 123 - QD2 LEU 70 far 0 57 0 - 7.5-10.1 HA3 GLY 75 - QD2 LEU 70 far 0 96 0 - 9.1-11.6 HB3 SER 50 - QD2 LEU 70 far 0 100 0 - 9.6-13.3 Violated in 4 structures by 0.04 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 2.0-2.3 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 5.8-7.0 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 2.0-2.3 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 - 5.8-7.0 HG3 ARG 90 - QD2 LEU 70 far 0 76 0 - 7.8-10.4 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 HB2 LEU 122 - QD2 LEU 70 far 0 100 0 - 4.4-7.4 HG LEU 122 - QD2 LEU 70 far 0 99 0 - 4.7-7.5 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 9 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 5 99 5 - 3.3-5.9 QD2 LEU 122 - QD2 LEU 70 far 3 68 5 - 3.2-5.6 QD2 LEU 49 - QD2 LEU 70 far 0 92 0 - 4.3-6.4 QG2 ILE 129 - QD2 LEU 70 far 0 96 0 - 5.0-6.4 QD1 LEU 53 - QD2 LEU 70 far 0 85 0 - 6.2-11.1 QG1 VAL 133 - QD2 LEU 70 far 0 65 0 - 7.9-10.9 QD2 LEU 119 - QD2 LEU 70 far 0 76 0 - 8.4-11.1 QG2 ILE 32 - QD2 LEU 70 far 0 65 0 - 8.8-15.3 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 3 assignments used, quality = 1.00: * H ASP 71 + QD2 LEU 70 OK 100 100 100 100 4.0-4.9 3.6/2269=86, 6964/2.1=72...(21) H GLU 91 - QD2 LEU 70 far 0 96 0 - 9.2-10.2 H ASN 121 - QD2 LEU 70 far 0 95 0 - 9.7-11.1 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 2.8-2.9 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 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2279 from aliabs.peaks (2.81, 4.42, 57.33 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2280 from aliabs.peaks (8.32, 4.42, 57.33 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 72 + HA ASP 71 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 69 - HA ASP 71 far 0 76 0 - 6.5-7.3 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 = 0.97: * HB2 SER 74 + HA ASP 71 OK 83 100 100 83 3.4-4.2 2341=50, 3.9/7004=44...(4) HB3 SER 74 + HA ASP 71 OK 83 100 100 83 2.6-4.3 2341=50, 3.9/7004=44...(4) Violated in 0 structures by 0.00 A. Peak 2283 from aliabs.peaks (4.06, 4.42, 57.33 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.97: * HB3 SER 74 + HA ASP 71 OK 83 100 100 83 2.6-4.3 2341=50, 3.9/7004=44...(4) HB2 SER 74 + HA ASP 71 OK 83 100 100 83 3.4-4.2 2341=50, 3.9/7004=44...(4) Violated in 0 structures by 0.00 A. Peak 2284 from aliabs.peaks (4.00, 2.61, 39.26 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 68 + HB2 ASP 71 OK 100 100 100 100 2.4-4.3 2128=100, 2129/1.8=86...(14) HA ILE 37 - HB2 ASP 71 far 0 87 0 - 6.9-10.9 Violated in 2 structures by 0.01 A. Peak 2285 from aliabs.peaks (8.13, 2.61, 39.26 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.1-3.5 4.0=100 H ILE 32 - HB2 ASP 71 far 0 99 0 - 8.9-17.8 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 2.3-3.0 3.0=100 HA SER 33 - HB2 ASP 71 far 0 73 0 - 7.9-12.8 HA MET 11 - HB2 ASP 71 far 0 100 0 - 8.0-42.1 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 HB3 ASP 64 - HB2 ASP 71 far 0 100 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 2289 from aliabs.peaks (8.32, 2.61, 39.26 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 72 + HB2 ASP 71 OK 100 100 100 100 2.7-4.1 4.6=100 H LEU 69 + HB2 ASP 71 OK 47 76 65 96 4.8-6.6 3.6/2128=71...(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 2.4-4.5 2129=100, 2128/1.8=80...(13) HA ILE 37 - HB3 ASP 71 far 0 87 0 - 7.0-10.1 Violated in 6 structures by 0.08 A. Peak 2291 from aliabs.peaks (8.13, 2.81, 39.26 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.2-3.4 4.0=100 H ILE 32 - HB3 ASP 71 far 0 99 0 - 8.4-17.4 Violated in 0 structures by 0.00 A. Peak 2292 from aliabs.peaks (4.42, 2.81, 39.26 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 33 - HB3 ASP 71 far 0 73 0 - 6.9-12.2 HA MET 11 - HB3 ASP 71 far 0 100 0 - 9.1-42.6 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 2.5-4.1 4.6=100 H LEU 69 + HB3 ASP 71 OK 37 76 50 98 4.7-6.5 3.6/2129=76, 3.6/9499=39...(9) 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 - 7.0-7.9 H GLU 44 - HA TYR 72 far 0 97 0 - 9.4-11.5 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 2.4-2.6 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 3.0-3.0 3.0=100 HB2 HIS 67 - HA TYR 72 far 0 100 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 2300 from aliabs.peaks (7.14, 4.54, 60.34 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 100 100 1.9-2.8 3.4=100 HD2 HIS 67 - HA TYR 72 far 0 68 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 2301 from aliabs.peaks (6.80, 4.54, 60.34 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: * QE TYR 72 + HA TYR 72 OK 99 100 100 99 4.2-4.5 5.2=63, 10840/10749=52...(12) HE21 GLN 68 - HA TYR 72 far 0 96 0 - 8.3-10.9 Violated in 2 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 3.6-5.0 2177=100, 2178/1.8=99...(21) HA CYS 73 + HB2 TYR 72 OK 57 60 100 95 4.1-4.6 ~6996=54, 9102/10874=42...(8) HA2 GLY 75 - HB2 TYR 72 poor 19 76 25 - 6.0-8.0 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 3 assignments used, quality = 1.00: * H TYR 72 + HB2 TYR 72 OK 100 100 100 100 3.6-3.6 3.8=100 H LEU 69 + HB2 TYR 72 OK 65 76 85 100 6.0-7.5 2.9/2177=89, ~2178=80...(17) H GLU 44 - HB2 TYR 72 poor 19 97 20 - 7.0-9.3 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 2.4-2.6 3.0=100 HA SER 38 - HB2 TYR 72 far 0 100 0 - 6.2-8.0 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 3 assignments used, quality = 1.00: * HB3 TYR 72 + HB2 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 67 - HB2 TYR 72 far 0 100 0 - 9.8-12.5 HB3 PHE 89 - HB2 TYR 72 far 0 100 0 - 9.9-11.4 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 2.5-2.8 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 - 7.6-10.5 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 2.1-3.4 2178=100, 6973/3.8=100...(25) HA CYS 73 + HB3 TYR 72 OK 60 60 100 100 4.1-4.5 9529/1.8=77, ~6996=68...(11) HA2 GLY 75 - HB3 TYR 72 poor 19 76 25 - 6.8-8.5 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 4 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.6 3.8=100 H LEU 69 + HB3 TYR 72 OK 76 76 100 100 4.4-5.9 2.9/2178=98, 4.3/9514=78...(20) H GLU 44 - HB3 TYR 72 far 10 97 10 - 7.3-9.3 H LEU 49 - HB3 TYR 72 far 0 81 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 2313 from aliabs.peaks (4.54, 3.34, 37.59 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + HB3 TYR 72 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 38 - HB3 TYR 72 far 0 100 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 2314 from aliabs.peaks (3.02, 3.34, 37.59 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB3 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2315 from aliabs.peaks (3.34, 3.34, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 72 + HB3 TYR 72 OK 100 100 - 100 Peak 2316 from aliabs.peaks (7.14, 3.34, 37.59 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.5 2.7=100 HD2 HIS 67 - HB3 TYR 72 far 0 68 0 - 9.0-11.8 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 3 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 76 + HA CYS 73 OK 69 71 100 98 1.8-4.4 3.8/11789=47...(20) HB3 ASP 78 - HA CYS 73 far 0 92 0 - 8.1-10.1 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 2.5-3.0 3.0=100 HB3 PHE 89 - HA CYS 73 far 0 60 0 - 6.0-7.6 HB2 PHE 89 - HA CYS 73 far 0 99 0 - 6.4-7.5 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 6 assignments used, quality = 1.00: * HA LEU 70 + HB2 CYS 73 OK 100 100 100 100 2.3-4.9 2232=100, 2233/1.8=100...(15) HA3 GLY 75 - HB2 CYS 73 far 0 96 0 - 7.1-8.0 HA LYS 86 - HB2 CYS 73 far 0 99 0 - 7.1-9.0 HB2 SER 94 - HB2 CYS 73 far 0 87 0 - 7.4-9.0 HA ALA 46 - HB2 CYS 73 far 0 97 0 - 8.2-10.8 HD2 PRO 81 - HB2 CYS 73 far 0 60 0 - 9.4-12.4 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 2.5-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2326 from aliabs.peaks (4.38, 2.74, 27.42 ppm; 5.73 A): 2 out of 4 assignments used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 69 + HB2 CYS 73 OK 35 60 60 96 5.3-7.2 4.9/2232=67, 6988/3.8=41...(13) HA ASP 78 - HB2 CYS 73 far 0 99 0 - 8.4-10.6 HA CYS 125 - HB2 CYS 73 far 0 81 0 - 9.5-11.5 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 9 60 15 - 5.1-7.2 HB2 PHE 89 - HB2 CYS 73 far 5 99 5 - 5.3-8.0 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 6 assignments used, quality = 1.00: * HA LEU 70 + HB3 CYS 73 OK 100 100 100 100 2.4-4.0 2233=100, 2232/1.8=94...(18) HA ALA 46 - HB3 CYS 73 far 0 97 0 - 6.8-10.0 HA3 GLY 75 - HB3 CYS 73 far 0 96 0 - 7.0-8.4 HA LYS 86 - HB3 CYS 73 far 0 99 0 - 7.3-10.2 HB2 SER 94 - HB3 CYS 73 far 0 87 0 - 7.6-10.1 HD2 PRO 81 - HB3 CYS 73 far 0 60 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 2332 from aliabs.peaks (4.38, 3.31, 27.42 ppm; 5.02 A): 2 out of 3 assignments used, quality = 1.00: * HA CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 69 + HB3 CYS 73 OK 45 60 80 94 3.9-6.3 4.9/2233=55, 6988/3.8=33...(18) HA ASP 78 - HB3 CYS 73 far 0 99 0 - 9.4-11.4 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 48 71 70 97 4.2-7.2 ~11160=39, ~11137=39...(17) HB2 CYS 125 - HB3 CYS 73 far 0 99 0 - 8.2-10.5 HB3 ASP 78 - HB3 CYS 73 far 0 92 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 2334 from aliabs.peaks (3.31, 3.31, 27.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 73 + HB3 CYS 73 OK 100 100 - 100 Peak 2335 from aliabs.peaks (8.41, 3.31, 27.42 ppm; 6.63 A): 2 out of 2 assignments used, quality = 1.00: * H SER 74 + HB3 CYS 73 OK 100 100 100 100 2.4-3.9 4.4=100 H VAL 93 + HB3 CYS 73 OK 67 71 100 95 5.4-6.9 3.9/9581=89, 3.9/9579=37...(4) 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 4 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 100 100 2.7-2.9 2.9=100 H VAL 93 - HA SER 74 far 0 71 0 - 7.5-10.0 H VAL 93 - HA PHE 87 far 0 25 0 - 7.6-8.3 H MET 11 - HA THR 18 far 0 67 0 - 8.6-21.2 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 2.3-2.6 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 SER 74 - HA THR 25 far 0 99 0 - 8.5-30.2 HA ALA 92 - HA PHE 87 far 0 44 0 - 8.9-9.7 HB2 SER 74 - HA THR 25 far 0 99 0 - 9.2-31.9 HB THR 65 - HA THR 25 far 0 96 0 - 9.9-37.6 HA GLU 44 - HA THR 25 far 0 91 0 - 10.0-34.3 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 2.9-3.0 3.0=100 HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.6 3.0=100 HA PHE 89 - HA PHE 87 far 0 24 0 - 6.4-6.9 HA PHE 89 - HA SER 74 far 0 68 0 - 8.4-11.0 HB3 SER 74 - HA THR 25 far 0 99 0 - 8.5-30.2 HA ALA 92 - HA PHE 87 far 0 43 0 - 8.9-9.7 HB2 SER 74 - HA THR 25 far 0 99 0 - 9.2-31.9 HB THR 65 - HA THR 25 far 0 98 0 - 9.9-37.6 HA GLU 44 - HA THR 25 far 0 85 0 - 10.0-34.3 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 2 assignments used, quality = 0.96: * HA ASP 71 + HB2 SER 74 OK 81 100 100 81 3.4-4.2 2282=47, 7004/3.9=42...(4) HA ASP 71 + HB3 SER 74 OK 80 99 100 81 2.6-4.3 2282=47, 7004/3.9=42...(4) Violated in 0 structures by 0.00 A. Peak 2342 from aliabs.peaks (8.41, 4.05, 62.42 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: * H SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-3.1 3.9=100 H SER 74 + HB3 SER 74 OK 99 99 100 100 2.1-2.8 3.9=100 H VAL 93 - HB2 SER 74 far 0 71 0 - 8.3-11.1 H VAL 93 - HB3 SER 74 far 0 69 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2343 from aliabs.peaks (4.29, 4.05, 62.42 ppm; 3.13 A): 2 out of 11 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-2.6 3.0=100 HA SER 74 + HB3 SER 74 OK 99 99 100 100 2.9-3.0 3.0=100 HA ALA 16 - HB3 SER 74 far 0 94 0 - 5.5-37.5 HA ALA 16 - HB2 SER 74 far 0 96 0 - 5.6-38.8 HA TYR 76 - HB3 SER 74 far 0 83 0 - 6.9-7.9 HA TYR 76 - HB2 SER 74 far 0 85 0 - 8.2-8.8 HA THR 25 - HB3 SER 74 far 0 99 0 - 8.5-30.2 HA ALA 15 - HB3 SER 74 far 0 97 0 - 8.7-38.9 HA LYS 19 - HB3 SER 74 far 0 87 0 - 8.8-30.3 HA ALA 15 - HB2 SER 74 far 0 98 0 - 8.8-40.5 HA THR 25 - HB2 SER 74 far 0 100 0 - 9.2-31.9 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 2 assignments used, quality = 0.98: * HA ASP 71 + HB3 SER 74 OK 85 100 100 85 2.6-4.3 2283=50, 7004/3.9=47...(4) HA ASP 71 + HB2 SER 74 OK 84 99 100 85 3.4-4.2 2283=50, 7004/3.9=47...(4) 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 11 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 74 + HB2 SER 74 OK 99 99 100 100 2.3-2.6 3.0=100 HA ALA 16 - HB3 SER 74 far 0 96 0 - 5.5-37.5 HA ALA 16 - HB2 SER 74 far 0 94 0 - 5.6-38.8 HA TYR 76 - HB3 SER 74 far 0 85 0 - 6.9-7.9 HA TYR 76 - HB2 SER 74 far 0 83 0 - 8.2-8.8 HA THR 25 - HB3 SER 74 far 0 100 0 - 8.5-30.2 HA ALA 15 - HB3 SER 74 far 0 98 0 - 8.7-38.9 HA LYS 19 - HB3 SER 74 far 0 89 0 - 8.8-30.3 HA ALA 15 - HB2 SER 74 far 0 97 0 - 8.8-40.5 HA THR 25 - HB2 SER 74 far 0 99 0 - 9.2-31.9 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 2.4-3.0 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 5 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 - 7.0-13.8 HA LEU 70 - HA2 GLY 75 far 0 96 0 - 8.3-9.8 HA3 GLY 14 - HA2 GLY 75 far 0 68 0 - 8.6-40.0 HA LYS 86 - HA2 GLY 75 far 0 99 0 - 9.5-11.4 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 5 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 - 4.3-4.7 HA ASN 59 - HA2 GLY 114 far 0 69 0 - 6.9-13.7 HA LEU 69 - HA3 GLY 75 far 0 76 0 - 8.7-11.1 HA LYS 24 - HA3 GLY 75 far 0 100 0 - 9.6-30.3 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 2.4-3.0 3.0=100 HB2 CYS 73 - HA TYR 76 far 0 71 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 2364 from aliabs.peaks (3.13, 4.31, 59.75 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 76 + HA TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 90 - HA TYR 76 far 0 57 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 2365 from aliabs.peaks (6.50, 4.31, 59.75 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HA TYR 76 OK 100 100 100 100 3.1-3.2 3.1=100 QE TYR 76 + HA TYR 76 OK 67 71 100 95 4.7-4.9 4.7=72, ~7030=36...(13) Violated in 0 structures by 0.00 A. Peak 2366 from aliabs.peaks (6.48, 4.31, 59.75 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.99: * QE TYR 76 + HA TYR 76 OK 97 100 100 97 4.7-4.9 4.7=62, 9746/9736=40...(14) QD TYR 76 + HA TYR 76 OK 71 71 100 100 3.1-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2369 from aliabs.peaks (4.31, 2.76, 40.83 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 131 + HB2 ASP 131 OK 99 99 100 100 2.4-2.7 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 87 0 - 4.9-5.9 HA SER 74 - HB2 TYR 76 far 0 85 0 - 5.6-7.3 HA LYS 36 - HB2 TYR 76 far 0 76 0 - 9.0-12.3 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 3 assignments used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 90 - HB2 TYR 76 far 0 57 0 - 5.9-12.4 HB3 CYS 45 - HB2 TYR 76 far 0 90 0 - 8.8-10.7 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 2.3-2.6 2.6=100 QE TYR 76 + HB2 TYR 76 OK 71 71 100 100 4.4-4.5 4.5=100 QE TYR 76 - HB2 ASP 131 far 0 68 0 - 9.8-10.8 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 4.4-4.5 4.5=100 QD TYR 76 + HB2 TYR 76 OK 71 71 100 100 2.3-2.6 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 99 0 - 9.8-10.8 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 4 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 13 87 15 - 5.0-5.9 HA SER 74 - HB3 TYR 76 far 0 85 0 - 5.7-7.1 HA LYS 36 - HB3 TYR 76 far 0 76 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 2377 from aliabs.peaks (2.76, 3.13, 40.83 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + HB3 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 + HB3 TYR 76 OK 27 71 40 96 3.9-6.3 3.0/11160=43, ~11126=25...(18) 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 2.3-2.6 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...(15) QD TYR 76 + HB3 TYR 76 OK 71 71 100 100 2.3-2.6 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 2.4-2.6 3.0=100 HG2 GLU 128 + HA ILE 129 OK 82 86 95 100 3.5-6.1 4109/2.9=60...(22) HB VAL 77 - HA ILE 129 far 0 86 0 - 7.2-9.2 HB3 GLN 134 - HA ILE 129 far 0 80 0 - 7.7-10.0 HG2 GLN 127 - HA ILE 129 far 0 86 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 2385 from aliabs.peaks (1.05, 3.45, 65.83 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 77 + HA VAL 77 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 VAL 133 + HA ILE 129 OK 39 77 50 100 3.8-6.5 10566=91, 10562/3.6=48...(19) QG2 VAL 133 - HA VAL 77 far 0 95 0 - 5.5-7.8 QG1 VAL 77 - HA ILE 129 far 0 86 0 - 7.9-9.7 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 7 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 100 100 2.1-2.4 3.2=100 HG12 ILE 80 + HA VAL 77 OK 71 71 100 100 2.8-4.5 2.1/9725=82, ~9649=35...(31) QG2 VAL 77 - HA ILE 129 far 0 86 0 - 6.7-8.6 HG12 ILE 80 - HA ILE 129 far 0 55 0 - 7.8-9.6 HG3 LYS 39 - HA VAL 77 far 0 71 0 - 8.5-11.4 HG3 LYS 39 - HA ILE 129 far 0 55 0 - 8.9-10.9 QB ALA 41 - HA VAL 77 far 0 97 0 - 9.7-11.1 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 2.4-2.6 3.0=100 HA ILE 129 - HB VAL 77 far 0 100 0 - 7.2-9.2 HA LEU 42 - HB VAL 77 far 0 85 0 - 9.9-11.2 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 - 6.6-8.9 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 2 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 - 5.1-6.9 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 3.2-3.2 3.2=100 HA ILE 129 - QG1 VAL 77 far 0 100 0 - 7.9-9.7 HA LEU 42 - QG1 VAL 77 far 0 85 0 - 9.3-10.7 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 1 assignment used, quality = 1.00: * HB VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 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 HG12 ILE 80 - QG1 VAL 77 far 0 71 0 - 5.3-6.8 QG2 THR 25 - QG1 VAL 77 far 0 98 0 - 8.8-21.6 QG2 THR 18 - QG1 VAL 77 far 0 81 0 - 9.0-26.2 QB ALA 41 - QG1 VAL 77 far 0 97 0 - 9.1-10.7 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 2.1-2.4 3.2=84, 3.0/7044=41...(25) HA ILE 129 - QG2 VAL 77 far 0 100 0 - 6.7-8.6 HA LEU 42 - QG2 VAL 77 far 0 85 0 - 9.7-11.2 HA VAL 126 - QG2 VAL 77 far 0 92 0 - 9.8-11.3 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 - 9.0-11.2 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 - 5.6-8.1 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 2.7-3.0 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 2.2-2.3 3.0=100 HB2 CYS 73 - HA ASP 78 far 0 92 0 - 8.4-10.6 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 2 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.7-3.0 3.0=100 HA CYS 73 - HB2 ASP 78 far 0 99 0 - 6.7-8.7 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 HB2 CYS 73 - HB2 ASP 78 far 0 92 0 - 7.9-10.0 HB3 ASP 35 - HB2 ASP 78 far 0 100 0 - 9.8-17.2 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 3 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.2-2.3 3.0=100 HA SER 33 - HB3 ASP 35 far 0 54 0 - 4.6-7.1 HA CYS 73 - HB3 ASP 78 far 0 99 0 - 8.1-10.1 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 - 5.4-7.4 HG3 GLN 127 - HB2 ASP 47 far 0 83 0 - 6.9-10.3 HB2 ASP 78 - HB3 ASP 35 far 0 57 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 2419 from aliabs.peaks (2.72, 2.72, 39.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + HB3 ASP 78 OK 100 100 - 100 HB2 ASP 47 + HB2 ASP 47 OK 92 92 - 100 HB3 ASP 35 + HB3 ASP 35 OK 56 56 - 100 Peak 2422 from aliabs.peaks (4.11, 4.11, 58.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA CYS 79 + HA CYS 79 OK 100 100 - 100 HA GLN 101 + HA GLN 101 OK 85 85 - 100 HA ILE 80 + HA ILE 80 OK 45 45 - 100 Peak 2423 from aliabs.peaks (1.83, 4.11, 58.55 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 100 100 2.6-2.7 3.0=100 HB2 CYS 79 + HA ILE 80 OK 59 60 100 98 4.2-4.7 2427=45, 11214/4.1=44...(15) HB2 LEU 100 + HA GLN 101 OK 49 82 60 100 3.8-5.7 7411/2.9=70...(19) HB3 ARG 135 - HA ILE 80 far 0 53 0 - 8.0-11.3 HB2 ARG 84 - HA ILE 80 far 0 42 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2424 from aliabs.peaks (2.60, 4.11, 58.55 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 CYS 79 + HA ILE 80 OK 58 60 100 96 4.6-4.7 11166/3.0=47, 2432=44...(14) HB2 ASN 59 - HA GLN 101 far 0 82 0 - 8.0-12.0 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 2.6-2.7 3.0=100 HA ILE 80 + HB2 CYS 79 OK 78 85 100 92 4.2-4.7 4.1/11214=33...(15) 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 3.0-3.0 3.0=100 HA ILE 80 - HB3 CYS 79 far 0 85 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 2433 from aliabs.peaks (1.83, 2.60, 26.84 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB3 CYS 79 far 0 76 0 - 9.3-31.8 HB2 LYS 36 - HB3 CYS 79 far 0 95 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 2434 from aliabs.peaks (2.60, 2.60, 26.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB3 CYS 79 OK 100 100 - 100 Peak 2437 from aliabs.peaks (4.12, 4.12, 58.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 HA CYS 79 + HA CYS 79 OK 45 45 - 100 HA GLN 101 + HA GLN 101 OK 43 43 - 100 Peak 2438 from aliabs.peaks (1.74, 4.12, 58.62 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 100 100 2.8-3.0 3.0=100 HB ILE 80 + HA CYS 79 OK 48 60 80 100 5.2-5.7 7073/3.6=80, 9700/2.9=69...(23) HB2 LYS 39 - HA ILE 80 far 0 65 0 - 5.8-10.2 HD3 LYS 39 - HA ILE 80 far 0 78 0 - 6.1-11.3 HB3 LEU 70 - HA GLN 101 far 0 39 0 - 6.6-10.3 HB2 LYS 39 - HA CYS 79 far 0 32 0 - 8.3-12.2 HG LEU 98 - HA GLN 101 far 0 32 0 - 8.3-8.9 HG3 ARG 90 - HA ILE 80 far 0 100 0 - 8.4-11.2 HD3 LYS 39 - HA CYS 79 far 0 40 0 - 9.9-13.9 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 13 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.3-3.0 3.2=100 HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 2.6-3.4 4.1=93, 2.1/2472=77...(21) QG1 VAL 133 + HA ILE 80 OK 38 73 65 79 3.2-7.6 10574/11784=25...(14) QD1 LEU 70 - HA GLN 101 far 3 56 5 - 4.4-8.1 QG2 ILE 80 - HA CYS 79 far 0 60 0 - 5.1-6.1 HG13 ILE 80 - HA CYS 79 far 0 60 0 - 5.3-7.6 QD2 LEU 122 - HA GLN 101 far 0 27 0 - 5.7-9.3 QD1 LEU 122 - HA GLN 101 far 0 53 0 - 5.8-8.9 QG1 VAL 133 - HA CYS 79 far 0 37 0 - 7.2-10.3 QG2 ILE 129 - HA ILE 80 far 0 98 0 - 7.2-8.9 QD2 LEU 49 - HA GLN 101 far 0 43 0 - 8.4-11.1 QD2 LEU 119 - HA GLN 101 far 0 32 0 - 8.8-12.4 QG2 ILE 32 - HA CYS 79 far 0 37 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 2440 from aliabs.peaks (1.21, 4.12, 58.62 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 100 100 1.9-2.8 4.1=100 QG2 VAL 77 + HA ILE 80 OK 28 71 40 99 5.3-6.0 9649/2472=46...(22) HG12 ILE 80 - HA CYS 79 far 3 60 5 - 5.3-6.9 QG2 VAL 77 - HA CYS 79 far 0 35 0 - 6.4-6.9 QG2 THR 83 - HA ILE 80 far 0 81 0 - 7.6-8.2 QG2 THR 83 - HA CYS 79 far 0 42 0 - 8.0-9.4 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 13 assignments used, quality = 1.00: * HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 2.6-3.4 4.1=95, 2.1/2472=78...(21) QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.3-3.0 3.2=100 QG1 VAL 133 + HA ILE 80 OK 33 65 65 76 3.2-7.6 10574/11784=22...(14) QD1 LEU 70 - HA GLN 101 far 3 57 5 - 4.4-8.1 QG2 ILE 80 - HA CYS 79 far 0 60 0 - 5.1-6.1 HG13 ILE 80 - HA CYS 79 far 0 60 0 - 5.3-7.6 QD2 LEU 122 - HA GLN 101 far 0 32 0 - 5.7-9.3 QD1 LEU 122 - HA GLN 101 far 0 55 0 - 5.8-8.9 QG1 VAL 133 - HA CYS 79 far 0 32 0 - 7.2-10.3 QG2 ILE 129 - HA ILE 80 far 0 96 0 - 7.2-8.9 QD2 LEU 49 - HA GLN 101 far 0 47 0 - 8.4-11.1 QD2 LEU 119 - HA GLN 101 far 0 36 0 - 8.8-12.4 QG2 ILE 32 - HA CYS 79 far 0 32 0 - 9.1-13.9 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 2.7-3.9 4.2=100 QD1 ILE 80 - HA CYS 79 far 0 60 0 - 5.7-6.3 QG2 VAL 93 - HA ILE 80 far 0 76 0 - 8.3-10.1 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 2.8-3.0 3.0=100 HA CYS 79 + HB ILE 80 OK 85 85 100 100 5.2-5.7 3.6/7073=89, 2.9/9700=76...(23) HB THR 83 - HB ILE 80 far 0 65 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 2445 from aliabs.peaks (1.74, 1.74, 38.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 2446 from aliabs.peaks (0.81, 1.74, 38.30 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 QG1 VAL 133 - HB ILE 80 far 0 73 0 - 5.0-7.8 QG2 ILE 129 - HB ILE 80 far 0 98 0 - 7.2-8.2 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 2.6-3.0 3.0=100 QG2 VAL 77 + HB ILE 80 OK 71 71 100 100 2.9-3.7 9649/3.2=46...(39) QG2 THR 83 - HB ILE 80 far 0 81 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 2448 from aliabs.peaks (0.81, 1.74, 38.30 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 QG2 ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 133 - HB ILE 80 far 0 65 0 - 5.0-7.8 QG2 ILE 129 - HB ILE 80 far 0 96 0 - 7.2-8.2 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 - 7.6-8.7 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 3.3-3.8 4.0=100 H ILE 80 - QG2 ILE 129 far 0 88 0 - 7.7-8.4 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 2.3-3.0 3.2=100 HB THR 83 - QG2 ILE 80 far 0 65 0 - 4.9-6.2 HA CYS 79 - QG2 ILE 80 far 0 85 0 - 5.1-6.1 HA ILE 80 - QG2 ILE 129 far 0 88 0 - 7.2-8.9 HA CYS 45 - QG2 ILE 129 far 0 82 0 - 8.1-9.3 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 12 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 1.9-2.4 3.2=83, 2.1/4163=65...(19) HG3 ARG 90 - QG2 ILE 129 far 0 87 0 - 5.7-7.7 HB3 LEU 70 - QG2 ILE 129 far 0 64 0 - 5.9-8.4 HG3 ARG 90 - QG2 ILE 80 far 0 100 0 - 6.6-8.6 HD3 LYS 39 - QG2 ILE 80 far 0 78 0 - 7.2-10.4 HB ILE 80 - QG2 ILE 129 far 0 88 0 - 7.2-8.2 HB2 LYS 39 - QG2 ILE 80 far 0 65 0 - 7.5-9.7 HD3 LYS 39 - QG2 ILE 129 far 0 62 0 - 8.0-10.1 HG13 ILE 129 - QG2 ILE 80 far 0 98 0 - 8.4-11.4 HB2 LYS 39 - QG2 ILE 129 far 0 51 0 - 8.4-9.9 HG LEU 98 - QG2 ILE 129 far 0 53 0 - 9.7-11.5 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 2.1-3.2 3.2=99, 2.1/2456=47...(16) QG2 VAL 77 + QG2 ILE 80 OK 25 71 35 99 3.4-4.4 11203=32, 9649/3.1=27...(46) QG2 THR 83 - QG2 ILE 80 poor 10 81 25 52 3.9-5.3 11312/9821=20...(8) QG2 VAL 77 - QG2 ILE 129 far 0 56 0 - 5.2-6.5 HG12 ILE 80 - QG2 ILE 129 far 0 88 0 - 6.0-6.9 QG2 THR 65 - QG2 ILE 129 far 0 76 0 - 7.5-9.2 QG2 THR 83 - QG2 ILE 129 far 0 64 0 - 9.9-10.5 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 2.3-3.1 3.1=70, 2.1/2454=36...(37) QG2 VAL 93 + QG2 ILE 129 OK 54 60 100 91 1.8-2.8 9967/3.0=25...(34) QD1 ILE 80 - QG2 ILE 129 far 0 88 0 - 4.1-4.8 QG2 VAL 93 - QG2 ILE 80 far 0 76 0 - 7.3-8.1 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 1.9-2.8 4.1=100 HA CYS 79 - HG12 ILE 80 far 4 85 5 - 5.3-6.9 HB THR 83 - HG12 ILE 80 far 0 65 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2459 from aliabs.peaks (1.74, 1.21, 27.07 ppm; 4.55 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 39 - HG12 ILE 80 far 0 78 0 - 6.1-10.5 HB2 LYS 39 - HG12 ILE 80 far 0 65 0 - 6.5-9.4 HG3 ARG 90 - HG12 ILE 80 far 0 100 0 - 7.4-9.6 HG13 ILE 129 - HG12 ILE 80 far 0 98 0 - 8.6-11.2 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 2.1-3.2 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 62 73 85 100 2.6-6.3 ~10588=50, ~10588=46...(21) QG2 ILE 129 - HG12 ILE 80 far 0 98 0 - 6.0-6.9 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 2.1-3.2 3.2=100 QG1 VAL 133 + HG12 ILE 80 OK 51 65 80 98 2.6-6.3 ~10588=39, ~10588=35...(21) QG2 ILE 129 - HG12 ILE 80 far 0 96 0 - 6.0-6.9 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 - 7.2-8.2 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 2.6-3.4 4.1=100 HA LEU 49 + QD2 LEU 49 OK 49 49 100 100 2.4-4.0 3.9=100 HA CYS 45 - QD2 LEU 49 poor 20 57 35 - 4.2-6.8 HA CYS 79 - HG13 ILE 80 poor 17 85 20 - 5.3-7.6 HA LEU 48 - QD2 LEU 49 far 0 38 0 - 5.8-7.0 HA ALA 52 - QD2 LEU 49 far 0 59 0 - 6.5-8.2 HB THR 83 - HG13 ILE 80 far 0 65 0 - 7.7-10.6 HA GLN 101 - QD2 LEU 49 far 0 47 0 - 8.4-11.1 HA3 GLY 114 - QD2 LEU 49 far 0 61 0 - 9.1-17.3 HA LEU 98 - QD2 LEU 49 far 0 47 0 - 9.6-11.8 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 9 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.6-3.0 3.0=100 HG13 ILE 129 - QD2 LEU 49 far 0 58 0 - 5.3-8.9 HB3 LEU 70 - QD2 LEU 49 far 0 43 0 - 5.6-8.4 HG LEU 48 - QD2 LEU 49 far 0 41 0 - 6.3-8.0 HG3 ARG 90 - HG13 ILE 80 far 0 100 0 - 6.6-9.3 HD3 LYS 39 - HG13 ILE 80 far 0 78 0 - 7.4-11.3 HB2 LYS 39 - HG13 ILE 80 far 0 65 0 - 8.2-10.6 HG13 ILE 129 - HG13 ILE 80 far 0 98 0 - 8.6-11.2 HG LEU 98 - QD2 LEU 49 far 0 35 0 - 9.2-12.2 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): 3 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 1.9-3.3 10966/2.1=69...(25) QG2 VAL 77 + HG13 ILE 80 OK 42 71 60 100 4.2-5.2 9649/2.1=45, ~9648=38...(41) QG2 THR 83 - HG13 ILE 80 far 0 81 0 - 6.2-8.5 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 - 6.5-8.5 QG2 VAL 93 - HG13 ILE 80 far 0 76 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 2472 from aliabs.peaks (4.12, 0.27, 13.24 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.99: * HA ILE 80 + QD1 ILE 80 OK 99 100 100 99 2.7-3.9 4.2=68, 3.0/7077=55...(17) HA CYS 79 - QD1 ILE 80 far 0 85 0 - 5.7-6.3 HB THR 83 - QD1 ILE 80 far 0 65 0 - 7.6-8.2 Violated in 5 structures by 0.05 A. Peak 2473 from aliabs.peaks (1.74, 0.27, 13.24 ppm; 3.28 A): 1 out of 6 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 5 100 5 - 4.2-6.0 HG13 ILE 129 - QD1 ILE 80 far 0 98 0 - 5.6-8.1 HD3 LYS 39 - QD1 ILE 80 far 0 78 0 - 6.7-9.5 HB2 LYS 39 - QD1 ILE 80 far 0 65 0 - 6.7-9.1 HB3 LEU 70 - QD1 ILE 80 far 0 81 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2474 from aliabs.peaks (0.81, 0.27, 13.24 ppm; 2.92 A): 3 out of 5 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 2.3-3.1 3.1=81, 2454/2.1=40...(37) QG1 VAL 133 + QD1 ILE 80 OK 59 73 85 94 2.3-4.7 2.1/10588=40...(28) QG2 ILE 129 - QD1 ILE 80 far 0 98 0 - 4.1-4.8 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 7.8-11.0 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 2.0-2.9 9649=46, 3.2/9725=41...(48) 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): 3 out of 5 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 2.3-3.1 3.1=91, 2454/2.1=43...(37) QG1 VAL 133 + QD1 ILE 80 OK 53 65 85 95 2.3-4.7 2.1/10588=44...(29) QG2 ILE 129 - QD1 ILE 80 far 0 96 0 - 4.1-4.8 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 7.8-11.0 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 HA3 GLY 114 - HD2 PRO 117 far 0 98 0 - 5.2-9.4 HA CYS 79 - HD2 PRO 81 far 0 85 0 - 5.5-7.1 HB THR 83 - HD2 PRO 81 far 0 65 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 2479 from aliabs.peaks (3.85, 4.12, 58.62 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 81 + HA ILE 80 OK 100 100 100 100 2.0-2.4 3.8=100 HD2 PRO 81 - HA CYS 79 far 0 60 0 - 5.5-7.1 HA LEU 70 - HA GLN 101 far 0 27 0 - 8.4-12.3 HA LEU 62 - HA GLN 101 far 0 45 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 2480 from aliabs.peaks (4.12, 4.04, 50.95 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HD3 PRO 81 OK 100 100 100 100 2.0-2.3 3.8=100 HA CYS 79 - HD3 PRO 81 far 13 85 15 - 5.2-7.1 HB THR 83 - HD3 PRO 81 far 0 65 0 - 8.8-10.5 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 10 assignments used, quality = 1.00: * HD3 PRO 81 + HA ILE 80 OK 100 100 100 100 2.0-2.3 3.8=100 HA GLU 102 + HA GLN 101 OK 50 50 100 100 4.6-4.9 4.8=97, ~7449=42...(13) HD3 PRO 81 - HA CYS 79 far 9 60 15 - 5.2-7.1 HA LEU 103 - HA GLN 101 far 0 38 0 - 6.1-6.8 HA SER 60 - HA GLN 101 far 0 30 0 - 8.1-11.5 HA LEU 96 - HA GLN 101 far 0 45 0 - 8.8-10.1 HA ARG 135 - HA ILE 80 far 0 85 0 - 8.8-11.6 HA ILE 37 - HA CYS 79 far 0 49 0 - 8.9-11.7 HA LEU 122 - HA GLN 101 far 0 56 0 - 9.2-11.2 HA LEU 119 - HA GLN 101 far 0 51 0 - 9.9-12.3 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 2.3-3.0 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 3.0-3.9 3.0=100 HG3 ARG 135 - HD2 PRO 81 far 0 68 0 - 7.0-10.4 HB2 GLN 134 - HD2 PRO 81 far 0 93 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 90 0 - 9.3-11.5 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 2.3-3.0 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 3.0-3.9 3.0=100 HB3 LYS 39 - HD2 PRO 81 far 0 60 0 - 5.2-9.0 HB VAL 118 - HD2 PRO 117 far 0 86 0 - 6.0-6.6 HG3 ARG 135 - HD2 PRO 81 far 0 89 0 - 7.0-10.4 HG3 GLN 134 - HD2 PRO 81 far 0 65 0 - 7.8-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 95 0 - 7.9-12.6 HB2 GLN 134 - HD2 PRO 81 far 0 60 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 65 0 - 9.3-11.5 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 4 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 - 7.4-11.0 HA LEU 103 - HD2 PRO 117 far 0 73 0 - 7.9-10.2 HA LEU 119 - HD2 PRO 117 far 0 92 0 - 8.4-9.4 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 3.0-3.9 3.0=100 HG3 ARG 135 - HD3 PRO 81 far 0 68 0 - 6.7-11.1 HB2 GLN 134 - HD3 PRO 81 far 0 93 0 - 8.7-13.1 HG2 ARG 90 - HD3 PRO 81 far 0 90 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2487 from aliabs.peaks (2.05, 4.04, 50.95 ppm; 4.24 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 81 + HD3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 81 + HD3 PRO 81 OK 70 70 100 100 3.0-3.9 3.0=100 HB3 LYS 39 - HD3 PRO 81 poor 18 60 30 - 4.3-8.8 HG3 ARG 135 - HD3 PRO 81 far 0 89 0 - 6.7-11.1 HG3 GLN 134 - HD3 PRO 81 far 0 65 0 - 7.7-13.2 HB2 GLN 134 - HD3 PRO 81 far 0 60 0 - 8.7-13.1 HG2 ARG 90 - HD3 PRO 81 far 0 65 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2488 from aliabs.peaks (3.85, 4.04, 50.95 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 40 - HD3 PRO 81 far 0 78 0 - 9.1-14.2 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 12 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 - 5.1-5.8 HB3 GLU 55 - HG3 PRO 56 far 0 96 0 - 5.6-6.6 HB3 LYS 39 - HG2 PRO 81 far 0 60 0 - 5.7-9.9 HG3 ARG 135 - HG2 PRO 81 far 0 89 0 - 6.3-11.2 HG3 PRO 113 - HG3 PRO 56 far 0 96 0 - 6.3-10.3 HG3 PRO 113 - HG2 PRO 56 far 0 97 0 - 7.1-11.6 HG3 GLN 134 - HG2 PRO 81 far 0 65 0 - 7.3-13.8 HB2 GLN 134 - HG2 PRO 81 far 0 60 0 - 7.5-13.2 HG3 PRO 58 - HG2 PRO 56 far 0 91 0 - 8.9-9.5 HG2 PRO 58 - HG2 PRO 56 far 0 73 0 - 9.4-9.7 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 1 assignment used, quality = 1.00: * HD2 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 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 - 6.6-11.4 Violated in 0 structures by 0.00 A. Peak 2494 from aliabs.peaks (2.01, 2.05, 27.30 ppm; 2.50 A): 4 out of 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 HB3 PRO 56 - HG3 PRO 113 far 0 82 0 - 5.0-9.9 HB2 GLN 134 - HG3 ARG 135 far 0 60 0 - 5.5-8.0 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 6.2-10.3 HG2 PRO 81 - HG3 ARG 135 far 0 70 0 - 6.3-11.2 HG3 PRO 56 - HG3 PRO 113 far 0 83 0 - 6.3-10.3 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 6.8-13.0 HG2 PRO 56 - HG3 PRO 113 far 0 84 0 - 7.1-11.6 HB2 PRO 81 - HG3 ARG 135 far 0 21 0 - 8.9-13.0 HB ILE 129 - HG3 ARG 135 far 0 69 0 - 9.0-12.0 HB2 GLU 55 - HG3 PRO 113 far 0 71 0 - 9.3-13.7 HB2 GLU 91 - HG3 ARG 135 far 0 62 0 - 9.7-12.7 HB3 GLU 40 - HG3 PRO 81 far 0 92 0 - 9.8-17.7 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 2.3-3.0 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 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 - 7.0-10.4 HD2 PRO 117 - HG3 PRO 113 far 0 83 0 - 7.9-12.6 HA GLU 40 - HG3 PRO 81 far 0 78 0 - 8.8-16.0 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 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 52 52 100 100 2.7-4.2 4.2=74, 4308/1.8=66...(14) HD3 PRO 81 - HG3 ARG 135 far 0 70 0 - 6.7-11.1 HA ARG 135 - HG3 PRO 81 far 0 85 0 - 6.8-10.7 HA LEU 103 - HG2 PRO 117 far 0 78 0 - 6.9-9.2 HA LEU 119 - HG2 PRO 117 far 0 96 0 - 7.9-8.8 HA LEU 103 - HG3 PRO 117 far 0 78 0 - 8.3-10.7 HA GLU 102 - HG2 PRO 117 far 0 95 0 - 8.5-10.8 HA LEU 119 - HG3 PRO 117 far 0 96 0 - 9.2-10.0 HA LEU 122 - HG2 PRO 117 far 0 100 0 - 9.7-11.1 HA GLU 102 - HG3 PRO 117 far 0 95 0 - 10.0-12.4 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): 3 out of 3 assignments used, quality = 1.00: * HE22 GLN 82 + HG2 GLN 82 OK 100 100 100 100 3.3-4.0 3.5=100 HE22 GLN 82 + HG3 GLN 82 OK 99 99 100 100 2.1-4.1 3.5=100 H VAL 105 + HG2 GLN 101 OK 37 80 55 83 4.3-8.0 3.9/11503=72...(3) Violated in 0 structures by 0.00 A. Peak 2502 from aliabs.peaks (2.43, 2.44, 33.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 82 + HG3 GLN 82 OK 100 100 - 100 HG2 GLN 82 + HG2 GLN 82 OK 99 99 - 100 HG2 GLN 101 + HG2 GLN 101 OK 94 94 - 100 HG2 GLU 55 + HG2 GLU 55 OK 45 45 - 100 Reference assignment not found: HG2 GLN 82 - HG3 GLN 82 Peak 2503 from aliabs.peaks (2.44, 2.44, 33.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 82 + HG3 GLN 82 OK 100 100 - 100 HG2 GLN 82 + HG2 GLN 82 OK 99 99 - 100 HG2 GLN 101 + HG2 GLN 101 OK 92 92 - 100 HG2 GLU 55 + HG2 GLU 55 OK 50 50 - 100 Peak 2506 from aliabs.peaks (3.74, 3.74, 66.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HA THR 83 OK 100 100 - 100 Peak 2507 from aliabs.peaks (4.15, 3.74, 66.49 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 80 - HA THR 83 far 0 65 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 2508 from aliabs.peaks (1.23, 3.74, 66.49 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HA THR 83 OK 100 100 100 100 2.1-2.4 3.2=100 HG12 ILE 80 - HA THR 83 far 0 81 0 - 6.2-7.6 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 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA THR 83 OK 100 100 100 100 2.2-4.5 2624=100, 1.8/2636=91...(18) HB2 ARG 84 - HA THR 83 far 14 92 15 - 5.6-6.6 HB3 ARG 135 - HA THR 83 far 0 73 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2512 from aliabs.peaks (1.96, 3.74, 66.49 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA THR 83 OK 100 100 100 100 2.0-3.6 2636=100, 1.8/2624=93...(17) HB3 PRO 81 - HA THR 83 far 0 100 0 - 7.0-7.8 HB3 ARG 90 - HA THR 83 far 0 99 0 - 8.9-11.1 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 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2517 from aliabs.peaks (3.74, 1.23, 22.04 ppm; 2.97 A): 1 out of 2 assignments used, quality = 0.98: * HA THR 83 + QG2 THR 83 OK 98 100 100 98 2.1-2.4 3.2=80, 2.8/9775=35...(13) HA VAL 133 - QG2 THR 83 far 0 65 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 2518 from aliabs.peaks (4.15, 1.23, 22.04 ppm; 2.57 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 HA ILE 80 - QG2 THR 83 far 0 65 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 2519 from aliabs.peaks (1.23, 1.23, 22.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 83 + QG2 THR 83 OK 100 100 - 100 Peak 2520 from aliabs.peaks (8.99, 1.23, 22.04 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + QG2 THR 83 OK 100 100 100 100 3.5-3.9 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 2.3-3.0 3.0=100 HB2 LYS 86 - HA ARG 84 far 0 92 0 - 5.2-6.7 HB3 ARG 135 - HA ARG 84 far 0 98 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 2524 from aliabs.peaks (1.90, 4.25, 58.88 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 135 - HA ARG 84 far 0 92 0 - 7.8-10.0 HB2 ARG 90 - HA ARG 84 far 0 98 0 - 9.2-11.5 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 2.3-4.0 3.9=100 HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 QB ALA 88 - HA ARG 84 far 0 68 0 - 5.0-6.3 HD3 LYS 86 - HA ARG 84 far 0 90 0 - 6.5-8.7 HD2 LYS 86 - HA ARG 84 far 0 85 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2526 from aliabs.peaks (1.64, 4.25, 58.88 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-4.0 3.9=100 QB ALA 88 - HA ARG 84 far 0 76 0 - 5.0-6.3 HD3 LYS 86 - HA ARG 84 far 0 95 0 - 6.5-8.7 HD2 LYS 86 - HA ARG 84 far 0 90 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2527 from aliabs.peaks (3.19, 4.25, 58.88 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.4 5.0=74, 2.9/11859=54...(31) * HD2 ARG 84 + HA ARG 84 OK 95 100 95 100 2.1-5.4 5.0=74, 2.9/11859=54...(31) HD2 ARG 90 - HA ARG 84 far 0 76 0 - 8.6-12.1 HD3 ARG 90 - HA ARG 84 far 0 68 0 - 8.9-12.6 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 4 assignments used, quality = 1.00: * HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.4 5.0=74, 2.9/11859=54...(31) HD2 ARG 84 + HA ARG 84 OK 95 100 95 100 2.1-5.4 5.0=74, 2.9/11859=54...(31) HD2 ARG 90 - HA ARG 84 far 0 76 0 - 8.6-12.1 HD3 ARG 90 - HA ARG 84 far 0 68 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 2529 from aliabs.peaks (7.28, 4.25, 58.88 ppm; 4.89 A): 2 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 OK 37 98 45 84 4.6-7.3 6.3/2530=37, 4.4/2532=31...(8) Violated in 0 structures by 0.00 A. Peak 2531 from aliabs.peaks (3.23, 4.25, 58.88 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + HA ARG 84 OK 98 100 100 98 3.4-4.1 4.0/2530=57...(16) HB3 PHE 87 + HA ARG 84 OK 86 99 95 91 4.3-5.6 4.0/2530=57, 1.8/2725=37...(11) HD3 ARG 135 - HA ARG 84 far 0 99 0 - 6.7-12.3 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 = 0.99: HB2 PHE 87 + HA ARG 84 OK 96 99 100 97 3.4-4.1 4.0/2530=55...(15) * HB3 PHE 87 + HA ARG 84 OK 77 100 85 91 4.3-5.6 4.0/2530=55, 1.8/2725=37...(11) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 6.7-12.3 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 2.3-3.0 3.0=100 HA PHE 87 - HB2 ARG 84 far 0 73 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 2535 from aliabs.peaks (1.81, 1.81, 29.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 Peak 2536 from aliabs.peaks (1.90, 1.81, 29.11 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 135 - HB2 ARG 84 far 0 92 0 - 5.9-9.7 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 2.2-3.0 3.0=100 HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 68 0 - 4.9-6.9 HD3 LYS 86 - HB2 ARG 84 far 0 90 0 - 8.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 85 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 2538 from aliabs.peaks (1.64, 1.81, 29.11 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 76 0 - 4.9-6.9 HD3 LYS 86 - HB2 ARG 84 far 0 95 0 - 8.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 90 0 - 8.6-11.0 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: HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-4.0 4.0=90, 1.8/2580=40...(25) * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-4.2 4.0=90, 1.8/2580=40...(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: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-4.0 4.0=90, 1.8/2580=40...(25) HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-4.2 4.0=90, 1.8/2580=40...(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 2.3-3.0 3.0=100 HA PHE 87 - HB3 ARG 84 far 0 73 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 2544 from aliabs.peaks (1.81, 1.90, 29.11 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 135 - HB3 ARG 84 far 0 98 0 - 5.9-9.3 HB2 LYS 86 - HB3 ARG 84 far 0 92 0 - 6.6-8.6 Violated in 0 structures by 0.00 A. Peak 2545 from aliabs.peaks (1.90, 1.90, 29.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 Peak 2546 from aliabs.peaks (1.64, 1.90, 29.11 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 68 0 - 5.0-7.4 HD3 LYS 86 - HB3 ARG 84 far 0 90 0 - 7.9-10.5 HD2 LYS 86 - HB3 ARG 84 far 0 85 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 2547 from aliabs.peaks (1.64, 1.90, 29.11 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 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 76 0 - 5.0-7.4 HD3 LYS 86 - HB3 ARG 84 far 0 95 0 - 7.9-10.5 HD2 LYS 86 - HB3 ARG 84 far 0 90 0 - 8.7-10.6 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 2 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.0-4.0 4.0=87, 2571/1.8=39...(25) HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=87, 2571/1.8=39...(25) 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 2 assignments used, quality = 1.00: HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.0-4.0 4.0=87, 2571/1.8=39...(25) * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=87, 2571/1.8=39...(25) 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 2.3-4.0 3.9=96, 11859/3.6=34...(34) HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=96, 11859/3.6=34...(32) HA LEU 22 + HG LEU 22 OK 55 55 100 100 2.2-4.3 401/2.1=74, 4.3=72...(21) HA GLN 27 - HG LEU 22 far 4 73 5 - 3.8-15.8 HA ALA 28 - HG3 ARG 23 far 3 59 5 - 3.8-15.9 HA LEU 22 - HG3 ARG 23 far 2 44 5 - 4.4-6.9 HA LYS 19 - HG3 ARG 23 far 2 35 5 - 4.6-13.3 HA LYS 19 - HG LEU 22 far 0 44 0 - 4.7-11.0 HA ALA 28 - HG LEU 22 far 0 73 0 - 5.7-18.8 HA LYS 31 - HG LEU 22 far 0 46 0 - 5.7-24.5 HA LYS 26 - HG3 ARG 23 far 0 39 0 - 5.9-10.2 HA GLN 27 - HG3 ARG 23 far 0 59 0 - 6.0-13.0 HA ALA 29 - HG3 ARG 23 far 0 44 0 - 6.3-19.0 HA LYS 31 - HG3 ARG 23 far 0 36 0 - 6.3-22.1 HB THR 115 - HG LEU 119 far 0 36 0 - 6.6-9.6 HA LYS 26 - HG LEU 22 far 0 50 0 - 6.7-12.9 HA PHE 87 - HG3 ARG 84 far 0 72 0 - 6.8-9.9 HA PHE 87 - HG2 ARG 84 far 0 73 0 - 7.8-9.4 HA ALA 29 - HG LEU 22 far 0 55 0 - 7.9-20.2 HA SER 99 - HG LEU 119 far 0 43 0 - 8.0-11.6 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 22 assignments used, quality = 1.00: * HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 55 55 100 100 2.2-3.0 3.0=100 HB3 LYS 19 - HG3 ARG 23 far 3 59 5 - 3.6-12.6 HB3 LEU 103 - HG LEU 119 far 3 52 5 - 3.9-10.0 HB3 ARG 135 - HG3 ARG 84 far 0 97 0 - 4.8-9.2 HB3 LYS 24 - HG3 ARG 23 far 0 58 0 - 4.8-9.0 HB3 LYS 24 - HG LEU 22 far 0 71 0 - 4.9-8.8 HB3 LYS 31 - HG3 ARG 23 far 0 59 0 - 5.2-19.8 HB3 LYS 26 - HG3 ARG 23 far 0 57 0 - 5.4-12.7 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 5.5-10.1 HB3 LYS 31 - HG LEU 22 far 0 72 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 48 0 - 5.7-9.1 HB2 LYS 86 - HG2 ARG 84 far 0 92 0 - 6.1-9.8 HB3 ARG 23 - HG LEU 22 far 0 69 0 - 6.4-8.9 HB3 LYS 19 - HG LEU 22 far 0 73 0 - 6.9-11.6 HB2 LYS 86 - HG3 ARG 84 far 0 91 0 - 7.4-10.0 HB3 LYS 26 - HG LEU 22 far 0 71 0 - 7.8-15.3 HB ILE 32 - HG3 ARG 23 far 0 59 0 - 8.1-23.7 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 73 0 - 8.5-24.0 HB2 CYS 79 - HG LEU 43 far 0 63 0 - 9.2-11.5 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 10 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 40 - HG LEU 43 far 0 85 0 - 5.0-6.7 HB2 ARG 135 - HG3 ARG 84 far 0 91 0 - 5.2-9.0 HB2 PRO 113 - HG LEU 119 far 0 62 0 - 5.6-10.2 HB2 ARG 135 - HG2 ARG 84 far 0 92 0 - 5.9-10.2 HB3 LEU 123 - HG LEU 119 far 0 40 0 - 6.5-8.9 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 7.9-11.4 HB3 LEU 49 - HG LEU 119 far 0 58 0 - 8.0-12.9 HB2 ARG 135 - HG LEU 43 far 0 74 0 - 9.0-11.9 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 6 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 32 32 100 100 2.2-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 0 40 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2558 from aliabs.peaks (3.19, 1.64, 26.79 ppm; 3.43 A): 5 out of 6 assignments used, quality = 1.00: * HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 32 32 100 100 2.2-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 0 40 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2561 from aliabs.peaks (4.25, 1.64, 26.79 ppm; 3.81 A): 3 out of 13 assignments used, quality = 1.00: * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=95, 11859/3.6=34...(32) HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-4.0 3.9=95, 11859/3.6=34...(34) HA LEU 22 + HG LEU 22 OK 45 45 100 100 2.2-4.3 401/2.1=74, 4.3=71...(21) HA GLN 27 - HG LEU 22 far 3 61 5 - 3.8-15.8 HA LYS 19 - HG LEU 22 far 0 36 0 - 4.7-11.0 HA ALA 28 - HG LEU 22 far 0 61 0 - 5.7-18.8 HA LYS 31 - HG LEU 22 far 0 37 0 - 5.7-24.5 HB THR 115 - HG LEU 119 far 0 30 0 - 6.6-9.6 HA LYS 26 - HG LEU 22 far 0 41 0 - 6.7-12.9 HA PHE 87 - HG3 ARG 84 far 0 73 0 - 6.8-9.9 HA PHE 87 - HG2 ARG 84 far 0 72 0 - 7.8-9.4 HA ALA 29 - HG LEU 22 far 0 45 0 - 7.9-20.2 HA SER 99 - HG LEU 119 far 0 35 0 - 8.0-11.6 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 16 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HG LEU 119 far 0 43 0 - 3.9-10.0 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 4.8-9.2 HB3 LYS 24 - HG LEU 22 far 0 60 0 - 4.9-8.8 HB3 ARG 135 - HG2 ARG 84 far 0 97 0 - 5.5-10.1 HB3 LYS 31 - HG LEU 22 far 0 60 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 39 0 - 5.7-9.1 HB2 LYS 86 - HG2 ARG 84 far 0 91 0 - 6.1-9.8 HB3 ARG 23 - HG LEU 22 far 0 57 0 - 6.4-8.9 HB3 LYS 19 - HG LEU 22 far 0 61 0 - 6.9-11.6 HB2 LYS 86 - HG3 ARG 84 far 0 92 0 - 7.4-10.0 HB3 LYS 26 - HG LEU 22 far 0 59 0 - 7.8-15.3 HB2 LEU 100 - HG LEU 119 far 0 47 0 - 8.5-12.5 HB ILE 32 - HG LEU 22 far 0 61 0 - 8.5-24.0 HB2 CYS 79 - HG LEU 43 far 0 66 0 - 9.2-11.5 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 10 assignments used, quality = 1.00: * HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 40 - HG LEU 43 far 0 88 0 - 5.0-6.7 HB2 ARG 135 - HG3 ARG 84 far 0 92 0 - 5.2-9.0 HB2 PRO 113 - HG LEU 119 far 0 52 0 - 5.6-10.2 HB2 ARG 135 - HG2 ARG 84 far 0 91 0 - 5.9-10.2 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 6.5-8.9 HG2 PRO 113 - HG LEU 119 far 0 27 0 - 7.9-11.4 HB3 LEU 49 - HG LEU 119 far 0 48 0 - 8.0-12.9 HB2 ARG 135 - HG LEU 43 far 0 78 0 - 9.0-11.9 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 5 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 2.4-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 0 33 0 - 7.7-10.6 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 5 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 2.4-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 0 33 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2570 from aliabs.peaks (4.25, 3.19, 42.91 ppm; 4.07 A): 2 out of 4 assignments used, quality = 0.99: HA ARG 84 + HD3 ARG 84 OK 95 100 95 100 2.0-5.4 5.0=55, 11859/2.9=44...(31) * HA ARG 84 + HD2 ARG 84 OK 90 100 90 100 2.1-5.4 5.0=55, 11859/2.9=44...(31) HA PHE 87 - HD3 ARG 84 far 0 73 0 - 6.3-11.0 HA PHE 87 - HD2 ARG 84 far 0 73 0 - 6.7-11.5 Violated in 2 structures by 0.02 A. Peak 2571 from aliabs.peaks (1.81, 3.19, 42.91 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-4.0 4.0=78, 1.8/2572=36...(25) * HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.3-4.2 4.0=78, 1.8/2572=36...(25) HB3 ARG 135 - HD2 ARG 84 far 0 98 0 - 5.0-10.3 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 6.6-10.1 HB2 LYS 86 - HD2 ARG 84 far 0 92 0 - 7.9-10.6 HB2 LYS 86 - HD3 ARG 84 far 0 92 0 - 8.0-10.9 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 2.0-4.0 4.0=80, 1.8/2571=37...(25) HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=80, 1.8/2571=37...(25) HB2 ARG 135 - HD2 ARG 84 far 0 92 0 - 5.8-10.9 HB2 ARG 135 - HD3 ARG 84 far 0 92 0 - 6.7-10.3 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.8-15.6 HB2 ARG 90 - HD3 ARG 84 far 0 98 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2573 from aliabs.peaks (1.64, 3.19, 42.91 ppm; 3.20 A): 4 out of 10 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 3 68 5 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 0 68 0 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 90 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 90 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 85 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 85 0 - 9.9-12.5 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 2.4-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 4 76 5 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 0 76 0 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 95 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 95 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 90 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 90 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2575 from aliabs.peaks (3.19, 3.19, 42.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 * HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2576 from aliabs.peaks (3.19, 3.19, 42.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD3 ARG 84 - HD2 ARG 84 Peak 2579 from aliabs.peaks (4.25, 3.19, 42.91 ppm; 4.07 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 84 + HD3 ARG 84 OK 95 100 95 100 2.0-5.4 5.0=55, 11859/2.9=44...(31) HA ARG 84 + HD2 ARG 84 OK 90 100 90 100 2.1-5.4 5.0=55, 11859/2.9=44...(31) HA PHE 87 - HD3 ARG 84 far 0 73 0 - 6.3-11.0 HA PHE 87 - HD2 ARG 84 far 0 73 0 - 6.7-11.5 Violated in 2 structures by 0.02 A. Peak 2580 from aliabs.peaks (1.81, 3.19, 42.91 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-4.0 4.0=78, 1.8/2572=36...(25) HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.3-4.2 4.0=78, 1.8/2572=36...(25) HB3 ARG 135 - HD2 ARG 84 far 0 98 0 - 5.0-10.3 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 6.6-10.1 HB2 LYS 86 - HD2 ARG 84 far 0 92 0 - 7.9-10.6 HB2 LYS 86 - HD3 ARG 84 far 0 92 0 - 8.0-10.9 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 2.0-4.0 4.0=80, 1.8/2571=37...(25) * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=80, 1.8/2571=37...(25) HB2 ARG 135 - HD2 ARG 84 far 0 92 0 - 5.8-10.9 HB2 ARG 135 - HD3 ARG 84 far 0 92 0 - 6.7-10.3 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.8-15.6 HB2 ARG 90 - HD3 ARG 84 far 0 98 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2582 from aliabs.peaks (1.64, 3.19, 42.91 ppm; 3.20 A): 4 out of 10 assignments used, quality = 1.00: * HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 3 68 5 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 0 68 0 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 90 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 90 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 85 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 85 0 - 9.9-12.5 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 2.4-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 4 76 5 - 4.0-8.1 QB ALA 88 - HD3 ARG 84 far 0 76 0 - 4.2-8.6 HD3 LYS 86 - HD3 ARG 84 far 0 95 0 - 8.6-12.4 HD3 LYS 86 - HD2 ARG 84 far 0 95 0 - 8.6-13.0 HD2 LYS 86 - HD2 ARG 84 far 0 90 0 - 9.9-12.6 HD2 LYS 86 - HD3 ARG 84 far 0 90 0 - 9.9-12.5 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 1 assignment used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2595 from aliabs.peaks (1.66, 4.81, 54.84 ppm; 4.64 A): 3 out of 5 assignments used, quality = 1.00: * QB ALA 88 + HA ASN 85 OK 100 100 100 100 2.4-3.5 2750=100, 7185/7174=78...(15) HG3 ARG 84 + HA ASN 85 OK 40 76 60 87 3.1-6.6 3.0/11320=31, ~2541=16...(20) HG2 ARG 84 + HA ASN 85 OK 36 68 60 89 4.1-6.5 3.0/11320=31, ~2541=16...(23) HD3 LYS 86 - HA ASN 85 far 0 97 0 - 7.7-9.0 HD2 LYS 86 - HA ASN 85 far 0 99 0 - 7.7-8.8 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 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2604 from aliabs.peaks (4.81, 2.82, 37.45 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2605 from aliabs.peaks (2.69, 2.82, 37.45 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB3 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2606 from aliabs.peaks (2.82, 2.82, 37.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + HB3 ASN 85 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 60 60 - 100 HB3 ASN 120 + HB3 ASN 120 OK 50 50 - 100 Peak 2611 from aliabs.peaks (3.89, 3.89, 60.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2612 from aliabs.peaks (1.79, 3.89, 60.61 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.5-2.8 3.0=100 HB2 ARG 84 - HA LYS 86 far 0 92 0 - 7.4-8.5 HB3 ARG 135 - HA LYS 86 far 0 73 0 - 8.7-10.8 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 2.9-3.0 3.0=100 HB3 ARG 90 - HA LYS 86 far 0 99 0 - 5.0-7.1 HB3 PRO 81 - HA LYS 86 far 0 100 0 - 8.7-10.0 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 2 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.1-2.4 3.7=100 QB ALA 92 - HA LYS 86 far 0 90 0 - 7.4-8.1 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 2.9-3.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 2616 from aliabs.peaks (1.66, 3.89, 60.61 ppm; 4.94 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 3.0/2704=86, 5.5=73...(30) HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 3.0/2704=86, 5.5=73...(32) QB ALA 88 + HA LYS 86 OK 99 99 100 100 5.2-5.6 2750/4.9=64...(15) HG2 ARG 84 - HA LYS 86 far 0 85 0 - 7.0-9.2 HG3 ARG 84 - HA LYS 86 far 0 90 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 2617 from aliabs.peaks (1.65, 3.89, 60.61 ppm; 4.94 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 3.0/2704=86, 5.5=73...(32) HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.7 3.0/2704=86, 5.5=73...(30) QB ALA 88 + HA LYS 86 OK 97 97 100 100 5.2-5.6 2750/4.9=62...(15) HG2 ARG 84 - HA LYS 86 far 0 90 0 - 7.0-9.2 HG3 ARG 84 - HA LYS 86 far 0 95 0 - 7.3-9.7 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 2.1-3.2 2765=86, 2.7/11327=62...(16) HB3 PHE 89 + HA LYS 86 OK 80 81 100 100 2.2-3.4 1.8/2765=74...(13) HB3 CYS 73 - HA LYS 86 far 0 99 0 - 7.3-10.2 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 2.2-3.4 1.8/2765=72...(13) HB2 PHE 89 + HA LYS 86 OK 80 81 100 100 2.1-3.2 2.7/11327=60...(16) HB3 CYS 73 - HA LYS 86 far 0 60 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 2624 from aliabs.peaks (3.74, 1.79, 32.49 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 83 + HB2 LYS 86 OK 100 100 100 100 2.2-4.5 2636/1.8=79, 2511=71...(18) HA VAL 133 - HB2 LYS 86 far 0 65 0 - 7.5-9.9 Violated in 10 structures by 0.07 A. Peak 2626 from aliabs.peaks (3.89, 1.79, 32.49 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.8 3.0=100 HA3 GLY 75 - HB3 LYS 19 far 4 80 5 - 4.2-27.6 HB2 SER 33 - HB3 LYS 19 far 0 61 0 - 6.4-21.1 HB2 SER 33 - HB3 LYS 31 far 0 43 0 - 6.5-9.3 HB2 SER 94 - HB2 LYS 86 far 0 96 0 - 9.8-13.1 HA3 GLY 75 - HB2 LYS 86 far 0 99 0 - 9.8-12.3 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 8 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 27 - HB3 LYS 31 far 3 57 5 - 3.4-10.9 HB2 GLU 30 - HB3 LYS 31 far 0 46 0 - 4.1-5.9 HB3 ARG 90 - HB2 LYS 86 far 0 99 0 - 4.7-8.8 HB2 GLU 30 - HB3 LYS 19 far 0 65 0 - 4.7-17.9 HB2 GLN 27 - HB3 LYS 19 far 0 78 0 - 5.4-17.8 HB ILE 37 - HB3 LYS 19 far 0 74 0 - 7.7-26.9 HB3 PRO 81 - HB2 LYS 86 far 0 100 0 - 7.9-10.9 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 16 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 53 53 100 100 2.2-2.5 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 31 31 100 100 2.2-3.0 3.0=100 QB ALA 34 - HB3 LYS 19 far 4 82 5 - 2.0-20.6 QB ALA 28 - HB3 LYS 19 far 2 42 5 - 2.9-15.3 QB ALA 16 - HB3 LYS 31 far 2 40 5 - 3.9-19.7 QB ALA 28 - HB3 LYS 31 far 0 29 0 - 4.6-8.2 HG13 ILE 32 - HB3 LYS 31 far 0 50 0 - 5.0-7.3 QB ALA 16 - HB3 LYS 19 far 0 57 0 - 5.0-9.7 HG2 LYS 26 - HB3 LYS 31 far 0 48 0 - 5.2-13.4 HG13 ILE 32 - HB3 LYS 19 far 0 70 0 - 5.4-19.7 HG3 LYS 31 - HB3 LYS 19 far 0 44 0 - 6.4-17.5 HG2 LYS 26 - HB3 LYS 19 far 0 66 0 - 7.8-18.8 HG3 LYS 19 - HB3 LYS 31 far 0 37 0 - 7.8-18.0 QB ALA 34 - HB3 LYS 31 far 0 60 0 - 8.8-11.6 QB ALA 92 - HB2 LYS 86 far 0 90 0 - 8.9-9.9 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 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 45 45 100 100 2.2-3.0 3.0=100 HG2 LYS 31 - HB3 LYS 19 far 3 63 5 - 5.8-17.9 HG3 LYS 24 - HB3 LYS 31 far 0 31 0 - 6.4-20.1 HG3 LYS 24 - HB3 LYS 19 far 0 44 0 - 6.7-14.1 HG3 LYS 36 - HB3 LYS 31 far 0 48 0 - 8.7-13.8 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 24 assignments used, quality = 1.00: * HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 80 80 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 78 78 100 100 2.4-4.2 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.0-4.2 3.5=100 HD3 LYS 31 - HB3 LYS 19 far 4 81 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 3 60 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 3 59 5 - 3.8-14.8 HD2 LYS 19 - HB3 LYS 31 far 0 59 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 82 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 85 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 57 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 99 0 - 6.4-7.0 HD2 LYS 24 - HB3 LYS 31 far 0 59 0 - 6.8-20.9 HD2 LYS 26 - HB3 LYS 19 far 0 81 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 80 0 - 7.1-19.3 HG3 ARG 84 - HB2 LYS 86 far 0 90 0 - 7.4-10.0 HD3 LYS 24 - HB3 LYS 31 far 0 60 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 80 0 - 8.1-15.6 HD3 LYS 24 - HB3 LYS 19 far 0 81 0 - 8.3-15.2 HD2 LYS 36 - HB3 LYS 19 far 0 80 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 80 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 59 0 - 8.7-12.8 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 24 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 81 81 100 100 2.9-3.9 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 80 80 100 100 2.4-4.2 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.1-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 59 59 100 100 2.0-4.2 3.5=100 HD3 LYS 31 - HB3 LYS 19 far 4 80 5 - 4.3-19.1 HD2 LYS 26 - HB3 LYS 31 far 3 59 5 - 3.5-15.2 HD3 LYS 26 - HB3 LYS 31 far 3 57 5 - 3.8-14.8 HD2 LYS 19 - HB3 LYS 31 far 0 60 0 - 5.8-18.1 HD2 LYS 31 - HB3 LYS 19 far 0 81 0 - 6.0-19.2 HG2 ARG 84 - HB2 LYS 86 far 0 90 0 - 6.1-9.8 HD3 LYS 19 - HB3 LYS 31 far 0 59 0 - 6.3-19.4 QB ALA 88 - HB2 LYS 86 far 0 97 0 - 6.4-7.0 HD2 LYS 24 - HB3 LYS 31 far 0 57 0 - 6.8-20.9 HD2 LYS 26 - HB3 LYS 19 far 0 80 0 - 7.1-20.2 HD3 LYS 26 - HB3 LYS 19 far 0 77 0 - 7.1-19.3 HG3 ARG 84 - HB2 LYS 86 far 0 95 0 - 7.4-10.0 HD3 LYS 24 - HB3 LYS 31 far 0 60 0 - 8.0-20.4 HD2 LYS 24 - HB3 LYS 19 far 0 78 0 - 8.1-15.6 HD3 LYS 24 - HB3 LYS 19 far 0 82 0 - 8.3-15.2 HD2 LYS 36 - HB3 LYS 19 far 0 77 0 - 8.4-23.3 HD3 LYS 36 - HB3 LYS 19 far 0 78 0 - 8.7-24.5 HD2 LYS 36 - HB3 LYS 31 far 0 57 0 - 8.7-12.8 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 1 assignment used, quality = 1.00: * HE2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-3.5 4.9=100 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 20 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-4.5 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 81 82 100 100 2.3-5.4 5.1=98, 7.3/6150=19...(57) HE3 LYS 19 + HB3 LYS 19 OK 81 82 100 100 2.4-4.7 5.1=98, 7.3/6150=19...(57) HE3 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.2-5.5 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.4-5.3 4.8=100 HE3 LYS 31 - HB3 LYS 19 far 4 81 5 - 4.9-20.5 HE3 LYS 19 - HB3 LYS 31 far 3 60 5 - 4.4-20.0 HE2 LYS 19 - HB3 LYS 31 far 3 60 5 - 5.4-20.0 HE3 LYS 26 - HB3 LYS 31 far 3 58 5 - 4.8-15.1 HE3 LYS 24 - HB3 LYS 19 far 0 78 0 - 5.9-15.4 HE2 LYS 26 - HB3 LYS 31 far 0 60 0 - 6.0-15.4 HE2 LYS 31 - HB3 LYS 19 far 0 81 0 - 6.1-19.6 HE2 LYS 24 - HB3 LYS 19 far 0 81 0 - 6.3-15.6 HE2 LYS 26 - HB3 LYS 19 far 0 81 0 - 6.7-19.5 HE3 LYS 24 - HB3 LYS 31 far 0 57 0 - 7.5-21.6 HE2 LYS 24 - HB3 LYS 31 far 0 60 0 - 8.0-21.6 HE3 LYS 26 - HB3 LYS 19 far 0 79 0 - 8.5-17.9 HE2 LYS 36 - HB3 LYS 31 far 0 59 0 - 9.1-14.5 HD2 ARG 135 - HB2 LYS 86 far 0 60 0 - 9.5-13.5 HE3 LYS 36 - HB3 LYS 19 far 0 80 0 - 9.6-24.7 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 2.0-3.6 2624/1.8=75, 2512=64...(16) HB2 SER 99 - HB3 LYS 95 far 0 25 0 - 5.3-8.2 HA VAL 133 - HB3 PRO 81 far 0 61 0 - 5.5-10.6 HA THR 83 - HB3 PRO 81 far 0 98 0 - 7.0-7.8 HA GLU 97 - HB3 LYS 95 far 0 24 0 - 7.5-8.1 HA VAL 133 - HB3 LYS 86 far 0 65 0 - 8.3-9.8 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 6 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 SER 60 + HB2 PRO 58 OK 29 46 100 64 2.7-4.8 4.6/10981=34...(5) HB2 SER 60 + HB2 PRO 58 OK 29 46 100 64 2.7-4.8 4.6/10981=34...(5) HB2 SER 94 - HB3 LYS 95 far 0 32 0 - 7.0-7.4 HA LYS 86 - HB3 PRO 81 far 0 98 0 - 8.7-10.0 HA2 GLY 114 - HB2 PRO 58 far 0 64 0 - 9.0-17.1 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 - 4.8-6.2 HB3 ARG 135 - HB3 PRO 81 far 0 69 0 - 6.0-11.4 HB3 LYS 24 - HB2 PRO 58 far 0 47 0 - 6.0-43.9 HB2 ARG 84 - HB3 LYS 86 far 0 92 0 - 6.4-7.3 HB3 LEU 122 - HB3 LYS 95 far 0 36 0 - 6.6-10.0 HB2 ARG 84 - HB3 PRO 81 far 0 87 0 - 7.9-10.2 HB2 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.9-10.9 HG LEU 100 - HB3 LYS 95 far 0 24 0 - 8.3-11.2 HB3 LEU 103 - HB2 PRO 58 far 0 65 0 - 8.9-12.5 HB3 ARG 135 - HB3 LYS 86 far 0 73 0 - 10.0-11.9 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 7 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.8-3.0 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 poor 14 29 50 - 4.9-5.6 QB ALA 109 - HB2 PRO 58 far 0 37 0 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 29 0 - 6.4-7.2 HG2 LYS 86 - HB3 PRO 81 far 0 98 0 - 8.1-9.2 QB ALA 92 - HB3 LYS 86 far 0 90 0 - 9.4-10.1 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 4 assignments used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 24 - HB2 PRO 58 far 0 34 0 - 6.0-45.3 HG3 LYS 86 - HB3 PRO 81 far 0 98 0 - 6.8-10.8 QB ALA 52 - HB2 PRO 58 far 0 64 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 2643 from aliabs.peaks (1.66, 1.96, 32.49 ppm; 4.35 A): 4 out of 20 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HD2 LYS 95 + HB3 LYS 95 OK 36 36 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 36 36 100 100 3.1-4.1 3.7=100 HB2 LEU 98 - HB3 LYS 95 poor 10 33 30 - 4.2-7.2 QB ALA 88 - HB3 LYS 86 far 0 99 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 85 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 59 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 80 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 71 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 90 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 65 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 64 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.2-10.4 HD3 LYS 86 - HB3 PRO 81 far 0 97 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 86 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 35 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 90 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 96 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 35 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2644 from aliabs.peaks (1.65, 1.96, 32.49 ppm; 4.35 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD2 LYS 95 + HB3 LYS 95 OK 36 36 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 35 35 100 100 3.1-4.1 3.7=100 HB2 LEU 98 - HB3 LYS 95 poor 10 35 30 - 4.2-7.2 QB ALA 88 - HB3 LYS 86 far 0 97 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 90 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 62 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 86 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 64 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 95 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 65 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 62 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 97 0 - 7.2-10.4 HD3 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 90 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 33 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 94 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 94 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 36 0 - 9.7-11.5 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 1.9-4.4 2695=100, 1.8/2706=100...(20) HB3 HIS 5 - HB3 LYS 95 far 0 35 0 - 6.2-68.3 HE2 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.0-12.0 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 10 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.9-3.6 2706=100, 1.8/2695=91...(20) HE3 LYS 39 - HB3 PRO 81 far 3 64 5 - 4.6-14.5 HE2 LYS 39 - HB3 PRO 81 far 0 64 0 - 6.0-13.9 HB3 ASN 121 - HB3 LYS 95 far 0 23 0 - 6.0-8.7 HD2 ARG 135 - HB3 PRO 81 far 0 56 0 - 6.2-14.5 HE3 LYS 86 - HB3 PRO 81 far 0 98 0 - 6.3-11.7 HD2 ARG 135 - HB3 LYS 86 far 0 60 0 - 8.8-13.1 HE2 LYS 24 - HB2 PRO 58 far 0 65 0 - 9.2-46.0 HE3 LYS 24 - HB2 PRO 58 far 0 62 0 - 9.2-44.5 HB3 ASN 116 - HB2 PRO 58 far 0 44 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 2649 from aliabs.peaks (3.89, 1.41, 25.19 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.1-2.4 3.7=100 HA3 GLY 75 - HG2 LYS 86 far 0 99 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 2650 from aliabs.peaks (1.79, 1.41, 25.19 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 ARG 84 - HG2 LYS 86 far 0 92 0 - 8.3-9.6 HB3 ARG 135 - HG2 LYS 86 far 0 73 0 - 9.7-12.3 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 2.8-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 86 far 0 99 0 - 6.4-8.1 HB3 PRO 81 - HG2 LYS 86 far 0 100 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 2652 from aliabs.peaks (1.41, 1.41, 25.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2653 from aliabs.peaks (1.48, 1.41, 25.19 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2654 from aliabs.peaks (1.66, 1.41, 25.19 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 99 0 - 7.0-7.5 HG2 ARG 84 - HG2 LYS 86 far 0 85 0 - 8.3-10.3 HG3 ARG 84 - HG2 LYS 86 far 0 90 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2655 from aliabs.peaks (1.65, 1.41, 25.19 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 97 0 - 7.0-7.5 HG2 ARG 84 - HG2 LYS 86 far 0 90 0 - 8.3-10.3 HG3 ARG 84 - HG2 LYS 86 far 0 95 0 - 8.6-10.8 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 2.4-3.6 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 2 assignments used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.1 3.7=100 HD2 ARG 135 - HG2 LYS 86 far 0 60 0 - 9.2-13.6 Violated in 0 structures by 0.00 A. Peak 2660 from aliabs.peaks (3.89, 1.48, 25.19 ppm; 4.86 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.9-3.2 3.7=100 HA ALA 41 - HG3 LYS 36 far 4 26 15 - 4.7-8.8 HB2 SER 33 - HG3 LYS 36 far 2 36 5 - 4.3-7.5 HA3 GLY 75 - HG3 LYS 86 far 0 99 0 - 8.5-11.6 HA3 GLY 75 - HG3 LYS 36 far 0 49 0 - 9.1-13.5 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 2.2-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 32 32 100 100 2.6-2.8 3.0=100 HB ILE 32 - HG3 LYS 36 far 2 39 5 - 5.4-9.2 HB2 ARG 84 - HG3 LYS 86 far 0 92 0 - 7.0-9.5 HB3 LYS 31 - HG3 LYS 36 far 0 38 0 - 8.7-13.8 HB3 ARG 135 - HG3 LYS 86 far 0 73 0 - 9.0-13.1 HB3 LYS 26 - HG3 LYS 36 far 0 34 0 - 9.1-20.8 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 2.2-2.9 3.0=100 HB ILE 37 - HG3 LYS 36 far 2 45 5 - 4.5-7.7 HB3 ARG 90 - HG3 LYS 86 far 0 99 0 - 6.3-9.4 HB3 PRO 81 - HG3 LYS 86 far 0 100 0 - 6.8-10.8 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 7 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 36 far 0 42 0 - 5.6-11.3 QB ALA 34 - HG3 LYS 36 far 0 50 0 - 5.8-7.8 HG2 LYS 26 - HG3 LYS 36 far 0 39 0 - 7.2-21.6 HG3 LYS 31 - HG3 LYS 36 far 0 25 0 - 8.4-13.8 QB ALA 92 - HG3 LYS 86 far 0 90 0 - 9.3-10.6 QB ALA 28 - HG3 LYS 36 far 0 24 0 - 9.7-14.3 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 11 assignments used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.3-2.9 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 2 50 5 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 49 0 - 6.6-22.6 HD2 LYS 31 - HG3 LYS 36 far 0 50 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 99 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 50 0 - 7.2-14.6 HG2 ARG 84 - HG3 LYS 86 far 0 85 0 - 7.3-10.0 HG3 ARG 84 - HG3 LYS 86 far 0 90 0 - 7.3-10.1 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 11 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 48 48 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 47 47 100 100 2.3-2.9 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 2 49 5 - 5.5-23.5 HD3 LYS 26 - HG3 LYS 36 far 0 47 0 - 6.6-22.6 HD2 LYS 31 - HG3 LYS 36 far 0 50 0 - 7.0-14.5 QB ALA 88 - HG3 LYS 86 far 0 97 0 - 7.1-7.7 HD3 LYS 31 - HG3 LYS 36 far 0 49 0 - 7.2-14.6 HG2 ARG 84 - HG3 LYS 86 far 0 90 0 - 7.3-10.0 HG3 ARG 84 - HG3 LYS 86 far 0 95 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 2667 from aliabs.peaks (3.06, 1.48, 25.19 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 3.7-4.0 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 3.5-3.8 3.7=100 HE3 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.1-4.0 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.5-3.9 4.0=100 HE2 LYS 26 - HG3 LYS 36 far 2 50 5 - 6.2-22.9 HE3 LYS 26 - HG3 LYS 36 far 2 48 5 - 5.6-23.2 HB2 CYS 45 - HG3 LYS 36 far 0 36 0 - 7.0-11.9 HE3 LYS 31 - HG3 LYS 36 far 0 50 0 - 7.1-13.5 HE2 LYS 31 - HG3 LYS 36 far 0 50 0 - 7.2-12.8 HD2 ARG 135 - HG3 LYS 86 far 0 60 0 - 8.6-14.3 Violated in 0 structures by 0.00 A. Peak 2671 from aliabs.peaks (3.89, 1.66, 29.78 ppm; 5.44 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=98, 2704/3.0=94...(30) HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=98, 2704/3.0=94...(32) HA3 GLY 75 - HD2 LYS 86 far 0 99 0 - 8.7-11.5 HA3 GLY 75 - HD3 LYS 86 far 0 99 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2672 from aliabs.peaks (1.79, 1.66, 29.78 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 91 0 - 8.1-10.8 HB2 ARG 84 - HD2 LYS 86 far 0 92 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 2673 from aliabs.peaks (1.96, 1.66, 29.78 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-3.8 3.5=100 HB3 PRO 81 - HD2 LYS 86 far 0 100 0 - 7.2-10.4 HB3 ARG 90 - HD3 LYS 86 far 0 99 0 - 7.5-9.6 HB3 ARG 90 - HD2 LYS 86 far 0 99 0 - 7.8-9.7 HB3 PRO 81 - HD3 LYS 86 far 0 99 0 - 7.8-10.4 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 4 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 9.3-15.6 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2675 from aliabs.peaks (1.48, 1.66, 29.78 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2676 from aliabs.peaks (1.66, 1.66, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 Peak 2677 from aliabs.peaks (1.65, 1.66, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 Reference assignment not found: HD3 LYS 86 - HD2 LYS 86 Peak 2678 from aliabs.peaks (3.06, 1.66, 29.78 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2679 from aliabs.peaks (2.95, 1.66, 29.78 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2682 from aliabs.peaks (3.89, 1.65, 29.78 ppm; 5.44 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=98, 2704/3.0=94...(32) HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.7 5.5=98, 2704/3.0=94...(30) HA3 GLY 75 - HD2 LYS 86 far 0 99 0 - 8.7-11.5 HA3 GLY 75 - HD3 LYS 86 far 0 99 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2683 from aliabs.peaks (1.79, 1.65, 29.78 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.6-4.0 3.5=100 HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 92 0 - 8.1-10.8 HB2 ARG 84 - HD2 LYS 86 far 0 91 0 - 8.6-11.0 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 2.6-3.8 3.5=100 HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 PRO 81 - HD2 LYS 86 far 0 99 0 - 7.2-10.4 HB3 ARG 90 - HD3 LYS 86 far 0 99 0 - 7.5-9.6 HB3 ARG 90 - HD2 LYS 86 far 0 99 0 - 7.8-9.7 HB3 PRO 81 - HD3 LYS 86 far 0 100 0 - 7.8-10.4 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 4 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 2.4-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 9.3-15.6 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2686 from aliabs.peaks (1.48, 1.65, 29.78 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2687 from aliabs.peaks (1.66, 1.65, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Reference assignment not found: HD2 LYS 86 - HD3 LYS 86 Peak 2688 from aliabs.peaks (1.65, 1.65, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 2689 from aliabs.peaks (3.06, 1.65, 29.78 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2690 from aliabs.peaks (2.95, 1.65, 29.78 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.5-4.7 2704/1.8=96, 3.0/2694=77...(21) HA3 GLY 75 - HE2 LYS 86 far 0 99 0 - 7.2-11.4 Violated in 2 structures by 0.01 A. Peak 2694 from aliabs.peaks (1.79, 3.06, 41.48 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.3-3.5 1.8/2695=73, ~2706=62...(20) HB2 ARG 84 - HE2 LYS 86 far 0 92 0 - 6.5-11.0 HB3 ARG 135 - HE2 LYS 86 far 0 73 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 2695 from aliabs.peaks (1.96, 3.06, 41.48 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.9-4.4 2706/1.8=91, 1.8/2694=78...(20) HB3 ARG 90 - HE2 LYS 86 far 0 99 0 - 5.9-9.9 HB3 PRO 81 - HE2 LYS 86 far 0 100 0 - 7.0-12.0 Violated in 15 structures by 0.15 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 2.4-3.6 3.7=100 QB ALA 34 - HE2 LYS 86 far 0 100 0 - 8.8-16.5 QB ALA 16 - HE2 LYS 86 far 0 78 0 - 9.5-37.6 QB ALA 92 - HE2 LYS 86 far 0 90 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 2697 from aliabs.peaks (1.48, 3.06, 41.48 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.7-4.0 3.7=100 Violated in 3 structures by 0.01 A. Peak 2698 from aliabs.peaks (1.66, 3.06, 41.48 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 85 0 - 6.8-12.4 HG3 ARG 84 - HE2 LYS 86 far 0 90 0 - 6.8-12.7 QB ALA 88 - HE2 LYS 86 far 0 99 0 - 7.0-9.2 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 5 assignments used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 90 0 - 6.8-12.4 HG3 ARG 84 - HE2 LYS 86 far 0 95 0 - 6.8-12.7 QB ALA 88 - HE2 LYS 86 far 0 97 0 - 7.0-9.2 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 2 assignments used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 19 - HE2 LYS 86 far 0 100 0 - 9.9-40.1 Violated in 0 structures by 0.00 A. Peak 2704 from aliabs.peaks (3.89, 2.95, 41.48 ppm; 3.76 A): 1 out of 32 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.2-4.1 3.0/2706=63, 2693/1.8=50...(22) HB2 SER 33 - HE3 LYS 31 far 5 53 10 - 4.3-11.1 HB2 SER 33 - HE2 LYS 36 far 5 51 10 - 4.4-9.0 HA ALA 41 - HE3 LYS 36 far 4 39 10 - 3.7-9.9 HA3 GLY 75 - HE2 LYS 19 far 4 71 5 - 2.2-30.3 HA3 GLY 75 - HE3 LYS 19 far 4 71 5 - 3.2-29.5 HB2 SER 33 - HE2 LYS 26 far 3 52 5 - 2.0-20.9 HB2 SER 33 - HE2 LYS 31 far 3 52 5 - 4.4-10.8 HB2 SER 33 - HE3 LYS 26 far 2 49 5 - 2.9-20.5 HB2 SER 33 - HE3 LYS 36 far 0 51 0 - 4.9-9.3 HA ALA 41 - HE2 LYS 36 far 0 39 0 - 4.9-9.7 HB2 SER 33 - HE3 LYS 19 far 0 53 0 - 6.1-21.5 HB2 SER 33 - HE2 LYS 24 far 0 53 0 - 6.5-28.0 HA ALA 41 - HE2 LYS 26 far 0 39 0 - 7.6-30.8 HB2 SER 33 - HE2 LYS 19 far 0 53 0 - 7.7-22.7 HA3 GLY 75 - HE2 LYS 26 far 0 69 0 - 7.7-28.1 HB2 SER 33 - HE3 LYS 24 far 0 47 0 - 7.8-28.3 HA ALA 41 - HE3 LYS 26 far 0 37 0 - 7.8-31.4 HA3 GLY 75 - HE2 LYS 36 far 0 68 0 - 7.9-12.9 HA3 GLY 75 - HE3 LYS 26 far 0 65 0 - 8.0-27.1 HA3 GLY 75 - HE3 LYS 24 far 0 64 0 - 8.0-35.0 HB3 SER 60 - HE3 LYS 24 far 0 46 0 - 8.2-41.6 HA3 GLY 75 - HE3 LYS 36 far 0 68 0 - 8.3-12.7 HA3 GLY 75 - HE2 LYS 24 far 0 71 0 - 8.4-34.4 HA LEU 70 - HE2 LYS 19 far 0 71 0 - 8.4-32.7 HA3 GLY 75 - HE3 LYS 86 far 0 99 0 - 8.6-11.7 HB3 SER 60 - HE2 LYS 24 far 0 51 0 - 8.8-43.0 HB2 SER 60 - HE3 LYS 24 far 0 46 0 - 9.1-42.2 HA LEU 70 - HE3 LYS 19 far 0 71 0 - 9.1-33.4 HA LEU 70 - HE2 LYS 36 far 0 68 0 - 9.4-14.0 HB2 SER 60 - HE2 LYS 24 far 0 51 0 - 9.7-43.8 HB2 SER 94 - HE3 LYS 86 far 0 96 0 - 9.8-14.4 Violated in 18 structures by 0.19 A. Peak 2705 from aliabs.peaks (1.79, 2.95, 41.48 ppm; 3.78 A): 11 out of 69 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-4.5 1.8/2706=85, 2694/1.8=69...(20) HB3 LYS 19 + HE3 LYS 19 OK 55 64 95 90 2.4-4.7 5.1=41, 3.0/11873=11...(53) HB3 LYS 19 + HE2 LYS 19 OK 50 64 85 91 2.3-5.4 5.1=41, 2634/1.8=9...(53) HB2 LYS 36 + HE2 LYS 36 OK 44 46 100 95 3.2-4.6 4.9=45, ~1064=23...(62) HB2 LYS 36 + HE3 LYS 36 OK 44 46 100 95 2.0-4.4 4.9=45, 1.8/1064=22...(59) HB3 LYS 24 + HE3 LYS 24 OK 39 47 90 92 2.6-5.3 5.1=42, 482/6.4=17...(27) HB3 LYS 24 + HE2 LYS 24 OK 39 53 80 92 2.0-5.4 5.1=42, 482/6.4=17...(27) HB3 LYS 26 + HE3 LYS 26 OK 37 47 85 91 3.5-5.4 4.8=49, 6251/7.1=12...(53) HB3 LYS 31 + HE3 LYS 31 OK 36 56 70 92 2.2-5.5 4.8=48, 6332/7.1=13...(53) HB3 LYS 31 + HE2 LYS 31 OK 35 55 70 91 2.4-5.3 4.8=48, 6332/7.1=13...(53) HB3 LYS 26 + HE2 LYS 26 OK 23 50 50 92 2.9-5.2 4.8=49, 6251/7.1=12...(53) HB3 ARG 23 - HE2 LYS 24 far 5 46 10 - 4.3-10.0 HB3 LYS 31 - HE3 LYS 19 far 3 57 5 - 4.4-20.0 HB ILE 32 - HE2 LYS 36 far 3 56 5 - 4.4-10.1 HB ILE 32 - HE3 LYS 26 far 3 54 5 - 4.6-16.1 HB3 LYS 24 - HE2 LYS 26 far 3 52 5 - 2.3-11.2 HB3 LYS 24 - HE3 LYS 26 far 2 49 5 - 2.2-9.7 HB3 ARG 23 - HE2 LYS 26 far 2 45 5 - 3.1-12.7 HB3 ARG 23 - HE2 LYS 31 far 2 45 5 - 4.6-20.4 HB3 ARG 23 - HE3 LYS 26 far 2 42 5 - 4.7-12.6 HB3 ARG 23 - HE3 LYS 24 far 0 41 0 - 4.8-9.8 HB3 LYS 31 - HE3 LYS 26 far 0 52 0 - 4.8-15.1 HB3 LYS 19 - HE3 LYS 31 far 0 64 0 - 4.9-20.5 HB ILE 32 - HE2 LYS 26 far 0 57 0 - 4.9-16.7 HB ILE 32 - HE2 LYS 31 far 0 57 0 - 5.0-10.0 HB3 LYS 24 - HE2 LYS 31 far 0 52 0 - 5.0-21.5 HB ILE 32 - HE3 LYS 31 far 0 58 0 - 5.1-9.8 HB3 LYS 31 - HE2 LYS 19 far 0 57 0 - 5.4-20.0 HB3 LYS 24 - HE3 LYS 31 far 0 53 0 - 5.6-21.1 HB3 LYS 26 - HE2 LYS 31 far 0 50 0 - 5.9-13.4 HB3 ARG 23 - HE3 LYS 31 far 0 46 0 - 5.9-19.8 HB3 ARG 23 - HE3 LYS 19 far 0 46 0 - 5.9-13.1 HB3 LYS 19 - HE3 LYS 24 far 0 57 0 - 5.9-15.4 HB3 LYS 31 - HE2 LYS 26 far 0 55 0 - 6.0-15.4 HB ILE 32 - HE3 LYS 36 far 0 56 0 - 6.1-10.4 HB3 LYS 19 - HE2 LYS 31 far 0 63 0 - 6.1-19.6 HB2 LYS 36 - HE3 LYS 26 far 0 44 0 - 6.2-21.3 HB2 LYS 36 - HE2 LYS 26 far 0 47 0 - 6.2-21.1 HB3 LYS 19 - HE2 LYS 24 far 0 64 0 - 6.3-15.6 HB3 LYS 19 - HE2 LYS 26 far 0 63 0 - 6.7-19.5 HB2 LYS 36 - HE3 LYS 31 far 0 48 0 - 6.7-12.2 HB3 LYS 26 - HE3 LYS 31 far 0 51 0 - 6.8-13.2 HB3 LYS 26 - HE3 LYS 24 far 0 46 0 - 7.0-14.0 HB2 LYS 36 - HE2 LYS 31 far 0 47 0 - 7.1-11.6 HB3 LYS 24 - HE2 LYS 19 far 0 53 0 - 7.3-17.6 HB2 ARG 84 - HE3 LYS 86 far 0 92 0 - 7.4-10.1 HB3 LYS 31 - HE3 LYS 24 far 0 51 0 - 7.5-21.6 HB ILE 32 - HE3 LYS 19 far 0 58 0 - 7.5-22.2 HB3 ARG 23 - HE2 LYS 19 far 0 46 0 - 7.6-13.7 HB ILE 32 - HE2 LYS 24 far 0 58 0 - 7.8-25.0 HB3 LYS 31 - HE2 LYS 24 far 0 56 0 - 8.0-21.6 HB3 ARG 23 - HE3 LYS 36 far 0 44 0 - 8.5-25.5 HB3 LYS 19 - HE3 LYS 26 far 0 59 0 - 8.5-17.9 HB2 LEU 48 - HE2 LYS 26 far 0 60 0 - 8.5-37.3 HB3 LYS 26 - HE2 LYS 24 far 0 51 0 - 8.5-14.0 HB ILE 32 - HE2 LYS 19 far 0 58 0 - 8.8-24.0 HB3 ARG 23 - HE2 LYS 36 far 0 44 0 - 8.9-23.9 HB2 LYS 36 - HE3 LYS 19 far 0 48 0 - 9.0-25.5 HB3 LYS 24 - HE3 LYS 19 far 0 53 0 - 9.0-18.4 HB ILE 32 - HE3 LYS 24 far 0 52 0 - 9.0-25.2 HB3 LYS 31 - HE2 LYS 36 far 0 54 0 - 9.1-14.5 HB3 LYS 26 - HE2 LYS 19 far 0 52 0 - 9.3-19.5 HB3 ARG 135 - HE3 LYS 86 far 0 73 0 - 9.4-14.5 HB3 LYS 26 - HE3 LYS 36 far 0 49 0 - 9.5-21.7 HB3 LYS 19 - HE3 LYS 36 far 0 62 0 - 9.6-24.7 HB2 LEU 48 - HE3 LYS 36 far 0 59 0 - 9.6-15.3 HB2 LEU 48 - HE3 LYS 26 far 0 56 0 - 9.7-38.1 HB3 LYS 26 - HE2 LYS 36 far 0 49 0 - 9.9-20.5 HB3 LYS 26 - HE3 LYS 19 far 0 52 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 2706 from aliabs.peaks (1.96, 2.95, 41.48 ppm; 3.36 A): 1 out of 27 assignments used, quality = 0.99: * HB3 LYS 86 + HE3 LYS 86 OK 99 100 100 99 2.9-3.6 2695/1.8=52, 3.0/2704=45...(20) HB2 GLN 27 - HE2 LYS 31 far 3 68 5 - 3.7-15.0 HB2 GLU 30 - HE2 LYS 19 far 3 57 5 - 3.5-20.0 HB2 GLU 30 - HE3 LYS 19 far 3 57 5 - 4.0-20.0 HB ILE 37 - HE3 LYS 36 far 0 63 0 - 4.6-8.3 HB ILE 37 - HE2 LYS 36 far 0 63 0 - 5.0-7.6 HB2 GLN 27 - HE3 LYS 26 far 0 64 0 - 5.0-9.7 HB3 ARG 90 - HE3 LYS 86 far 0 99 0 - 5.1-10.4 HB2 GLN 27 - HE3 LYS 31 far 0 69 0 - 5.2-15.3 HB2 GLU 30 - HE3 LYS 31 far 0 56 0 - 5.7-9.6 HB2 GLU 30 - HE2 LYS 31 far 0 55 0 - 5.9-9.3 HB2 GLU 30 - HE3 LYS 26 far 0 52 0 - 6.0-14.3 HB2 GLU 30 - HE2 LYS 26 far 0 55 0 - 6.1-14.2 HB2 GLN 27 - HE2 LYS 26 far 0 68 0 - 6.2-9.4 HB3 PRO 81 - HE3 LYS 86 far 0 100 0 - 6.3-11.7 HB ILE 37 - HE2 LYS 19 far 0 65 0 - 7.2-29.8 HB ILE 37 - HE3 LYS 19 far 0 65 0 - 7.2-28.1 HB2 GLN 27 - HE3 LYS 24 far 0 62 0 - 7.3-15.0 HB2 GLU 30 - HE3 LYS 24 far 0 51 0 - 7.4-19.2 HB ILE 37 - HE3 LYS 26 far 0 60 0 - 7.4-25.5 HB2 GLN 27 - HE2 LYS 19 far 0 70 0 - 8.0-19.4 HB2 GLN 27 - HE3 LYS 19 far 0 70 0 - 8.3-19.5 HB2 GLU 30 - HE2 LYS 24 far 0 56 0 - 8.4-19.3 HB2 GLN 27 - HE2 LYS 24 far 0 69 0 - 8.7-16.1 HB ILE 37 - HE2 LYS 26 far 0 64 0 - 8.8-26.7 HB2 PRO 58 - HE2 LYS 24 far 0 69 0 - 9.2-46.0 HB2 PRO 58 - HE3 LYS 24 far 0 62 0 - 9.2-44.5 Violated in 5 structures by 0.03 A. Peak 2707 from aliabs.peaks (1.41, 2.95, 41.48 ppm; 3.58 A): 7 out of 63 assignments used, quality = 1.00: * HG2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.1 3.7=88, 3.0/2706=59...(15) HG2 LYS 26 + HE2 LYS 26 OK 56 57 100 98 2.3-4.2 3.6=97, 6252/7.1=12...(18) HG2 LYS 26 + HE3 LYS 26 OK 52 54 100 98 2.2-3.8 3.6=97, 6252/7.1=12...(17) HG3 LYS 19 + HE3 LYS 19 OK 43 46 100 93 2.2-3.7 3.8=83, 4.2/11873=8...(26) HG3 LYS 19 + HE2 LYS 19 OK 43 46 100 92 2.2-4.2 3.8=83, 3.0/2634=7...(26) HG3 LYS 31 + HE3 LYS 31 OK 37 38 100 96 2.0-4.2 3.7=92, 3.8/11873=6...(19) HG3 LYS 31 + HE2 LYS 31 OK 36 37 100 96 2.1-3.9 3.7=92, 3.8/11873=8...(19) QB ALA 34 - HE2 LYS 26 poor 14 71 20 - 3.0-18.9 HG13 ILE 32 - HE2 LYS 31 poor 12 60 20 - 2.7-10.2 HG13 ILE 32 - HE3 LYS 31 far 9 61 15 - 3.5-9.5 QB ALA 34 - HE3 LYS 26 far 7 67 10 - 2.6-18.8 HG13 ILE 32 - HE2 LYS 26 far 6 60 10 - 3.8-14.7 QB ALA 16 - HE2 LYS 19 far 5 50 10 - 3.3-11.4 QB ALA 34 - HE3 LYS 19 far 4 73 5 - 3.4-21.5 QB ALA 34 - HE2 LYS 19 far 4 73 5 - 4.0-22.5 QB ALA 34 - HE2 LYS 24 far 4 72 5 - 4.5-27.4 HG13 ILE 32 - HE3 LYS 26 far 3 56 5 - 3.9-14.0 QB ALA 16 - HE3 LYS 19 far 2 50 5 - 4.2-11.0 QB ALA 28 - HE2 LYS 19 far 2 37 5 - 2.2-17.8 QB ALA 28 - HE3 LYS 19 far 2 37 5 - 3.2-17.3 QB ALA 16 - HE3 LYS 31 far 0 50 0 - 4.7-22.0 QB ALA 28 - HE2 LYS 31 far 0 36 0 - 4.8-10.9 QB ALA 16 - HE2 LYS 31 far 0 48 0 - 4.9-20.9 HG3 LYS 31 - HE3 LYS 26 far 0 35 0 - 5.2-15.5 QB ALA 28 - HE3 LYS 26 far 0 33 0 - 5.3-9.8 QB ALA 34 - HE2 LYS 31 far 0 71 0 - 5.5-13.1 QB ALA 28 - HE2 LYS 26 far 0 36 0 - 5.7-10.5 HG2 LYS 26 - HE3 LYS 24 far 0 52 0 - 5.7-14.5 HG13 ILE 32 - HE2 LYS 36 far 0 59 0 - 5.8-11.9 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 5.8-27.7 QB ALA 34 - HE2 LYS 36 far 0 70 0 - 5.8-7.9 QB ALA 34 - HE3 LYS 31 far 0 72 0 - 5.8-13.4 QB ALA 28 - HE3 LYS 31 far 0 36 0 - 6.1-10.9 HG3 LYS 31 - HE3 LYS 19 far 0 39 0 - 6.2-20.2 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 6.2-8.1 HG3 LYS 19 - HE2 LYS 26 far 0 45 0 - 6.4-20.1 HG2 LYS 26 - HE2 LYS 31 far 0 57 0 - 6.5-14.2 HG3 LYS 31 - HE2 LYS 26 far 0 37 0 - 6.5-16.9 HG3 LYS 31 - HE2 LYS 24 far 0 38 0 - 6.5-22.2 HG3 LYS 19 - HE3 LYS 31 far 0 46 0 - 6.7-20.3 HG3 LYS 19 - HE2 LYS 31 far 0 45 0 - 7.1-19.3 QB ALA 28 - HE2 LYS 24 far 0 36 0 - 7.1-14.7 HG13 ILE 32 - HE3 LYS 19 far 0 61 0 - 7.1-21.0 HG2 LYS 26 - HE2 LYS 24 far 0 58 0 - 7.1-13.9 HG13 ILE 32 - HE3 LYS 36 far 0 59 0 - 7.3-12.5 HG3 LYS 31 - HE2 LYS 19 far 0 39 0 - 7.3-20.3 QB ALA 16 - HE2 LYS 24 far 0 50 0 - 7.3-17.2 HG13 ILE 32 - HE2 LYS 19 far 0 61 0 - 7.3-22.7 QB ALA 28 - HE3 LYS 24 far 0 32 0 - 7.3-14.5 HG3 LYS 31 - HE3 LYS 24 far 0 34 0 - 7.4-22.4 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 7.4-14.5 HG13 ILE 32 - HE3 LYS 24 far 0 55 0 - 7.8-22.9 HG13 ILE 32 - HE2 LYS 24 far 0 61 0 - 7.8-22.7 HG3 LYS 19 - HE2 LYS 24 far 0 46 0 - 8.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 42 0 - 8.0-18.7 HG3 LYS 19 - HE3 LYS 24 far 0 41 0 - 8.0-16.3 HG2 LYS 26 - HE3 LYS 36 far 0 56 0 - 8.3-22.8 QB ALA 16 - HE3 LYS 24 far 0 44 0 - 8.3-17.5 HG3 LYS 31 - HE3 LYS 36 far 0 37 0 - 8.7-13.9 QB ALA 92 - HE3 LYS 86 far 0 90 0 - 8.9-11.1 HG2 LYS 26 - HE2 LYS 36 far 0 56 0 - 8.9-21.9 HG3 LYS 31 - HE2 LYS 36 far 0 37 0 - 9.1-12.9 HG2 LYS 26 - HE2 LYS 19 far 0 58 0 - 9.8-20.6 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 28 assignments used, quality = 1.00: * HG3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.5-3.8 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 56 56 100 100 2.1-4.0 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 56 56 100 100 2.5-3.9 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 2.1-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 34 34 100 100 2.0-4.2 4.0=100 HG3 LYS 36 - HE3 LYS 26 far 3 54 5 - 5.6-23.2 HG2 LYS 31 - HE3 LYS 26 far 3 50 5 - 4.3-16.8 HG3 LYS 24 - HE2 LYS 26 far 2 37 5 - 4.0-12.7 HG3 LYS 24 - HE2 LYS 31 far 2 37 5 - 5.6-22.4 HG3 LYS 24 - HE3 LYS 26 far 2 35 5 - 4.4-11.8 HG3 LYS 24 - HE3 LYS 31 far 0 38 0 - 5.9-22.5 HG2 LYS 31 - HE2 LYS 26 far 0 54 0 - 6.0-16.7 HG LEU 42 - HE2 LYS 36 far 0 64 0 - 6.0-12.3 HG3 LYS 36 - HE2 LYS 26 far 0 57 0 - 6.2-22.9 HG LEU 42 - HE3 LYS 36 far 0 64 0 - 6.7-12.4 HG2 LYS 31 - HE2 LYS 24 far 0 55 0 - 7.0-23.0 HG2 LYS 31 - HE3 LYS 19 far 0 55 0 - 7.0-20.9 HG3 LYS 36 - HE3 LYS 31 far 0 58 0 - 7.1-13.5 HG3 LYS 36 - HE2 LYS 31 far 0 57 0 - 7.2-12.8 HG2 LYS 31 - HE3 LYS 24 far 0 49 0 - 7.4-23.3 QB ALA 52 - HE2 LYS 26 far 0 70 0 - 7.4-35.6 QB ALA 52 - HE3 LYS 26 far 0 66 0 - 7.6-36.4 HG2 LYS 31 - HE3 LYS 36 far 0 53 0 - 7.7-15.3 HG2 LYS 31 - HE2 LYS 36 far 0 53 0 - 7.8-14.3 HG2 LYS 31 - HE2 LYS 19 far 0 55 0 - 8.0-21.1 HG3 LYS 24 - HE2 LYS 19 far 0 39 0 - 8.5-16.5 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 94 assignments used, quality = 1.00: * HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 72 72 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 31 + HE2 LYS 31 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 71 71 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 70 70 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 70 70 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 69 69 100 100 2.4-3.0 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 2.2-3.0 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 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 3 64 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 65 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 71 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 72 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 67 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 69 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 71 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 65 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 72 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 66 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 71 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 71 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 70 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 66 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 72 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 70 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 72 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 73 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 65 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 69 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 66 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 71 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 71 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 73 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 72 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 70 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 69 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 71 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 71 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 85 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 71 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 73 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 73 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 70 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 71 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 71 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 68 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 72 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 90 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 71 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 71 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 70 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 64 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 70 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 69 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 71 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 68 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 70 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 69 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 70 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 70 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 68 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 68 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 72 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 72 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 72 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 68 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 70 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 68 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 71 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 62 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 62 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 62 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 72 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 71 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 64 0 - 9.9-20.9 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 94 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 73 73 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 72 72 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 67 67 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 67 67 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 67 67 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 62 62 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 24 far 3 62 5 - 3.7-14.5 HD2 LYS 26 - HE3 LYS 24 far 0 64 0 - 4.8-14.1 HD3 LYS 26 - HE2 LYS 24 far 0 68 0 - 4.9-15.0 HD3 LYS 24 - HE3 LYS 31 far 0 73 0 - 5.0-22.9 HD3 LYS 24 - HE3 LYS 26 far 0 67 0 - 5.1-11.5 HD2 LYS 36 - HE2 LYS 26 far 0 67 0 - 5.5-22.6 HD3 LYS 24 - HE2 LYS 31 far 0 71 0 - 5.5-23.0 HD2 LYS 36 - HE3 LYS 26 far 0 63 0 - 5.5-23.0 HD2 LYS 31 - HE2 LYS 24 far 0 72 0 - 5.5-24.6 HD3 LYS 36 - HE3 LYS 26 far 0 64 0 - 5.6-24.6 HD3 LYS 24 - HE2 LYS 26 far 0 71 0 - 5.6-12.9 HD2 LYS 36 - HE3 LYS 31 far 0 68 0 - 5.8-12.0 HD2 LYS 24 - HE2 LYS 26 far 0 68 0 - 5.8-14.2 HD2 LYS 24 - HE3 LYS 26 far 0 64 0 - 5.8-12.5 HD3 LYS 31 - HE2 LYS 24 far 0 71 0 - 5.9-24.7 HD3 LYS 36 - HE2 LYS 26 far 0 68 0 - 6.1-24.2 HD2 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.1-16.8 HD2 LYS 26 - HE2 LYS 24 far 0 71 0 - 6.1-14.2 HD3 LYS 31 - HE2 LYS 19 far 0 72 0 - 6.1-22.2 HD3 LYS 31 - HE3 LYS 24 far 0 64 0 - 6.1-24.9 HD3 LYS 26 - HE2 LYS 31 far 0 67 0 - 6.2-16.5 HD2 LYS 31 - HE3 LYS 24 far 0 65 0 - 6.2-24.8 HD2 LYS 24 - HE3 LYS 31 far 0 69 0 - 6.2-23.7 HD3 LYS 31 - HE3 LYS 26 far 0 66 0 - 6.3-16.7 HD2 LYS 26 - HE2 LYS 31 far 0 69 0 - 6.4-16.8 HD3 LYS 31 - HE3 LYS 19 far 0 72 0 - 6.5-22.1 HD2 LYS 26 - HE3 LYS 31 far 0 71 0 - 6.5-16.6 HD2 LYS 24 - HE2 LYS 31 far 0 68 0 - 6.5-22.5 HD2 LYS 36 - HE2 LYS 31 far 0 67 0 - 6.7-11.5 HD3 LYS 26 - HE3 LYS 31 far 0 68 0 - 6.8-16.1 HD2 LYS 19 - HE2 LYS 24 far 0 72 0 - 6.9-18.7 HG2 ARG 84 - HE3 LYS 86 far 0 90 0 - 7.1-11.6 HD3 LYS 36 - HE3 LYS 31 far 0 69 0 - 7.1-13.7 QB ALA 88 - HE3 LYS 86 far 0 97 0 - 7.2-8.5 HD2 LYS 19 - HE3 LYS 31 far 0 72 0 - 7.3-21.5 HD2 LYS 31 - HE2 LYS 19 far 0 73 0 - 7.5-22.4 HD2 LYS 31 - HE3 LYS 19 far 0 73 0 - 7.6-22.4 HD2 LYS 31 - HE3 LYS 36 far 0 70 0 - 7.7-16.4 HD2 LYS 31 - HE2 LYS 26 far 0 71 0 - 7.7-16.7 HD3 LYS 31 - HE2 LYS 26 far 0 70 0 - 7.8-17.1 HB2 LEU 69 - HE2 LYS 36 far 0 70 0 - 7.8-13.8 HD3 LYS 36 - HE3 LYS 19 far 0 70 0 - 8.0-25.9 HG3 ARG 84 - HE3 LYS 86 far 0 95 0 - 8.0-11.8 HD2 LYS 36 - HE3 LYS 19 far 0 69 0 - 8.0-24.8 HD3 LYS 26 - HE2 LYS 19 far 0 69 0 - 8.0-22.0 HD3 LYS 31 - HE3 LYS 36 far 0 69 0 - 8.0-16.3 HD2 LYS 19 - HE3 LYS 24 far 0 65 0 - 8.2-18.5 HD2 LYS 31 - HE2 LYS 36 far 0 70 0 - 8.2-15.6 HD2 LYS 19 - HE2 LYS 31 far 0 71 0 - 8.2-20.6 HD3 LYS 26 - HE3 LYS 19 far 0 69 0 - 8.5-22.7 HD3 LYS 19 - HE2 LYS 26 far 0 70 0 - 8.5-22.4 HD3 LYS 36 - HE2 LYS 31 far 0 68 0 - 8.5-13.1 HD3 LYS 19 - HE2 LYS 24 far 0 71 0 - 8.5-17.5 HD3 LYS 19 - HE3 LYS 31 far 0 71 0 - 8.5-21.7 HD2 LYS 26 - HE2 LYS 36 far 0 68 0 - 8.5-23.4 HD2 LYS 26 - HE3 LYS 36 far 0 68 0 - 8.5-24.6 HB2 LEU 69 - HE3 LYS 36 far 0 70 0 - 8.6-14.2 HD3 LYS 26 - HE2 LYS 36 far 0 66 0 - 8.7-22.5 HD2 LYS 26 - HE2 LYS 19 far 0 71 0 - 8.7-22.4 HD3 LYS 36 - HE2 LYS 19 far 0 70 0 - 8.9-27.6 HD2 LYS 26 - HE3 LYS 19 far 0 71 0 - 8.9-23.1 HD3 LYS 19 - HE2 LYS 31 far 0 70 0 - 8.9-20.8 HD3 LYS 31 - HE2 LYS 36 far 0 69 0 - 9.1-15.3 HD3 LYS 26 - HE3 LYS 36 far 0 66 0 - 9.1-23.7 HD2 LYS 36 - HE2 LYS 19 far 0 69 0 - 9.2-26.4 HG LEU 43 - HE3 LYS 36 far 0 65 0 - 9.2-14.8 HD2 LYS 19 - HE2 LYS 26 far 0 71 0 - 9.2-22.5 HD3 LYS 19 - HE3 LYS 24 far 0 64 0 - 9.5-18.3 HG LEU 43 - HE2 LYS 36 far 0 65 0 - 9.5-14.4 HD3 LYS 24 - HE2 LYS 19 far 0 73 0 - 9.6-17.8 HD2 LYS 36 - HE2 LYS 24 far 0 68 0 - 9.8-25.4 HD3 LYS 19 - HE3 LYS 26 far 0 66 0 - 9.9-20.9 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 2 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 - HE2 LYS 19 far 0 73 0 - 9.9-40.1 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 4 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 PHE 87 + HA PHE 87 OK 99 99 100 100 2.7-3.0 3.0=100 HA VAL 93 - HA SER 74 far 0 22 0 - 6.7-9.9 HD3 ARG 135 - HA PHE 87 far 0 99 0 - 9.4-13.6 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 4 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 PHE 87 + HA PHE 87 OK 99 99 100 100 2.6-3.0 3.0=100 HA VAL 93 - HA SER 74 far 0 30 0 - 6.7-9.9 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.4-13.6 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 2.8-3.0 3.7=100 HE ARG 90 - HA PHE 87 poor 20 81 30 81 2.8-8.0 4.8/2723=35, 4.8/2804=27...(12) HE ARG 90 - HA SER 74 poor 6 30 20 - 3.2-8.7 HZ PHE 89 - HA SER 74 far 0 39 0 - 5.7-8.5 Violated in 0 structures by 0.00 A. Peak 2719 from aliabs.peaks (7.27, 4.27, 61.07 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.81: * QE PHE 87 + HA PHE 87 OK 81 100 100 81 4.4-4.5 5.6=68, 7152/2.9=30 H ASN 85 - HA PHE 87 far 0 98 0 - 6.9-7.3 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 3.6-4.3 7206=100, 3.8/2723=75...(13) H ARG 90 - HA SER 74 far 0 44 0 - 7.1-9.3 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 = 0.87: * HB2 ARG 90 + HA PHE 87 OK 87 100 90 97 3.3-5.9 3.8/7206=53, 1.8/2804=52...(12) HB2 ARG 90 - HA SER 74 far 0 44 0 - 5.8-8.8 HB3 ARG 84 - HA PHE 87 far 0 98 0 - 7.9-8.8 HB3 LEU 48 - HA THR 25 far 0 21 0 - 8.4-36.7 HB2 MET 11 - HA THR 25 far 0 28 0 - 9.7-32.8 Violated in 5 structures by 0.22 A. Peak 2724 from aliabs.peaks (1.95, 4.27, 61.07 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.99: HB3 LYS 86 + HA PHE 87 OK 99 99 100 100 3.8-5.0 7157/2.9=68, 9833/3.0=48...(19) * HB3 ARG 90 + HA PHE 87 OK 33 100 35 94 3.4-5.9 7218/7206=48, 2804=45...(12) HB3 ARG 90 - HA SER 74 far 0 44 0 - 5.3-8.1 HB2 GLN 27 - HA THR 25 far 0 24 0 - 5.9-9.3 HB2 GLU 30 - HA THR 25 far 0 26 0 - 7.2-14.7 HB2 PRO 58 - HA THR 25 far 0 29 0 - 8.9-43.4 HB ILE 37 - HA SER 74 far 0 33 0 - 8.9-10.4 HB3 LYS 86 - HA SER 74 far 0 43 0 - 9.8-12.0 Violated in 13 structures by 0.07 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 93 100 100 93 3.4-4.1 2530/4.0=39, 2532=32...(16) HA PHE 87 + HB2 PHE 87 OK 73 73 100 100 2.6-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 68 68 100 100 2.7-3.0 3.0=100 HA ARG 84 - HB3 PHE 87 far 15 97 15 - 4.3-5.6 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 4 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.6-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 97 97 100 100 2.7-3.0 3.0=100 HA ARG 84 + HB2 PHE 87 OK 65 73 100 88 3.4-4.1 4.9/11357=27...(15) HA ARG 84 - HB3 PHE 87 poor 14 68 20 - 4.3-5.6 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 2.3-2.5 2.5=100 QD PHE 87 + HB3 PHE 87 OK 97 97 100 100 2.3-2.6 2.5=100 HE ARG 90 - HB2 PHE 87 far 0 81 0 - 5.0-10.6 HE ARG 90 - HB3 PHE 87 far 0 75 0 - 5.6-10.2 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 4.4-4.5 4.4=100 H ASN 85 + HB2 PHE 87 OK 85 98 95 91 5.1-5.9 7182/4.5=42, 7115/4.0=36...(9) H ASN 85 - HB3 PHE 87 far 0 94 0 - 6.1-7.3 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 = 0.99: HA ARG 84 + HB2 PHE 87 OK 90 97 100 92 3.4-4.1 2530/4.0=39, 2532=33...(15) HA PHE 87 + HB3 PHE 87 OK 73 73 100 100 2.7-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 68 68 100 100 2.6-3.0 3.0=100 ! HA ARG 84 - HB3 PHE 87 far 15 100 15 - 4.3-5.6 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 4 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.7-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 97 97 100 100 2.6-3.0 3.0=100 HA ARG 84 + HB2 PHE 87 OK 59 68 100 87 3.4-4.1 2530/4.0=26...(15) HA ARG 84 - HB3 PHE 87 poor 15 73 20 - 4.3-5.6 Violated in 0 structures by 0.00 A. Peak 2737 from aliabs.peaks (3.23, 3.23, 38.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 87 + HB3 PHE 87 OK 99 99 - 100 HB2 PHE 87 + HB2 PHE 87 OK 97 97 - 100 Reference assignment not found: HB2 PHE 87 - HB3 PHE 87 Peak 2738 from aliabs.peaks (3.23, 3.23, 38.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 95 95 - 100 Peak 2739 from aliabs.peaks (7.32, 3.23, 38.11 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-2.6 2.5=100 QD PHE 87 + HB2 PHE 87 OK 97 97 100 100 2.3-2.5 2.5=100 HE ARG 90 - HB2 PHE 87 far 0 75 0 - 5.0-10.6 HE ARG 90 - HB3 PHE 87 far 0 81 0 - 5.6-10.2 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 4.4-4.5 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 80 94 95 90 5.1-5.9 7182/4.5=42...(8) H ASN 85 - HB3 PHE 87 far 0 98 0 - 6.1-7.3 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 - 9.7-10.8 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 5 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 95 - HA ALA 88 far 0 100 0 - 7.2-9.8 HG3 ARG 84 - HA ALA 88 far 0 76 0 - 7.2-10.7 HD2 LYS 95 - HA ALA 88 far 0 98 0 - 7.4-10.2 HG2 ARG 84 - HA ALA 88 far 0 68 0 - 7.6-10.2 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 3 assignments used, quality = 1.00: * HB2 GLU 91 + HA ALA 88 OK 100 100 100 100 2.1-3.3 2860=100, 1.8/2868=82...(17) HG2 ARG 90 - HA ALA 88 far 0 63 0 - 6.3-7.3 HB ILE 129 - HA ALA 88 far 0 99 0 - 9.1-10.6 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 3 assignments used, quality = 1.00: * HB3 GLU 91 + HA ALA 88 OK 100 100 100 100 1.9-4.1 2868=100, 1.8/2860=82...(14) HG2 ARG 90 - HA ALA 88 far 0 97 0 - 6.3-7.3 HG3 ARG 135 - HA ALA 88 far 0 100 0 - 7.2-9.6 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 2.4-3.5 7174/7185=40...(15) Violated in 2 structures by 0.02 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 2.0-2.3 3.0=100 H GLU 128 - QB ALA 88 far 0 81 0 - 7.3-8.8 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 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 2753 from aliabs.peaks (1.66, 1.66, 18.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 88 + QB ALA 88 OK 100 100 - 100 Peak 2756 from aliabs.peaks (4.08, 4.08, 62.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + HA PHE 89 OK 100 100 - 100 Peak 2757 from aliabs.peaks (3.32, 4.08, 62.01 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 89 + HA PHE 89 OK 81 81 100 100 2.4-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 far 10 99 10 - 5.6-8.1 HB3 TYR 72 - HA PHE 89 far 0 76 0 - 9.8-11.6 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 4 assignments used, quality = 1.00: * HB3 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 89 + HA PHE 89 OK 81 81 100 100 2.4-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 far 6 60 10 - 5.6-8.1 HB3 TYR 72 - HA PHE 89 far 0 100 0 - 9.8-11.6 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 2.1-3.1 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 3.9-4.3 7247=100, 7257/2897=100...(16) Violated in 0 structures by 0.00 A. Peak 2764 from aliabs.peaks (1.43, 4.08, 62.01 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 92 + HA PHE 89 OK 100 100 100 100 3.4-4.2 2897=100, 7257/7247=69...(17) HG2 LYS 86 - HA PHE 89 far 0 90 0 - 6.8-7.2 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 4 assignments used, quality = 1.00: * HA LYS 86 + HB2 PHE 89 OK 100 100 100 100 2.1-3.2 11327/2.7=68...(16) HB2 SER 94 - HB2 PHE 89 far 0 96 0 - 8.2-10.9 HA LEU 70 - HB2 PHE 89 far 0 99 0 - 9.2-11.7 HA3 GLY 75 - HB2 PHE 89 far 0 99 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2767 from aliabs.peaks (4.08, 3.32, 39.57 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 74 - HB2 PHE 89 far 0 68 0 - 9.8-12.2 HA CYS 79 - HB2 PHE 89 far 0 83 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2768 from aliabs.peaks (3.32, 3.32, 39.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 89 + HB2 PHE 89 OK 100 100 - 100 Peak 2769 from aliabs.peaks (3.34, 3.32, 39.57 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB2 PHE 89 + HB2 PHE 89 OK 81 81 - 100 Reference assignment not found: HB3 PHE 89 - HB2 PHE 89 Peak 2770 from aliabs.peaks (7.07, 3.32, 39.57 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 Violated in 0 structures by 0.00 A. Peak 2774 from aliabs.peaks (3.89, 3.34, 39.57 ppm; 6.22 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 86 + HB3 PHE 89 OK 100 100 100 100 2.2-3.4 11327/2.7=89...(13) HB2 SER 94 - HB3 PHE 89 far 0 96 0 - 7.9-10.4 HA LEU 70 - HB3 PHE 89 far 0 99 0 - 8.7-11.2 HA3 GLY 75 - HB3 PHE 89 far 0 99 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 2776 from aliabs.peaks (4.08, 3.34, 39.57 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HA CYS 79 - HB3 PHE 89 far 0 83 0 - 9.5-10.8 HB3 SER 74 - HB3 PHE 89 far 0 68 0 - 9.5-12.0 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 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2784 from aliabs.peaks (3.80, 3.80, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HA ARG 90 OK 100 100 - 100 Peak 2785 from aliabs.peaks (1.91, 3.80, 59.97 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 73 0 - 7.0-8.3 HB3 LYS 95 - HA ARG 90 far 0 65 0 - 8.7-9.7 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 2.4-3.0 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 93 0 - 7.0-8.3 HB3 LYS 86 - HA ARG 90 far 0 99 0 - 7.7-8.9 HB3 LYS 95 - HA ARG 90 far 0 97 0 - 8.7-9.7 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 4 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.5-3.7 3.8=98, 1.8/2788=77...(22) HB3 GLU 91 - HA ARG 90 far 0 97 0 - 5.5-6.6 HB2 GLU 91 - HA ARG 90 far 0 63 0 - 5.5-6.5 HB ILE 129 - HA ARG 90 far 0 83 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 2788 from aliabs.peaks (1.74, 3.80, 59.97 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-3.8 2824=91, 1.8/2787=71...(26) HG13 ILE 129 - HA ARG 90 far 0 99 0 - 4.8-7.9 HB3 LEU 70 - HA ARG 90 far 0 76 0 - 6.8-10.9 HB ILE 80 - HA ARG 90 far 0 100 0 - 8.2-9.4 HG LEU 98 - HA ARG 90 far 0 63 0 - 9.0-11.5 Violated in 1 structures by 0.00 A. Peak 2789 from aliabs.peaks (3.17, 3.80, 59.97 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.1 3.0/2788=81, 3.0/2787=79...(27) HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-4.8 3.0/2788=81, 3.0/2787=79...(28) Violated in 0 structures by 0.00 A. Peak 2790 from aliabs.peaks (3.16, 3.80, 59.97 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-4.8 3.0/2788=81, 3.0/2787=79...(28) HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.1 3.0/2788=81, 3.0/2787=79...(27) HB3 TYR 76 - HA ARG 90 far 0 57 0 - 7.3-10.1 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 3 assignments used, quality = 1.00: * H GLU 91 + HA ARG 90 OK 100 100 100 100 3.5-3.5 3.6=100 H VAL 133 - HA ARG 90 far 0 85 0 - 9.1-10.3 H ASP 71 - HA ARG 90 far 0 96 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 2792 from aliabs.peaks (8.44, 3.80, 59.97 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + HA ARG 90 OK 100 100 100 100 2.8-3.4 7262=86, 2918/9953=73...(13) H SER 74 - HA ARG 90 far 0 71 0 - 6.3-7.9 H LEU 70 - HA ARG 90 far 0 63 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 2793 from aliabs.peaks (1.83, 3.80, 59.97 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 93 + HA ARG 90 OK 100 100 100 100 1.9-2.2 2.1/9953=73, 2.1/9962=69...(11) 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 3 assignments used, quality = 1.00: * HA PHE 87 + HB2 ARG 90 OK 100 100 100 100 3.3-5.9 2723=100, 2804/1.8=100...(12) HA SER 74 + HB2 ARG 90 OK 29 87 60 57 5.8-8.8 11835/11839=29...(4) HA ARG 84 - HB2 ARG 90 far 0 73 0 - 9.2-11.5 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 1 assignment used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2797 from aliabs.peaks (1.91, 1.91, 29.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 90 + HB2 ARG 90 OK 100 100 - 100 Peak 2798 from aliabs.peaks (1.95, 1.91, 29.98 ppm; 3.14 A): 1 out of 4 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 - 5.8-8.7 HB2 LYS 95 - HB2 ARG 90 far 0 93 0 - 7.9-10.3 HB3 LYS 95 - HB2 ARG 90 far 0 97 0 - 9.5-11.5 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 3 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLU 91 + HB2 ARG 90 OK 60 97 75 83 4.6-7.3 2869/4.4=66, ~4037=19...(5) HB2 GLU 91 + HB2 ARG 90 OK 40 63 95 68 4.2-6.1 2861/4.4=34, ~4037=19...(6) Violated in 0 structures by 0.00 A. Peak 2800 from aliabs.peaks (1.74, 1.91, 29.98 ppm; 4.27 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HG13 ILE 129 - HB2 ARG 90 far 0 99 0 - 7.3-10.6 HB ILE 80 - HB2 ARG 90 far 0 100 0 - 7.3-9.8 HB3 LEU 70 - HB2 ARG 90 far 0 76 0 - 8.8-13.8 HG LEU 98 - HB2 ARG 90 far 0 63 0 - 9.4-13.5 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 2.1-4.2 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD2 ARG 84 - HB2 ARG 90 far 0 76 0 - 9.8-15.6 HD3 ARG 84 - HB2 ARG 90 far 0 76 0 - 9.8-15.4 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 5 assignments used, quality = 1.00: * HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.1-4.2 3.8=100 HB3 TYR 76 - HB2 ARG 90 far 0 57 0 - 9.1-12.0 HD2 ARG 84 - HB2 ARG 90 far 0 68 0 - 9.8-15.6 HD3 ARG 84 - HB2 ARG 90 far 0 68 0 - 9.8-15.4 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 13 assignments used, quality = 1.00: * HA PHE 87 + HB3 ARG 90 OK 100 100 100 100 3.4-5.9 2723/1.8=100...(12) HA LYS 31 + HB2 GLU 30 OK 70 70 100 100 4.4-5.8 ~6327=96, 3.0/6326=93...(17) HA SER 74 + HB3 ARG 90 OK 59 87 90 75 5.3-8.1 9592/11152=48...(5) HA ALA 28 + HB2 GLU 30 OK 41 41 100 100 4.4-6.7 ~10742=96, 2.1/10791=80...(19) HA GLN 27 + HB2 GLU 30 OK 22 46 80 60 4.2-9.0 10728/10791=38...(4) HA LYS 26 - HB2 GLU 30 poor 14 70 20 - 5.9-11.6 HA LEU 22 - HB2 GLU 30 far 7 69 10 - 6.6-20.3 HA ARG 23 - HB2 GLU 30 far 7 67 10 - 5.6-15.7 HA LYS 19 - HB2 GLU 30 far 4 70 5 - 5.8-20.1 HA THR 25 - HB2 GLU 30 far 3 51 5 - 7.2-14.7 HA ARG 84 - HB3 ARG 90 far 0 73 0 - 9.1-11.6 HA THR 18 - HB2 GLU 30 far 0 64 0 - 9.4-22.8 HA ALA 21 - HB2 GLU 30 far 0 42 0 - 10.0-21.3 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 1 assignment used, quality = 1.00: * HA ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 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 LYS 95 - HB3 ARG 90 far 0 73 0 - 7.8-9.5 HB3 LYS 36 - HB2 GLU 30 far 0 35 0 - 9.2-14.0 HB3 LYS 95 - HB3 ARG 90 far 0 65 0 - 9.5-11.0 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): 3 out of 6 assignments used, quality = 1.00: * HG2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.3-3.0 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 OK 46 63 90 81 4.2-6.4 4.0/7233=67, ~4037=16...(5) HB3 GLU 91 - HB3 ARG 90 far 10 97 10 - 5.4-6.6 HB VAL 20 - HB2 GLU 30 far 0 48 0 - 6.3-20.1 HB ILE 129 - HB3 ARG 90 far 0 83 0 - 9.8-11.5 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 2.2-3.0 2.9=100 HB2 LYS 31 + HB2 GLU 30 OK 38 69 65 85 4.1-7.2 6331/6326=75...(6) HB2 LYS 19 - HB2 GLU 30 far 3 69 5 - 3.8-19.1 HB2 LYS 26 - HB2 GLU 30 far 3 67 5 - 4.1-12.9 HB2 LYS 24 - HB2 GLU 30 far 0 68 0 - 5.3-19.2 HB2 ARG 23 - HB2 GLU 30 far 0 59 0 - 7.1-17.4 HG13 ILE 129 - HB3 ARG 90 far 0 99 0 - 7.2-10.3 HB3 LEU 70 - HB3 ARG 90 far 0 76 0 - 7.7-13.7 HB ILE 80 - HB3 ARG 90 far 0 100 0 - 8.4-9.9 HG LEU 98 - HB3 ARG 90 far 0 63 0 - 9.5-12.2 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 5 assignments used, quality = 1.00: * HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=100 HD2 ARG 23 - HB2 GLU 30 far 0 70 0 - 7.0-19.8 HD3 ARG 23 - HB2 GLU 30 far 0 68 0 - 7.7-19.8 HD3 ARG 84 - HB3 ARG 90 far 0 76 0 - 9.5-15.9 Violated in 0 structures by 0.00 A. Peak 2812 from aliabs.peaks (3.16, 1.95, 29.98 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=100 HD2 ARG 23 - HB2 GLU 30 far 0 70 0 - 7.0-19.8 HD3 ARG 23 - HB2 GLU 30 far 0 70 0 - 7.7-19.8 HB3 TYR 76 - HB3 ARG 90 far 0 57 0 - 9.0-12.1 HD3 ARG 84 - HB3 ARG 90 far 0 68 0 - 9.5-15.9 Violated in 0 structures by 0.00 A. Peak 2814 from aliabs.peaks (8.57, 2.02, 27.95 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.0-3.1 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 2.5-3.7 3.8=100 HD3 PRO 58 + HG2 PRO 58 OK 70 70 100 100 2.3-3.0 2.3=100 HA LEU 43 - HB2 GLU 44 far 0 44 0 - 5.5-6.6 HB2 SER 130 - HB2 GLU 44 far 0 46 0 - 7.4-10.5 HA LEU 43 - HB3 GLU 40 far 0 59 0 - 7.5-8.7 HB3 SER 130 - HB2 GLU 44 far 0 36 0 - 8.6-11.1 HA SER 130 - HB2 GLU 44 far 0 38 0 - 8.7-10.5 HB2 SER 130 - HB3 GLU 40 far 0 61 0 - 9.8-11.7 HB2 SER 50 - HB2 GLU 44 far 0 38 0 - 9.9-12.9 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 12 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 40 + HB3 GLU 40 OK 74 74 100 100 1.8-1.8 1.8=100 HB2 GLU 40 - HB2 GLU 44 far 0 56 0 - 4.6-7.9 HB3 LEU 48 - HB2 GLU 44 far 0 49 0 - 5.2-8.2 HB3 LYS 36 - HB3 GLU 40 far 0 44 0 - 6.3-13.2 HB2 PRO 113 - HG2 PRO 58 far 0 93 0 - 8.2-14.6 HB3 LYS 36 - HB2 GLU 44 far 0 32 0 - 8.3-13.5 HG2 PRO 113 - HG2 PRO 58 far 0 74 0 - 8.7-15.3 HB3 LEU 49 - HB2 GLU 44 far 0 66 0 - 8.9-12.3 HB2 LYS 95 - HG2 ARG 90 far 0 73 0 - 9.7-11.3 HG LEU 53 - HG2 PRO 58 far 0 66 0 - 9.7-14.1 HB3 LEU 49 - HG2 PRO 58 far 0 93 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 2817 from aliabs.peaks (1.95, 2.02, 27.95 ppm; 4.74 A): 3 out of 7 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.3-3.0 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 OK 59 99 65 92 4.7-6.9 9823/9662=63...(12) HB ILE 37 - HB3 GLU 40 far 0 67 0 - 7.8-10.8 HG2 PRO 113 - HG2 PRO 58 far 0 74 0 - 8.7-15.3 HB2 LYS 95 - HG2 ARG 90 far 0 93 0 - 9.7-11.3 HG LEU 53 - HG2 PRO 58 far 0 82 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 2818 from aliabs.peaks (2.02, 2.02, 27.95 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 HG2 PRO 58 + HG2 PRO 58 OK 92 92 - 100 HB3 GLU 40 + HB3 GLU 40 OK 84 84 - 100 HB2 GLU 44 + HB2 GLU 44 OK 66 66 - 100 Peak 2819 from aliabs.peaks (1.74, 2.02, 27.95 ppm; 3.26 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 39 - HB3 GLU 40 far 5 53 10 - 4.1-7.0 HD3 LYS 39 - HB3 GLU 40 far 0 55 0 - 4.7-8.1 HG LEU 48 - HB2 GLU 44 far 0 41 0 - 5.3-8.4 HB2 LYS 24 - HG2 PRO 58 far 0 91 0 - 6.0-42.4 HB ILE 80 - HG2 ARG 90 far 0 100 0 - 6.3-7.1 HG13 ILE 129 - HG2 ARG 90 far 0 99 0 - 6.4-10.4 HB2 LYS 39 - HB2 GLU 44 far 0 39 0 - 8.0-11.1 HD3 LYS 39 - HB2 GLU 44 far 0 41 0 - 8.4-12.6 HB3 LEU 70 - HG2 ARG 90 far 0 76 0 - 9.3-13.7 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 2 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 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 5 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 TYR 76 - HG2 ARG 90 far 0 57 0 - 6.7-10.0 HB3 TYR 76 - HB3 GLU 40 far 0 42 0 - 9.4-12.8 HB3 TYR 76 - HB2 GLU 44 far 0 31 0 - 9.7-13.6 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 2.0-4.0 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 1 assignment used, quality = 1.00: * HA ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.3-3.8 2788=100, 2787/1.8=75...(26) Violated in 0 structures by 0.00 A. Peak 2825 from aliabs.peaks (1.91, 1.74, 27.95 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 95 - HG3 ARG 90 far 0 73 0 - 9.3-10.6 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 2.2-3.0 2.9=100 HB3 LYS 86 - HG3 ARG 90 far 0 99 0 - 5.8-7.9 HB2 LYS 95 - HG3 ARG 90 far 0 93 0 - 9.3-10.6 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 4 assignments used, quality = 1.00: * HG2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 91 - HG3 ARG 90 far 3 63 5 - 3.6-7.9 HB3 GLU 91 - HG3 ARG 90 far 0 97 0 - 5.1-8.3 HB ILE 129 - HG3 ARG 90 far 0 83 0 - 8.9-11.5 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 2 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 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 3 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 TYR 76 - HG3 ARG 90 far 0 57 0 - 6.8-11.3 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 3.6-5.1 7219/3.0=95, 7220/3.0=91...(24) H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.5-5.2 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 2 assignments used, quality = 1.00: HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.3-4.8 2788/3.0=67, 2787/3.0=65...(28) * HA ARG 90 + HD2 ARG 90 OK 90 100 90 100 3.8-5.1 2788/3.0=67, 2787/3.0=65...(27) Violated in 12 structures by 0.03 A. Peak 2834 from aliabs.peaks (1.91, 3.17, 43.17 ppm; 3.82 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.1-4.2 3.8=100 HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HB2 GLU 30 - HD2 ARG 23 far 0 58 0 - 7.0-19.8 HB2 GLU 30 - HD3 ARG 23 far 0 54 0 - 7.7-19.8 HB2 LYS 95 - HD3 ARG 90 far 0 72 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 10.0-12.9 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 10 assignments used, quality = 1.00: * HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=96, 11838/2.9=42...(23) HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=96, 11838/2.9=42...(24) HB3 LYS 86 - HD2 ARG 90 far 5 99 5 - 4.3-7.6 HB2 GLN 27 - HD2 ARG 23 far 4 82 5 - 4.5-14.9 HB3 LYS 86 - HD3 ARG 90 far 0 99 0 - 5.3-8.5 HB2 GLN 27 - HD3 ARG 23 far 0 78 0 - 5.5-14.8 HB2 GLU 30 - HD2 ARG 23 far 0 85 0 - 7.0-19.8 HB2 GLU 30 - HD3 ARG 23 far 0 81 0 - 7.7-19.8 HB2 LYS 95 - HD3 ARG 90 far 0 92 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 10.0-12.9 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 14 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 10 63 15 - 2.0-7.9 HB VAL 20 - HD2 ARG 23 far 3 67 5 - 3.6-8.3 HB2 GLU 91 - HD2 ARG 90 far 0 63 0 - 4.5-9.5 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.6-9.7 HB2 GLU 91 - HD3 ARG 90 far 0 62 0 - 5.7-8.4 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 6.8-9.3 HB3 GLU 30 - HD2 ARG 23 far 0 85 0 - 7.4-20.5 HB3 GLU 30 - HD3 ARG 23 far 0 81 0 - 7.5-20.4 QE MET 11 - HD3 ARG 23 far 0 88 0 - 7.5-25.0 HB ILE 129 - HD3 ARG 90 far 0 82 0 - 8.0-12.9 QE MET 11 - HD2 ARG 23 far 0 91 0 - 8.3-25.4 HB ILE 129 - HD2 ARG 90 far 0 83 0 - 9.6-12.9 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 18 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 81 81 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 ARG 23 + HD3 ARG 23 OK 77 77 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 LYS 26 - HD3 ARG 23 far 0 85 0 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 87 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 98 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 91 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 89 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 86 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 90 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 91 0 - 6.8-12.6 HB3 LEU 70 - HD3 ARG 90 far 0 75 0 - 7.1-14.5 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 99 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 87 0 - 7.5-12.0 HB3 LEU 70 - HD2 ARG 90 far 0 76 0 - 8.0-15.1 Violated in 0 structures by 0.00 A. Peak 2838 from aliabs.peaks (3.17, 3.17, 43.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 92 92 - 100 HD3 ARG 23 + HD3 ARG 23 OK 86 86 - 100 Peak 2839 from aliabs.peaks (3.16, 3.17, 43.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 92 92 - 100 HD3 ARG 23 + HD3 ARG 23 OK 88 88 - 100 Reference assignment not found: HD3 ARG 90 - HD2 ARG 90 Peak 2841 from aliabs.peaks (8.57, 3.16, 43.17 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.5-5.2 7219/3.0=95, 7220/3.0=91...(23) H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.6-5.1 7219/3.0=95, 7220/3.0=91...(24) 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 2 assignments used, quality = 1.00: * HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.3-4.8 2788/3.0=67, 2787/3.0=65...(28) HA ARG 90 + HD2 ARG 90 OK 90 100 90 100 3.8-5.1 2788/3.0=67, 2787/3.0=65...(27) Violated in 12 structures by 0.03 A. Peak 2843 from aliabs.peaks (1.91, 3.16, 43.17 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.1-4.2 3.8=100 HB2 GLU 30 - HD2 ARG 23 far 0 59 0 - 7.0-19.8 HB2 GLU 30 - HD3 ARG 23 far 0 58 0 - 7.7-19.8 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 72 0 - 10.0-12.9 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 10 assignments used, quality = 1.00: * HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.8 3.8=96, 11838/2.9=42...(24) HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.7-4.0 3.8=96, 11838/2.9=42...(23) HB3 LYS 86 - HD2 ARG 90 far 5 99 5 - 4.3-7.6 HB2 GLN 27 - HD2 ARG 23 far 4 84 5 - 4.5-14.9 HB3 LYS 86 - HD3 ARG 90 far 0 99 0 - 5.3-8.5 HB2 GLN 27 - HD3 ARG 23 far 0 82 0 - 5.5-14.8 HB2 GLU 30 - HD2 ARG 23 far 0 87 0 - 7.0-19.8 HB2 GLU 30 - HD3 ARG 23 far 0 85 0 - 7.7-19.8 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 9.4-12.1 HB2 LYS 95 - HD2 ARG 90 far 0 92 0 - 10.0-12.9 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 14 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 10 67 15 - 2.0-7.9 HB VAL 20 - HD2 ARG 23 far 3 69 5 - 3.6-8.3 HB2 GLU 91 - HD2 ARG 90 far 0 62 0 - 4.5-9.5 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.6-9.7 HB2 GLU 91 - HD3 ARG 90 far 0 63 0 - 5.7-8.4 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 6.8-9.3 HB3 GLU 30 - HD2 ARG 23 far 0 87 0 - 7.4-20.5 HB3 GLU 30 - HD3 ARG 23 far 0 85 0 - 7.5-20.4 QE MET 11 - HD3 ARG 23 far 0 91 0 - 7.5-25.0 HB ILE 129 - HD3 ARG 90 far 0 83 0 - 8.0-12.9 QE MET 11 - HD2 ARG 23 far 0 93 0 - 8.3-25.4 HB ILE 129 - HD2 ARG 90 far 0 82 0 - 9.6-12.9 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 18 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 83 83 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 ARG 23 + HD3 ARG 23 OK 81 81 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 LYS 26 - HD3 ARG 23 far 0 89 0 - 4.6-13.5 HB2 LYS 31 - HD3 ARG 23 far 0 91 0 - 5.3-18.4 HG13 ILE 129 - HD3 ARG 90 far 0 99 0 - 5.5-12.2 HB2 LYS 31 - HD2 ARG 23 far 0 92 0 - 5.6-19.4 HB2 LYS 26 - HD2 ARG 23 far 0 91 0 - 5.9-12.8 HB2 LYS 24 - HD3 ARG 23 far 0 90 0 - 5.9-9.4 HB2 LYS 24 - HD2 ARG 23 far 0 92 0 - 6.0-9.3 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 6.2-9.5 HB2 LYS 19 - HD2 ARG 23 far 0 92 0 - 6.8-12.6 HB3 LEU 70 - HD3 ARG 90 far 0 76 0 - 7.1-14.5 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 7.1-9.2 HG13 ILE 129 - HD2 ARG 90 far 0 98 0 - 7.2-12.1 HB2 LYS 19 - HD3 ARG 23 far 0 91 0 - 7.5-12.0 HB3 LEU 70 - HD2 ARG 90 far 0 75 0 - 8.0-15.1 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 - 8.1-9.0 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 5 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.2-2.7 3.0=100 HB ILE 129 - HA GLN 127 far 0 84 0 - 5.1-5.6 HG2 ARG 90 - HA GLU 91 far 0 63 0 - 5.8-6.6 HB3 LEU 53 - HA GLN 127 far 0 87 0 - 7.6-10.2 HB2 GLN 134 - HA GLN 127 far 0 53 0 - 9.3-11.4 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 5 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 GLN 127 + HA GLN 127 OK 74 74 100 100 2.7-3.0 3.0=100 HG2 ARG 90 - HA GLU 91 far 0 97 0 - 5.8-6.6 HB2 GLN 134 - HA GLN 127 far 0 80 0 - 9.3-11.4 HG3 ARG 135 - HA GLN 127 far 0 88 0 - 9.6-14.0 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 6 assignments used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 3.7-3.9 3.9=100 HB3 GLN 127 + HA GLN 127 OK 80 80 100 100 2.6-3.0 3.0=100 HB3 GLU 128 - HA GLN 127 far 3 64 5 - 5.5-6.6 HB3 GLU 128 - HA GLU 91 far 0 81 0 - 8.1-10.5 HB VAL 133 - HA GLN 127 far 0 64 0 - 8.9-11.6 HB3 GLU 97 - HA GLU 91 far 0 98 0 - 9.5-11.4 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 3.4-3.6 3.9=100 HB VAL 126 + HA GLN 127 OK 72 72 100 99 4.1-4.7 2.1/10394=81...(12) HB2 GLU 128 - HA GLN 127 far 0 81 0 - 5.5-6.2 HB2 GLU 128 - HA GLU 91 far 0 97 0 - 7.6-10.5 HG3 GLN 134 - HA GLN 127 far 0 75 0 - 7.9-11.4 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 4.2-4.5 7259/3.6=80, 3.6/2858=64...(8) H ILE 129 + HA GLN 127 OK 82 82 100 100 4.2-4.7 7855/3.6=84, 7820/2.9=81...(11) H SER 51 - HA GLN 127 far 0 85 0 - 7.8-9.1 H ILE 129 - HA GLU 91 far 0 97 0 - 9.1-10.6 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 5 assignments used, quality = 0.80: * HB2 SER 94 + HA GLU 91 OK 72 100 100 72 3.8-5.0 2938=47, 3.6/2857=38 HB3 SER 50 + HA GLN 127 OK 27 66 75 55 4.7-7.2 1.8/4037=23, ~10503=16...(6) HA ALA 46 - HA GLN 127 poor 17 85 50 39 5.0-6.3 9173/10394=36, 9173/11611=4 HA LYS 86 - HA GLU 91 far 0 96 0 - 8.6-9.3 HA LEU 70 - HA GLU 91 far 0 87 0 - 10.0-12.4 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 2.1-3.3 2748=99, 2868/1.8=82...(17) HA LEU 53 - HB3 PRO 56 far 0 41 0 - 8.6-9.4 HA GLU 128 - HB2 GLU 91 far 0 95 0 - 9.2-11.5 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 2.1-3.3 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 2.2-2.7 3.0=100 HA3 GLY 111 - HB3 PRO 56 far 0 37 0 - 5.7-14.5 HB3 SER 94 - HB2 GLU 91 far 0 100 0 - 6.0-8.0 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 8 assignments used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 + HB3 PRO 56 OK 48 48 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HB3 PRO 56 OK 43 43 100 100 2.3-2.3 2.3=100 HG3 PRO 113 - HB3 PRO 56 far 0 43 0 - 5.0-9.9 HG2 ARG 90 - HB2 GLU 91 far 0 97 0 - 5.3-7.4 HB3 GLU 55 - HB3 PRO 56 far 0 67 0 - 6.7-7.1 HG2 PRO 58 - HB3 PRO 56 far 0 69 0 - 8.5-8.9 HG3 ARG 135 - HB2 GLU 91 far 0 100 0 - 9.7-12.7 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 2.4-3.0 3.0=100 HB3 GLU 128 - HB2 GLU 91 far 0 81 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 2866 from aliabs.peaks (2.09, 1.99, 28.84 ppm; 4.74 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 - HB3 PRO 56 far 0 71 0 - 6.5-6.6 HB2 GLU 128 - HB2 GLU 91 far 0 97 0 - 6.8-10.3 HB VAL 112 - HB3 PRO 56 far 0 45 0 - 7.5-12.1 HG3 PRO 58 - HB3 PRO 56 far 0 37 0 - 8.0-8.6 HB3 GLN 61 - HB3 PRO 56 far 0 67 0 - 8.5-10.3 HB2 GLN 61 - HB3 PRO 56 far 0 69 0 - 9.1-10.5 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 3.5-4.1 7252=100, 7253/1.8=88...(22) Violated in 0 structures by 0.00 A. Peak 2868 from aliabs.peaks (4.20, 2.03, 28.84 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 88 + HB3 GLU 91 OK 100 100 100 100 1.9-4.1 2749=73, 2860/1.8=68...(14) HA GLU 128 - HB3 GLU 91 far 0 95 0 - 9.4-11.7 Violated in 15 structures by 0.10 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 2.1-3.5 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 2.3-2.8 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 HG2 ARG 90 - HB3 GLU 91 far 0 63 0 - 6.2-8.0 HB ILE 129 - HB3 GLU 91 far 0 99 0 - 10.0-12.1 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 2.4-3.0 3.0=100 HB3 GLU 128 - HB3 GLU 91 far 0 81 0 - 7.2-9.9 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 - 7.3-10.2 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 3.4-4.1 7253=100, 7252/1.8=91...(19) 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 2.8-3.4 4.7=100 H VAL 133 - HG2 GLU 91 far 0 85 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 2877 from aliabs.peaks (3.97, 2.21, 35.29 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 3.7-3.9 3.9=77, 2884/1.8=72...(15) HB3 SER 94 - HG2 GLU 91 far 0 100 0 - 6.5-8.5 HB2 SER 124 - HG2 GLU 91 far 0 90 0 - 9.7-11.9 Violated in 20 structures by 0.25 A. Peak 2878 from aliabs.peaks (1.99, 2.21, 35.29 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 0 63 0 - 6.2-7.6 HB ILE 129 - HG2 GLU 91 far 0 99 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 2879 from aliabs.peaks (2.03, 2.21, 35.29 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 0 97 0 - 6.2-7.6 HG3 ARG 135 - HG2 GLU 91 far 0 100 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 2880 from aliabs.peaks (2.21, 2.21, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 Peak 2881 from aliabs.peaks (2.09, 2.21, 35.29 ppm; 2.59 A): 1 out of 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 - 4.4-7.9 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 2.0-2.5 7254=100, 7255/1.8=88...(21) 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 3.8-4.3 4.7=100 H VAL 133 - HG3 GLU 91 far 0 85 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2884 from aliabs.peaks (3.97, 2.09, 35.29 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG3 GLU 91 OK 100 100 100 100 3.4-3.6 3.9=79, 2877/1.8=73...(15) HB3 SER 94 - HG3 GLU 91 far 0 100 0 - 5.9-8.2 HB2 SER 124 - HG3 GLU 91 far 0 90 0 - 8.9-11.1 Violated in 6 structures by 0.00 A. Peak 2885 from aliabs.peaks (1.99, 2.09, 35.29 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG3 GLU 91 far 0 63 0 - 7.5-8.8 HB ILE 129 - HG3 GLU 91 far 0 99 0 - 8.6-10.2 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 3 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 90 - HG3 GLU 91 far 0 97 0 - 7.5-8.8 HG3 ARG 135 - HG3 GLU 91 far 0 100 0 - 9.8-12.0 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 - 5.6-7.5 Violated in 0 structures by 0.00 A. Peak 2888 from aliabs.peaks (2.09, 2.09, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 Peak 2889 from aliabs.peaks (7.82, 2.09, 35.29 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HG3 GLU 91 OK 100 100 100 100 2.6-3.3 7255=100, 7254/1.8=92...(25) 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 1 assignment used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 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 3.4-3.7 7273/3.6=87...(21) Violated in 0 structures by 0.00 A. Peak 2895 from aliabs.peaks (1.94, 4.05, 54.95 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.8-4.8 ~9948=60, 4.0/2894=48...(16) * HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.5-3.6 4.0/2894=48, 9948/2.1=45...(18) HB3 ARG 90 - HA ALA 92 far 0 93 0 - 7.4-7.7 HB2 ARG 90 - HA ALA 92 far 0 73 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 2896 from aliabs.peaks (1.94, 4.05, 54.95 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.8-4.8 ~9948=60, 4.0/2894=48...(17) HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.5-3.6 9948/2.1=54, 4.0/2894=48...(18) HB3 ARG 90 - HA ALA 92 far 0 97 0 - 7.4-7.7 HB2 ARG 90 - HA ALA 92 far 0 65 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 2897 from aliabs.peaks (4.08, 1.43, 18.11 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.98: * HA PHE 89 + QB ALA 92 OK 98 100 100 98 3.4-4.2 2764=54, 7247/7257=47...(17) HA LEU 98 - QB ALA 92 far 0 81 0 - 9.9-10.4 Violated in 19 structures by 0.22 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 2.2-2.3 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 4 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 - 5.5-6.3 HA LEU 122 - QB ALA 92 far 0 92 0 - 6.1-7.8 HB2 SER 74 - QB ALA 92 far 0 100 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 2900 from aliabs.peaks (1.43, 1.43, 18.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + QB ALA 92 OK 100 100 - 100 Peak 2901 from aliabs.peaks (8.44, 1.43, 18.11 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 100 100 2.4-2.9 3.7=100 H LEU 70 - QB ALA 92 far 0 63 0 - 8.0-10.2 H SER 74 - QB ALA 92 far 0 71 0 - 8.7-10.1 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 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 LEU 70 - HA VAL 93 far 0 63 0 - 5.5-8.2 H SER 74 - HA VAL 93 far 0 71 0 - 6.9-8.8 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 - 7.2-9.7 Violated in 0 structures by 0.00 A. Peak 2905 from aliabs.peaks (0.29, 3.25, 66.70 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + HA VAL 93 OK 100 100 100 100 2.0-2.4 3.2=100 QD1 ILE 80 - HA VAL 93 far 0 76 0 - 7.9-9.0 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 2.4-2.7 3.2=100 QD2 LEU 96 + HA VAL 93 OK 99 100 100 99 1.9-2.8 11806=48, 2922/2919=27...(36) QD1 LEU 96 - HA VAL 93 poor 19 76 25 - 4.1-4.8 HG12 ILE 129 - HA VAL 93 far 5 100 5 - 4.0-5.0 QD2 LEU 43 - HA VAL 93 far 0 99 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 2907 from aliabs.peaks (7.99, 3.25, 66.70 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + HA VAL 93 OK 100 100 100 100 3.6-3.6 3.6=100 H ILE 129 + HA VAL 93 OK 33 97 35 98 5.4-6.3 7873/10461=71...(11) 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 3.0-3.3 7311=100, 11425/2919=69...(28) H VAL 126 - HA VAL 93 far 0 100 0 - 6.0-6.8 H SER 99 - HA VAL 93 far 0 90 0 - 7.4-8.4 H LEU 69 - HA VAL 93 far 0 76 0 - 7.6-10.1 H ASP 131 - HA VAL 93 far 0 100 0 - 9.0-9.9 H LEU 123 - HA VAL 93 far 0 99 0 - 9.6-10.9 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 5 assignments used, quality = 1.00: * HB2 LEU 96 + HA VAL 93 OK 100 100 100 100 2.2-4.5 3.2/11806=57...(39) HG LEU 96 + HA VAL 93 OK 89 89 100 100 2.9-3.9 2.1/11806=69...(32) HG2 LYS 95 - HA VAL 93 far 10 99 10 - 5.0-7.8 HG3 LYS 95 - HA VAL 93 far 0 100 0 - 6.5-7.9 HB3 LEU 100 - HA VAL 93 far 0 99 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 2910 from aliabs.peaks (2.24, 3.25, 66.70 ppm; 4.59 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 96 + HA VAL 93 OK 100 100 100 100 2.2-3.9 3.2/11806=66...(38) HG2 GLU 97 + HA VAL 93 OK 75 100 75 100 3.8-7.0 11457/4.9=50, ~9972=47...(24) HB3 GLU 97 - HA VAL 93 far 0 76 0 - 5.7-7.1 HB3 GLU 128 - HA VAL 93 far 0 97 0 - 6.1-9.0 HG2 GLN 68 - HA VAL 93 far 0 65 0 - 9.4-13.8 HB3 GLN 127 - HA VAL 93 far 0 83 0 - 9.5-11.0 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 4 assignments used, quality = 1.00: * HA ARG 90 + HB VAL 93 OK 100 100 100 100 1.9-2.2 2793=100, 9953/2.1=88...(12) HA SER 130 - HB3 ARG 135 far 0 30 0 - 8.4-10.6 HB2 SER 130 - HB3 ARG 135 far 0 36 0 - 9.5-12.5 HA SER 130 - HB VAL 93 far 0 68 0 - 9.6-10.7 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 3 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 100 100 2.2-2.5 4.0=100 H SER 74 - HB VAL 93 far 0 71 0 - 5.6-7.2 H LEU 70 - HB VAL 93 far 0 63 0 - 6.8-9.8 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 4 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 PHE 87 - HB3 ARG 135 far 0 27 0 - 9.1-11.5 HB3 PHE 87 - HB VAL 93 far 0 81 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2914 from aliabs.peaks (1.83, 1.83, 31.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HB VAL 93 OK 100 100 - 100 HB3 ARG 135 + HB3 ARG 135 OK 49 49 - 100 Peak 2915 from aliabs.peaks (0.29, 1.83, 31.24 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 93 + HB VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 80 - HB VAL 93 far 0 76 0 - 6.4-7.5 QD1 ILE 80 - HB3 ARG 135 far 0 34 0 - 6.9-9.0 Violated in 0 structures by 0.00 A. Peak 2916 from aliabs.peaks (0.75, 1.83, 31.24 ppm; 3.62 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 84 100 85 99 3.7-4.9 11806/3.0=44...(35) HG12 ILE 129 - HB VAL 93 far 0 100 0 - 4.7-6.9 QD1 LEU 96 - HB VAL 93 far 0 76 0 - 6.0-7.1 QD2 LEU 43 - HB3 ARG 135 far 0 52 0 - 7.3-9.2 QD2 LEU 43 - HB VAL 93 far 0 99 0 - 9.1-11.2 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 2.2-2.7 4.7=100 H ILE 129 - HB VAL 93 far 0 97 0 - 7.0-8.0 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 4 assignments used, quality = 1.00: * H VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.2-2.7 7270=88, 7269/2.1=54...(16) H SER 74 - QG2 VAL 93 far 4 71 5 - 4.0-5.5 H LEU 70 - QG2 VAL 93 far 0 63 0 - 4.4-6.6 H ASP 47 - QG2 VAL 93 far 0 81 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2919 from aliabs.peaks (3.25, 0.29, 23.10 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.0-2.4 3.2=98, 2.9/2918=51...(23) HB3 PHE 87 - QG2 VAL 93 far 0 81 0 - 8.9-9.5 HB2 PHE 87 - QG2 VAL 93 far 0 63 0 - 9.2-9.9 HD3 ARG 135 - QG2 VAL 93 far 0 81 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 2920 from aliabs.peaks (1.83, 0.29, 23.10 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG2 VAL 93 far 0 99 0 - 7.1-9.8 HB2 CYS 79 - QG2 VAL 93 far 0 100 0 - 9.7-10.8 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): 3 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 96 + QG2 VAL 93 OK 96 100 100 96 1.9-3.1 11806/3.2=20, ~9974=18...(47) HG12 ILE 129 + QG2 VAL 93 OK 23 100 25 93 2.2-4.2 2.1/9967=44...(23) QD1 LEU 96 - QG2 VAL 93 far 0 76 0 - 4.0-5.3 QD2 LEU 43 - QG2 VAL 93 far 0 99 0 - 6.0-7.6 QD1 ILE 37 - QG2 VAL 93 far 0 87 0 - 8.3-9.4 QD2 LEU 103 - QG2 VAL 93 far 0 89 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 2923 from aliabs.peaks (7.99, 0.29, 23.10 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + QG2 VAL 93 OK 100 100 100 100 3.7-4.1 7282=100, 7283/2.1=82...(28) H ILE 129 + QG2 VAL 93 OK 47 97 50 97 4.5-5.2 7873/10487=55...(12) Violated in 0 structures by 0.00 A. Peak 2924 from aliabs.peaks (8.44, 0.75, 21.32 ppm; 3.53 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 93 + QG1 VAL 93 OK 100 100 100 100 3.6-3.8 2918/2.1=76, 3.9=72...(12) H SER 74 + QG1 VAL 93 OK 51 71 75 95 3.2-4.9 2.9/9590=41...(14) H LEU 70 - QG1 VAL 93 poor 16 63 25 - 3.7-6.6 Violated in 3 structures by 0.00 A. Peak 2925 from aliabs.peaks (3.25, 0.75, 21.32 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.4-2.7 3.2=100 HB3 PHE 87 - QG1 VAL 93 far 0 81 0 - 9.9-10.5 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 2 assignments used, quality = 1.00: * HB VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG1 VAL 93 far 0 99 0 - 6.5-8.4 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 2.0-2.1 2.1=100 QD1 ILE 80 - QG1 VAL 93 far 0 76 0 - 6.0-7.0 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 2.5-3.0 7283=100, 7281/2.1=83...(23) H ILE 129 - QG1 VAL 93 far 0 97 0 - 6.8-7.5 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 - 6.6-7.4 H SER 51 - HA SER 124 far 0 91 0 - 9.7-10.9 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 4 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA LEU 70 - HA SER 94 far 0 87 0 - 5.6-8.2 HB3 SER 50 - HA SER 124 far 0 73 0 - 6.7-9.2 HA ALA 46 - HA SER 124 far 0 91 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2933 from aliabs.peaks (3.97, 4.24, 61.49 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 100 100 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 - 5.1-5.9 HA GLU 91 - HA SER 94 far 0 100 0 - 6.2-6.5 HA SER 50 - HA SER 124 far 0 64 0 - 6.4-7.7 HB3 SER 99 - HA SER 94 far 0 71 0 - 7.8-10.9 HB3 SER 99 - HA SER 124 far 0 61 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 2934 from aliabs.peaks (7.70, 4.24, 61.49 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HA SER 94 OK 100 100 100 100 3.4-3.5 3.6=100 H GLN 101 - HA SER 94 far 0 93 0 - 7.9-9.2 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 3.5-3.9 7334=100, 7345/3117=72...(17) H LEU 100 - HA SER 94 far 0 98 0 - 7.7-8.8 H VAL 132 - HA SER 124 far 0 64 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2936 from aliabs.peaks (2.13, 4.24, 61.49 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HA SER 94 OK 100 100 100 100 2.9-5.1 3117=100, 2.9/11457=70...(11) HB VAL 126 - HA SER 124 far 0 61 0 - 5.4-6.0 HB3 LEU 69 - HA SER 94 far 0 73 0 - 7.9-13.0 Violated in 7 structures by 0.14 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 100 100 100 100 3.4-5.1 1.8/3117=89...(14) HB3 GLN 127 + HA SER 124 OK 93 93 100 100 2.1-4.4 4049=99, 1.8/4039=84...(10) HG2 GLU 97 + HA SER 94 OK 72 76 95 99 1.9-5.9 2.9/3117=73, 11457=65...(13) HB3 LEU 96 - HA SER 94 far 0 76 0 - 5.4-7.3 HB3 GLU 128 - HA SER 124 far 0 86 0 - 5.5-7.4 HB3 LEU 96 - HA SER 124 far 0 66 0 - 7.4-9.2 HB2 GLN 101 - HA SER 94 far 0 93 0 - 8.6-10.6 HG2 GLU 91 - HA SER 94 far 0 98 0 - 8.6-9.0 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 5 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 90 100 100 90 3.8-5.0 2858=82, 2857/3.6=38 HA VAL 20 - HB2 SER 33 far 0 59 0 - 8.3-23.6 HA GLN 68 - HB2 SER 33 far 0 37 0 - 8.5-11.9 HB3 SER 99 - HB2 SER 94 far 0 73 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 2940 from aliabs.peaks (4.24, 3.90, 63.10 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 94 + HB2 SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 34 + HB2 SER 33 OK 40 47 85 100 4.4-5.7 3.0/6373=72...(12) HA GLU 30 - HB2 SER 33 far 0 48 0 - 7.4-10.8 HA ALA 29 - HB2 SER 33 far 0 67 0 - 7.4-10.4 HA GLN 27 - HB2 SER 33 far 0 69 0 - 8.4-15.9 HA ALA 28 - HB2 SER 33 far 0 72 0 - 8.9-14.2 HB3 SER 38 - HB2 SER 33 far 0 48 0 - 9.3-12.3 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 5 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 - 3.8-5.0 HA VAL 20 - HB2 SER 33 far 0 57 0 - 8.3-23.6 HA GLN 68 - HB2 SER 33 far 0 35 0 - 8.5-11.9 HB3 SER 99 - HB2 SER 94 far 0 71 0 - 9.6-12.9 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 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2947 from aliabs.peaks (3.90, 3.97, 63.10 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 94 + HB3 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 70 - HB3 SER 94 far 0 87 0 - 7.9-10.8 Violated in 0 structures by 0.00 A. Peak 2948 from aliabs.peaks (3.97, 3.97, 63.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 94 + HB3 SER 94 OK 100 100 - 100 Peak 2949 from aliabs.peaks (7.70, 3.97, 63.10 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 100 100 2.7-4.0 4.4=100 H GLN 101 - HB3 SER 94 far 0 93 0 - 9.7-11.2 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 2.8-2.9 2.9=100 H GLN 101 - HA LYS 95 far 0 93 0 - 7.4-8.4 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 4 assignments used, quality = 1.00: * HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 93 0 - 8.5-10.4 HB2 ARG 90 - HA LYS 95 far 0 73 0 - 8.6-10.8 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 4 assignments used, quality = 1.00: * HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 97 0 - 8.5-10.4 HB2 ARG 90 - HA LYS 95 far 0 65 0 - 8.6-10.8 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 5 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-3.6 3.9=100 HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HB2 LEU 96 - HA LYS 95 far 0 99 0 - 5.5-6.5 HG LEU 96 - HA LYS 95 far 0 98 0 - 6.0-6.6 HB3 LEU 100 - HA LYS 95 far 0 92 0 - 7.6-10.1 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 5 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-3.6 3.9=100 HB2 LEU 96 - HA LYS 95 far 0 100 0 - 5.5-6.5 HG LEU 96 - HA LYS 95 far 0 96 0 - 6.0-6.6 HB3 LEU 100 - HA LYS 95 far 0 96 0 - 7.6-10.1 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 2.3-4.7 5.0=71, 7303/2.9=36...(29) HD3 LYS 95 + HA LYS 95 OK 99 100 100 100 2.3-4.7 5.0=71, 7304/2.9=36...(29) HB2 LEU 98 + HA LYS 95 OK 99 99 100 100 2.4-5.1 3158=98, 1.8/2963=89...(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 2.3-4.7 5.0=71, 7304/2.9=36...(29) HD2 LYS 95 + HA LYS 95 OK 99 100 100 100 2.3-4.7 5.0=71, 7303/2.9=36...(29) HB2 LEU 98 + HA LYS 95 OK 95 95 100 100 2.4-5.1 3158=91, 1.8/2963=88...(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 4.4-5.7 6.4=58, 1.8/3044=46...(23) HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.9 6.4=58, 1.8/3033=48...(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: * HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.9 6.4=59, 1.8/3033=48...(23) HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 4.4-5.7 6.4=59, 1.8/3044=46...(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 4.1-5.3 4.6/3158=53, 4.6/2963=51...(17) H VAL 126 - HA LYS 95 far 0 100 0 - 8.4-9.6 H LEU 123 - HA LYS 95 far 0 99 0 - 9.7-11.5 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=85...(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: HD2 LYS 95 + HA LYS 95 OK 98 99 100 99 2.3-4.7 5.0=56, 7303/2.9=31...(29) * HB2 LEU 98 + HA LYS 95 OK 95 100 95 100 2.4-5.1 3158=100, 1.8/2963=80...(15) HD3 LYS 95 + HA LYS 95 OK 94 95 100 99 2.3-4.7 5.0=56, 7303/2.9=31...(29) Violated in 0 structures by 0.00 A. Peak 2963 from aliabs.peaks (1.78, 4.02, 59.53 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 98 + HA LYS 95 OK 100 100 100 100 2.9-4.4 1.8/3158=86...(21) HB3 LEU 122 - HA LYS 95 far 0 99 0 - 7.0-11.0 HG LEU 100 - HA LYS 95 far 0 97 0 - 8.0-10.6 Violated in 2 structures by 0.01 A. Peak 2964 from aliabs.peaks (4.05, 1.94, 32.11 ppm; 4.40 A): 5 out of 8 assignments used, quality = 1.00: * HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.5-3.6 2.1/9948=54, 2895=50...(18) HA ALA 92 + HB3 LYS 95 OK 99 100 100 100 3.8-4.8 ~9948=62, 2895=50...(16) HA LEU 96 + HB2 LYS 95 OK 94 100 100 94 4.0-4.8 2.9/7316=32...(27) HA LEU 96 + HB3 LYS 95 OK 93 100 100 93 4.0-4.9 2.9/7316=32, ~7316=22...(28) HD3 PRO 81 + HB3 PRO 81 OK 40 40 100 100 3.9-4.0 3.0=100 HA LEU 122 - HB3 LYS 95 poor 18 91 20 - 5.1-7.2 HA LEU 122 - HB2 LYS 95 far 0 92 0 - 5.9-7.9 HB THR 65 - HB2 PRO 58 far 0 81 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2965 from aliabs.peaks (7.70, 1.94, 32.11 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-2.9 4.0=100 H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.5-3.6 4.0=100 H GLN 101 - HB3 LYS 95 far 0 92 0 - 8.6-10.0 H GLN 101 - HB2 LYS 95 far 0 93 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2966 from aliabs.peaks (4.02, 1.94, 32.11 ppm; 4.16 A): 6 out of 13 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HA SER 60 + HB2 PRO 58 OK 56 74 80 95 4.8-5.1 2.8/9332=42, ~10975=41...(12) HA LEU 96 + HB2 LYS 95 OK 53 60 100 89 4.0-4.8 2.9/7316=29...(25) HA LEU 96 + HB3 LYS 95 OK 52 59 100 88 4.0-4.9 2.9/7316=29, ~7316=20...(28) HD3 PRO 81 + HB3 PRO 81 OK 47 47 100 100 3.9-4.0 3.0=100 HB3 SER 99 - HB3 LYS 95 far 3 64 5 - 4.8-8.2 HA LEU 122 - HB3 LYS 95 far 0 91 0 - 5.1-7.2 HA LEU 122 - HB2 LYS 95 far 0 92 0 - 5.9-7.9 HB3 SER 99 - HB2 LYS 95 far 0 65 0 - 6.1-9.5 HA ARG 135 - HB3 PRO 81 far 0 50 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 95 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 96 0 - 8.3-10.6 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 16 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 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 39 99 45 88 4.7-5.8 3.2/11443=30...(24) HB2 LEU 96 - HB3 LYS 95 poor 20 98 20 - 5.1-6.4 QB ALA 110 - HB2 PRO 58 poor 15 84 25 72 2.7-11.2 10930/1.8=55...(3) QB ALA 108 - HB2 PRO 58 far 4 82 5 - 4.9-11.2 HG LEU 96 - HB2 LYS 95 far 0 98 0 - 5.7-6.8 QB ALA 109 - HB2 PRO 58 far 0 86 0 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 97 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 78 0 - 7.7-44.7 HG2 LYS 86 - HB3 PRO 81 far 0 31 0 - 8.1-9.2 HB3 LEU 100 - HB3 LYS 95 far 0 91 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 92 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 83 0 - 9.8-40.0 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 16 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 39 100 45 88 4.7-5.8 3.2/11443=29...(24) HB2 LEU 96 - HB3 LYS 95 poor 20 99 20 - 5.1-6.4 QB ALA 110 - HB2 PRO 58 poor 15 86 25 72 2.7-11.2 10930/1.8=55...(3) QB ALA 108 - HB2 PRO 58 far 4 84 5 - 4.9-11.2 HG LEU 96 - HB2 LYS 95 far 0 96 0 - 5.7-6.8 QB ALA 109 - HB2 PRO 58 far 0 86 0 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 95 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 82 0 - 7.7-44.7 HG2 LYS 86 - HB3 PRO 81 far 0 26 0 - 8.1-9.2 HB3 LEU 100 - HB3 LYS 95 far 0 95 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 96 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 85 0 - 9.8-40.0 Violated in 0 structures by 0.00 A. Peak 2971 from aliabs.peaks (1.65, 1.94, 32.11 ppm; 4.22 A): 5 out of 20 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HD2 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 2.2-3.9 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 99 99 100 100 3.1-4.1 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 29 98 30 100 4.2-7.2 3158/3.0=66, ~2963=43...(23) HB2 LEU 98 - HB2 LYS 95 far 0 99 0 - 5.1-7.8 HG LEU 62 - HB2 PRO 58 far 0 82 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 41 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 31 0 - 6.8-13.6 HD3 LYS 24 - HB2 PRO 58 far 0 86 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 83 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 52 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 98 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 52 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 45 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 97 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 47 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 49 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 99 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 100 0 - 9.9-13.5 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 20 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 28 94 30 100 4.2-7.2 3158/3.0=62, ~2963=43...(23) HB2 LEU 98 - HB2 LYS 95 far 0 95 0 - 5.1-7.8 HG LEU 62 - HB2 PRO 58 far 0 76 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 35 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 37 0 - 6.8-13.6 HD3 LYS 24 - HB2 PRO 58 far 0 84 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 86 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 52 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 51 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 39 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 99 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 42 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 52 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 98 0 - 9.9-13.5 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 3.5-5.5 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 78 85 100 92 4.3-5.9 6718/4.3=78, 4.5/9332=50...(5) HB2 ASN 116 - HB2 PRO 58 far 0 65 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 2974 from aliabs.peaks (2.87, 1.94, 32.11 ppm; 5.33 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 77 84 100 92 4.3-5.9 6718/4.3=78, 4.5/9332=50...(5) HB2 ASN 116 - HB2 PRO 58 far 0 69 0 - 9.3-13.2 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 9 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.6-3.1 4.6=100 H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.0 4.6=100 H SER 99 + HB3 LYS 95 OK 34 89 60 64 4.8-6.1 2960/3.0=33...(11) H SER 99 - HB2 LYS 95 far 0 90 0 - 6.1-7.1 H VAL 126 - HB2 LYS 95 far 0 100 0 - 6.4-8.0 H VAL 126 - HB3 LYS 95 far 0 99 0 - 6.9-7.9 H LEU 123 - HB3 LYS 95 far 0 98 0 - 8.3-9.8 H LEU 123 - HB2 LYS 95 far 0 99 0 - 8.7-10.7 H GLU 40 - HB3 PRO 81 far 0 47 0 - 9.6-15.9 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 9 assignments used, quality = 1.00: * HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 3.8-4.8 ~9948=62, 2896=50...(16) HA ALA 92 + HB2 LYS 95 OK 99 100 100 100 2.5-3.6 2.1/9948=63, 2896=50...(18) HA LEU 96 + HB2 LYS 95 OK 94 100 100 94 4.0-4.8 2.9/7317=32...(27) HA LEU 96 + HB3 LYS 95 OK 93 100 100 93 4.0-4.9 2.9/7317=32, ~7316=22...(28) HD3 PRO 81 + HB3 PRO 81 OK 47 47 100 100 3.9-4.0 3.0=100 HA LEU 122 - HB3 LYS 95 poor 18 92 20 - 5.1-7.2 HA LEU 122 - HB2 LYS 95 far 0 91 0 - 5.9-7.9 HD3 PRO 81 - HB3 LYS 86 far 0 27 0 - 6.6-9.4 HB THR 65 - HB2 PRO 58 far 0 88 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2977 from aliabs.peaks (7.70, 1.94, 32.11 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.5-3.6 4.0=100 H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-2.9 4.0=100 H GLN 101 - HB3 LYS 95 far 0 93 0 - 8.6-10.0 H GLN 101 - HB2 LYS 95 far 0 92 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2978 from aliabs.peaks (4.02, 1.94, 32.11 ppm; 4.17 A): 6 out of 14 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 60 + HB2 PRO 58 OK 66 82 85 96 4.8-5.1 2.8/9332=45, ~10975=41...(12) HD3 PRO 81 + HB3 PRO 81 OK 54 54 100 100 3.9-4.0 3.0=100 HA LEU 96 + HB3 LYS 95 OK 53 60 100 88 4.0-4.9 2.9/7317=29, ~7316=20...(28) HA LEU 96 + HB2 LYS 95 OK 53 59 100 89 4.0-4.8 2.9/7317=29...(25) HB3 SER 99 - HB3 LYS 95 far 3 65 5 - 4.8-8.2 HA LEU 122 - HB3 LYS 95 far 0 92 0 - 5.1-7.2 HA LEU 122 - HB2 LYS 95 far 0 91 0 - 5.9-7.9 HB3 SER 99 - HB2 LYS 95 far 0 64 0 - 6.1-9.5 HD3 PRO 81 - HB3 LYS 86 far 0 32 0 - 6.6-9.4 HA ARG 135 - HB3 PRO 81 far 0 59 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 96 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 95 0 - 8.3-10.6 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): 6 out of 17 assignments used, quality = 1.00: * HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 39 98 45 88 4.7-5.8 3.2/11443=29...(24) HG2 LYS 86 + HB3 LYS 86 OK 20 20 100 100 2.8-3.0 3.0=100 HB2 LEU 96 - HB3 LYS 95 poor 20 99 20 - 5.1-6.4 QB ALA 110 - HB2 PRO 58 poor 16 92 25 72 2.7-11.2 10930/1.8=55...(3) QB ALA 108 - HB2 PRO 58 far 4 89 5 - 4.9-11.2 HG LEU 96 - HB2 LYS 95 far 0 97 0 - 5.7-6.8 QB ALA 109 - HB2 PRO 58 far 0 93 0 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 98 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 86 0 - 7.7-44.7 HG2 LYS 86 - HB3 PRO 81 far 0 36 0 - 8.1-9.2 HB3 LEU 100 - HB3 LYS 95 far 0 92 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 91 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 91 0 - 9.8-40.0 Violated in 0 structures by 0.00 A. Peak 2982 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.54 A): 5 out of 16 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 2.5-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 39 99 45 88 4.7-5.8 3.2/11443=29...(24) HB2 LEU 96 - HB3 LYS 95 poor 20 100 20 - 5.1-6.4 QB ALA 110 - HB2 PRO 58 poor 17 93 25 73 2.7-11.2 10930/1.8=56...(3) QB ALA 108 - HB2 PRO 58 far 5 92 5 - 4.9-11.2 HG LEU 96 - HB2 LYS 95 far 0 95 0 - 5.7-6.8 QB ALA 109 - HB2 PRO 58 far 0 93 0 - 5.7-10.5 HG LEU 96 - HB3 LYS 95 far 0 96 0 - 6.4-7.2 HG2 LYS 24 - HB2 PRO 58 far 0 89 0 - 7.7-44.7 HG2 LYS 86 - HB3 PRO 81 far 0 31 0 - 8.1-9.2 HB3 LEU 100 - HB3 LYS 95 far 0 96 0 - 8.3-11.2 HB3 LEU 100 - HB2 LYS 95 far 0 95 0 - 8.8-11.7 QB ALA 15 - HB2 PRO 58 far 0 92 0 - 9.8-40.0 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 25 assignments used, quality = 1.00: * HD2 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 2.1-3.6 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.2-3.9 3.7=100 HD3 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.6-3.8 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.5-4.0 3.5=100 HB2 LEU 98 + HB3 LYS 95 OK 29 99 30 100 4.2-7.2 3158/3.0=67, ~2963=43...(23) HB2 LEU 98 - HB2 LYS 95 far 5 98 5 - 5.1-7.8 QB ALA 88 - HB3 LYS 86 far 0 34 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 28 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 89 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 48 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 36 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 30 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 93 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 91 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 61 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 97 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 61 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 52 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 98 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 55 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 57 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 100 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 99 0 - 9.9-13.5 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 25 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.1-3.6 3.7=100 HD2 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.5-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 35 35 100 100 2.6-3.8 3.5=100 HB2 LEU 98 + HB3 LYS 95 OK 28 95 30 100 4.2-7.2 3158/3.0=62, ~2963=43...(23) HB2 LEU 98 - HB2 LYS 95 far 5 94 5 - 5.1-7.8 QB ALA 88 - HB3 LYS 86 far 0 36 0 - 6.1-6.8 HG2 ARG 84 - HB3 LYS 86 far 0 23 0 - 6.2-8.3 HG LEU 62 - HB2 PRO 58 far 0 83 0 - 6.2-6.8 HG2 ARG 84 - HB3 PRO 81 far 0 41 0 - 6.7-11.5 HD2 LYS 39 - HB3 PRO 81 far 0 44 0 - 6.8-13.6 HG3 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.9-8.4 HD3 LYS 24 - HB2 PRO 58 far 0 92 0 - 7.0-45.3 HD2 LYS 24 - HB2 PRO 58 far 0 93 0 - 7.1-46.6 HD2 LYS 86 - HB3 PRO 81 far 0 60 0 - 7.2-10.4 QB ALA 88 - HB2 LYS 95 far 0 99 0 - 7.7-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 59 0 - 7.8-10.4 HG3 ARG 84 - HB3 PRO 81 far 0 45 0 - 7.9-11.4 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 9.0-10.6 HG LEU 43 - HB3 PRO 81 far 0 49 0 - 9.4-16.0 QB ALA 88 - HB3 PRO 81 far 0 60 0 - 9.6-11.7 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 9.7-11.5 HB2 LEU 69 - HB2 LYS 95 far 0 97 0 - 9.9-13.5 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 4.5-5.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 86 92 100 92 4.3-5.9 6718/4.3=78, 4.5/9332=54...(5) HB2 ASN 116 - HB2 PRO 58 far 0 72 0 - 9.3-13.2 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 3.4-5.5 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 85 92 100 92 4.3-5.9 6718/4.3=78, 4.5/9332=54...(5) HB2 ASN 116 - HB2 PRO 58 far 0 76 0 - 9.3-13.2 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 9 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.0 4.6=100 H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.6-3.1 4.6=100 H SER 99 + HB3 LYS 95 OK 35 90 60 64 4.8-6.1 2960/3.0=33...(11) H SER 99 - HB2 LYS 95 far 0 89 0 - 6.1-7.1 H VAL 126 - HB2 LYS 95 far 0 99 0 - 6.4-8.0 H VAL 126 - HB3 LYS 95 far 0 100 0 - 6.9-7.9 H LEU 123 - HB3 LYS 95 far 0 99 0 - 8.3-9.8 H LEU 123 - HB2 LYS 95 far 0 98 0 - 8.7-10.7 H GLU 40 - HB3 PRO 81 far 0 54 0 - 9.6-15.9 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 2.9-3.6 3.9=100 HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HA LEU 96 - HG2 LYS 95 far 0 60 0 - 5.9-6.6 HB3 SER 99 - HG3 LYS 95 far 0 64 0 - 6.0-10.4 HA LEU 96 - HG3 LYS 95 far 0 59 0 - 6.1-6.5 HB3 SER 99 - HG2 LYS 95 far 0 65 0 - 6.9-10.5 HA LEU 122 - HG3 LYS 95 far 0 91 0 - 7.3-9.4 HA LEU 122 - HG2 LYS 95 far 0 92 0 - 7.3-9.5 HB3 SER 124 - HG2 LYS 95 far 0 96 0 - 9.1-11.3 HB3 SER 124 - HG3 LYS 95 far 0 95 0 - 9.4-11.8 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 8 assignments used, quality = 1.00: * HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 72 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 92 0 - 8.7-10.7 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 8 assignments used, quality = 1.00: * HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 97 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 64 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 96 0 - 8.7-10.7 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 2.4-3.0 2.9=100 HD2 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 2.3-3.0 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 21 98 30 72 4.1-8.3 3158/3.9=49, ~11442=12...(12) HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 98 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 97 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 2995 from aliabs.peaks (1.66, 1.39, 25.38 ppm; 4.00 A): 4 out of 8 assignments used, quality = 1.00: * HD3 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 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 20 94 30 71 4.1-8.3 3158/3.9=45, ~11442=12...(12) HB2 LEU 98 - HG2 LYS 95 far 0 95 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 8.3-10.7 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 2.5-3.8 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 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 2.2-3.9 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 3000 from aliabs.peaks (4.02, 1.39, 25.38 ppm; 4.16 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.9 3.9=100 HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.9-3.6 3.9=100 HA LEU 96 - HG2 LYS 95 far 0 59 0 - 5.9-6.6 HB3 SER 99 - HG3 LYS 95 far 0 65 0 - 6.0-10.4 HA LEU 96 - HG3 LYS 95 far 0 60 0 - 6.1-6.5 HB3 SER 99 - HG2 LYS 95 far 0 64 0 - 6.9-10.5 HA LEU 122 - HG3 LYS 95 far 0 92 0 - 7.3-9.4 HA LEU 122 - HG2 LYS 95 far 0 91 0 - 7.3-9.5 HB3 SER 124 - HG2 LYS 95 far 0 95 0 - 9.1-11.3 HB3 SER 124 - HG3 LYS 95 far 0 96 0 - 9.4-11.8 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 8 assignments used, quality = 1.00: * HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 92 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 72 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 8.7-10.7 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 8 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 2.5-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 95 far 0 96 0 - 7.3-10.8 HB2 ARG 90 - HG2 LYS 95 far 0 64 0 - 8.0-11.1 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 8.2-11.2 HB3 ARG 90 - HG3 LYS 95 far 0 97 0 - 8.7-10.7 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 2.2-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 21 99 30 71 4.1-8.3 3158/3.9=47, ~11442=11...(12) HB2 LEU 98 - HG2 LYS 95 far 0 98 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 97 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 98 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 3006 from aliabs.peaks (1.66, 1.39, 25.38 ppm; 3.94 A): 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 2.3-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.4-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 20 95 30 69 4.1-8.3 3158/3.9=44, ~11442=12...(12) HB2 LEU 98 - HG2 LYS 95 far 0 94 0 - 5.6-8.3 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 8.0-10.2 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 8.3-10.7 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 2.2-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 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 2.1-3.8 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 3011 from aliabs.peaks (4.02, 1.65, 28.97 ppm; 4.03 A): 4 out of 23 assignments used, quality = 1.00: * HA LYS 95 + HD2 LYS 95 OK 99 100 100 99 2.3-4.7 5.0=52, 2.9/7303=30...(29) HA LYS 95 + HD3 LYS 95 OK 98 99 100 99 2.3-4.7 5.0=52, 2.9/7303=30...(29) HA ILE 37 + HD3 LYS 36 OK 77 82 95 99 2.3-5.2 10817/3.0=42...(25) HA ILE 37 + HD2 LYS 36 OK 71 80 90 99 3.6-6.1 10817/3.0=42...(26) HB2 SER 38 - HD3 LYS 36 far 0 60 0 - 5.9-9.2 HA LEU 96 - HD2 LYS 95 far 0 60 0 - 6.5-7.8 HA LEU 96 - HD3 LYS 95 far 0 57 0 - 6.5-7.6 HA GLN 68 - HD2 LYS 36 far 0 56 0 - 6.8-10.7 HB2 SER 38 - HD2 LYS 36 far 0 58 0 - 7.2-10.5 HA GLN 68 - HD3 LYS 36 far 0 58 0 - 7.4-10.2 HB3 SER 99 - HD2 LYS 95 far 0 65 0 - 7.5-11.3 HB3 SER 99 - HD3 LYS 95 far 0 63 0 - 7.6-10.9 HA LEU 122 - HD2 LYS 95 far 0 92 0 - 7.8-10.4 HA LEU 122 - HD3 LYS 95 far 0 89 0 - 7.9-10.6 HB3 SER 124 - HD2 LYS 95 far 0 96 0 - 9.0-13.6 HA ILE 37 - HD3 LYS 26 far 0 94 0 - 9.4-25.1 HA GLN 68 - HD2 LYS 26 far 0 74 0 - 9.7-31.1 HA SER 60 - HD2 LYS 24 far 0 71 0 - 9.7-42.7 HB3 SER 124 - HD3 LYS 95 far 0 93 0 - 9.7-13.5 HA GLN 68 - HD3 LYS 26 far 0 69 0 - 9.8-30.0 HA GLN 68 - HD2 LYS 24 far 0 58 0 - 9.8-32.1 HA GLU 44 - HD3 LYS 26 far 0 80 0 - 9.9-36.1 HA SER 60 - HD3 LYS 24 far 0 76 0 - 9.9-41.5 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 32 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.9 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 3.1-4.1 3.7=100 HB2 GLN 27 - HD3 LYS 31 far 6 60 10 - 4.4-12.9 HB2 GLU 30 - HD2 LYS 26 far 5 98 5 - 3.8-14.5 HB2 GLU 30 - HD3 LYS 26 far 5 94 5 - 4.4-13.4 HB2 GLU 30 - HD2 LYS 19 far 4 74 5 - 3.6-19.7 HB2 GLN 27 - HD2 LYS 31 far 3 61 5 - 4.7-13.9 HB2 GLN 27 - HD2 LYS 26 far 3 59 5 - 5.0-8.5 HB2 GLU 30 - HD3 LYS 19 far 0 72 0 - 5.2-20.2 HB2 GLU 30 - HD3 LYS 31 far 0 99 0 - 5.6-9.3 HB2 GLN 27 - HD3 LYS 26 far 0 55 0 - 5.6-8.4 HB2 GLU 30 - HD2 LYS 31 far 0 100 0 - 6.0-8.3 HB2 MET 11 - HD3 LYS 26 far 0 76 0 - 6.3-36.1 HB2 ARG 90 - HD2 LYS 95 far 0 73 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 93 0 - 6.4-10.2 HB2 GLN 27 - HD2 LYS 19 far 0 39 0 - 6.7-18.6 HB3 ARG 90 - HD3 LYS 95 far 0 91 0 - 6.7-9.9 HB2 GLU 30 - HD3 LYS 24 far 0 88 0 - 6.8-17.7 HB2 ARG 90 - HD3 LYS 95 far 0 70 0 - 6.9-10.1 HB2 PRO 58 - HD3 LYS 24 far 0 81 0 - 7.0-45.3 HB2 MET 11 - HD2 LYS 24 far 0 64 0 - 7.1-31.6 HB2 PRO 58 - HD2 LYS 24 far 0 75 0 - 7.1-46.6 HB2 MET 11 - HD2 LYS 26 far 0 80 0 - 7.2-36.4 HB2 GLN 27 - HD3 LYS 19 far 0 38 0 - 7.5-19.7 HB2 MET 11 - HD3 LYS 24 far 0 69 0 - 7.7-31.1 HB2 GLU 30 - HD2 LYS 24 far 0 82 0 - 8.3-18.7 HB2 MET 11 - HD2 LYS 19 far 0 56 0 - 8.4-20.9 HB2 MET 11 - HD3 LYS 19 far 0 54 0 - 8.7-21.0 HB2 GLN 27 - HD3 LYS 24 far 0 49 0 - 9.5-14.1 HB2 GLU 30 - HD2 LYS 36 far 0 81 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 3013 from aliabs.peaks (1.94, 1.65, 28.97 ppm; 4.21 A): 5 out of 38 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-3.6 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 3.1-4.1 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.9 3.7=100 HB ILE 37 + HD3 LYS 36 OK 38 43 90 99 4.5-5.6 2.1/10818=43, ~10820=42...(22) HB2 GLN 27 - HD3 LYS 31 far 7 68 10 - 4.4-12.9 HB2 GLU 30 - HD2 LYS 26 far 5 98 5 - 3.8-14.5 HB2 GLU 30 - HD3 LYS 26 far 5 94 5 - 4.4-13.4 HB ILE 37 - HD2 LYS 36 far 4 42 10 - 5.0-7.0 HB2 GLU 30 - HD2 LYS 19 far 4 74 5 - 3.6-19.7 HB2 GLN 27 - HD2 LYS 31 far 3 69 5 - 4.7-13.9 HB2 GLN 27 - HD2 LYS 26 far 3 67 5 - 5.0-8.5 HB2 GLU 30 - HD3 LYS 19 far 0 72 0 - 5.2-20.2 HB2 GLU 30 - HD3 LYS 31 far 0 99 0 - 5.6-9.3 HB2 GLN 27 - HD3 LYS 26 far 0 62 0 - 5.6-8.4 HB2 GLU 30 - HD2 LYS 31 far 0 100 0 - 6.0-8.3 HB2 MET 11 - HD3 LYS 26 far 0 69 0 - 6.3-36.1 HB2 ARG 90 - HD2 LYS 95 far 0 65 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 97 0 - 6.4-10.2 HB2 GLN 27 - HD2 LYS 19 far 0 45 0 - 6.7-18.6 HB3 ARG 90 - HD3 LYS 95 far 0 94 0 - 6.7-9.9 HB2 GLU 30 - HD3 LYS 24 far 0 88 0 - 6.8-17.7 HB2 ARG 90 - HD3 LYS 95 far 0 63 0 - 6.9-10.1 HB2 PRO 58 - HD3 LYS 24 far 0 84 0 - 7.0-45.3 HB2 MET 11 - HD2 LYS 24 far 0 58 0 - 7.1-31.6 HB2 PRO 58 - HD2 LYS 24 far 0 78 0 - 7.1-46.6 HB2 MET 11 - HD2 LYS 26 far 0 74 0 - 7.2-36.4 HB2 GLN 27 - HD3 LYS 19 far 0 43 0 - 7.5-19.7 HB2 MET 11 - HD3 LYS 24 far 0 63 0 - 7.7-31.1 HB2 GLU 30 - HD2 LYS 24 far 0 82 0 - 8.3-18.7 HB2 MET 11 - HD2 LYS 19 far 0 51 0 - 8.4-20.9 HB2 MET 11 - HD3 LYS 19 far 0 49 0 - 8.7-21.0 HB ILE 37 - HD3 LYS 26 far 0 52 0 - 8.8-24.8 HB2 GLN 27 - HD3 LYS 24 far 0 56 0 - 9.5-14.1 HB ILE 37 - HD3 LYS 19 far 0 36 0 - 9.6-30.5 HB ILE 37 - HD2 LYS 19 far 0 37 0 - 9.7-29.8 HB ILE 37 - HD2 LYS 26 far 0 56 0 - 9.8-25.8 HB2 GLU 30 - HD2 LYS 36 far 0 81 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 3014 from aliabs.peaks (1.39, 1.65, 28.97 ppm; 4.91 A): 15 out of 105 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 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 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 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 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 79 79 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 77 77 100 100 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 HG2 LYS 19 + HD2 LYS 19 OK 58 58 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 56 56 100 100 2.3-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 21 48 70 63 5.2-6.9 5.0/10775=28...(6) QB ALA 34 - HD3 LYS 36 poor 20 49 40 - 4.6-6.4 QB ALA 28 - HD2 LYS 26 poor 19 97 20 - 4.6-9.5 QB ALA 15 - HD3 LYS 19 poor 17 69 25 - 3.1-10.4 QB ALA 34 - HD2 LYS 26 poor 16 64 25 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 poor 15 60 25 - 2.0-17.7 QB ALA 15 - HD2 LYS 19 poor 14 72 20 - 2.2-10.6 QB ALA 28 - HD3 LYS 26 far 14 94 15 - 5.0-9.6 QB ALA 29 - HD3 LYS 26 far 13 90 15 - 4.6-11.8 QB ALA 29 - HD2 LYS 26 poor 13 94 30 46 4.1-12.5 10790/10833=34...(5) HG3 LYS 31 - HD2 LYS 26 far 10 98 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.1-16.0 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 2.7-21.0 QB ALA 16 - HD3 LYS 31 far 5 98 5 - 4.1-20.4 QB ALA 15 - HD2 LYS 31 far 5 98 5 - 3.7-21.3 QB ALA 28 - HD3 LYS 31 far 5 98 5 - 5.4-10.1 QB ALA 15 - HD3 LYS 31 far 5 97 5 - 5.0-22.0 QB ALA 29 - HD2 LYS 31 far 5 96 5 - 5.8-10.1 HG2 LYS 24 - HD3 LYS 31 far 5 93 5 - 5.8-21.8 HG2 LYS 24 - HD2 LYS 26 far 5 92 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 26 far 4 87 5 - 5.1-12.5 HG2 LYS 19 - HD3 LYS 31 far 4 84 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 4 75 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 4 73 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 71 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 19 lone 4 74 55 8 2.3-9.2 7141/6.2=3 QB ALA 16 - HD3 LYS 19 lone 3 71 60 8 2.4-9.7 7141/6.2=3 QB ALA 34 - HD3 LYS 24 far 3 54 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 2 43 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 2 41 5 - 5.2-22.3 QB ALA 12 - HD3 LYS 19 far 0 36 0 - 5.9-15.4 QB ALA 34 - HD2 LYS 24 far 0 49 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 37 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 86 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 99 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 87 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 82 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 78 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 95 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 77 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 67 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 82 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 80 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 83 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 74 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 97 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 96 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 96 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 97 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 98 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 88 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 69 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 81 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 67 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 77 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 91 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 71 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 78 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 71 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 98 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 57 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 80 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 96 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 67 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 69 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 52 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 82 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 86 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 80 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 94 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 82 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 80 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 59 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 80 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 65 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 98 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 80 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 64 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 56 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 82 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 69 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 88 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 92 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 71 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 82 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 86 0 - 10.0-20.6 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 105 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 97 97 100 100 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 79 79 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 63 63 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 60 60 100 100 2.3-3.0 3.0=100 QB ALA 28 - HD2 LYS 26 poor 20 98 20 - 4.6-9.5 QB ALA 34 - HD2 LYS 36 poor 18 42 70 61 5.2-6.9 5.0/10775=28...(6) QB ALA 15 - HD3 LYS 19 poor 18 71 25 - 3.1-10.4 QB ALA 34 - HD3 LYS 36 poor 15 43 35 - 4.6-6.4 QB ALA 15 - HD2 LYS 19 poor 15 73 20 - 2.2-10.6 QB ALA 28 - HD3 LYS 26 far 14 94 15 - 5.0-9.6 QB ALA 34 - HD2 LYS 26 poor 14 56 25 - 3.3-18.8 QB ALA 29 - HD3 LYS 26 far 14 92 15 - 4.6-11.8 QB ALA 34 - HD3 LYS 26 poor 13 52 25 - 2.0-17.7 QB ALA 29 - HD2 LYS 26 poor 11 96 25 47 4.1-12.5 10790/10833=35...(5) HG3 LYS 31 - HD2 LYS 26 far 10 98 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.1-16.0 QB ALA 15 - HD2 LYS 31 far 5 99 5 - 3.7-21.3 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 2.7-21.0 QB ALA 28 - HD3 LYS 31 far 5 99 5 - 5.4-10.1 QB ALA 15 - HD3 LYS 31 far 5 98 5 - 5.0-22.0 QB ALA 16 - HD3 LYS 31 far 5 97 5 - 4.1-20.4 HG2 LYS 24 - HD2 LYS 26 far 5 95 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 26 far 5 91 5 - 5.1-12.5 HG2 LYS 19 - HD3 LYS 31 far 4 89 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 4 78 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 4 74 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 4 72 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 19 lone 3 72 55 8 2.3-9.2 7141/6.2=3 QB ALA 16 - HD3 LYS 19 lone 3 70 60 8 2.4-9.7 7141/6.2=3 QB ALA 34 - HD3 LYS 24 far 2 47 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 2 37 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 2 36 5 - 5.2-22.3 HG2 LYS 24 - HD3 LYS 31 far 0 96 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 98 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 41 0 - 5.9-15.4 QB ALA 34 - HD2 LYS 24 far 0 43 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 43 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 87 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 100 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 88 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 88 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 83 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 97 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 80 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 59 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 82 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 82 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 86 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 74 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 93 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 98 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 96 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 88 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 99 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 72 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 82 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 70 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 80 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 93 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 75 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 80 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 72 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 65 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 81 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 98 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 69 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 73 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 60 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 83 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 88 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 79 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 93 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 81 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 82 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 82 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 71 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 97 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 81 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 68 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 64 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 81 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 71 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 86 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 94 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 76 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 83 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 87 0 - 10.0-20.6 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 2.4-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 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 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3022 from aliabs.peaks (4.02, 1.66, 28.97 ppm; 4.03 A): 4 out of 23 assignments used, quality = 1.00: * HA LYS 95 + HD3 LYS 95 OK 99 100 100 99 2.3-4.7 5.0=52, 2.9/7304=30...(29) HA LYS 95 + HD2 LYS 95 OK 98 99 100 99 2.3-4.7 5.0=52, 2.9/7304=30...(29) HA ILE 37 + HD3 LYS 36 OK 82 87 95 99 2.3-5.2 10817/3.0=42...(25) HA ILE 37 + HD2 LYS 36 OK 77 86 90 99 3.6-6.1 10817/3.0=42...(26) HB2 SER 38 - HD3 LYS 36 far 0 65 0 - 5.9-9.2 HA LEU 96 - HD2 LYS 95 far 0 57 0 - 6.5-7.8 HA LEU 96 - HD3 LYS 95 far 0 60 0 - 6.5-7.6 HA GLN 68 - HD2 LYS 36 far 0 62 0 - 6.8-10.7 HB2 SER 38 - HD2 LYS 36 far 0 64 0 - 7.2-10.5 HA GLN 68 - HD3 LYS 36 far 0 63 0 - 7.4-10.2 HB3 SER 99 - HD2 LYS 95 far 0 63 0 - 7.5-11.3 HB3 SER 99 - HD3 LYS 95 far 0 65 0 - 7.6-10.9 HA LEU 122 - HD2 LYS 95 far 0 89 0 - 7.8-10.4 HA LEU 122 - HD3 LYS 95 far 0 92 0 - 7.9-10.6 HB3 SER 124 - HD2 LYS 95 far 0 93 0 - 9.0-13.6 HA ILE 37 - HD3 LYS 26 far 0 99 0 - 9.4-25.1 HA GLN 68 - HD2 LYS 26 far 0 77 0 - 9.7-31.1 HA SER 60 - HD2 LYS 24 far 0 76 0 - 9.7-42.7 HB3 SER 124 - HD3 LYS 95 far 0 96 0 - 9.7-13.5 HA GLN 68 - HD3 LYS 26 far 0 76 0 - 9.8-30.0 HA GLN 68 - HD2 LYS 24 far 0 63 0 - 9.8-32.1 HA GLU 44 - HD3 LYS 26 far 0 86 0 - 9.9-36.1 HA SER 60 - HD3 LYS 24 far 0 72 0 - 9.9-41.5 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 32 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-3.6 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 GLN 27 - HD3 LYS 31 far 6 61 10 - 4.4-12.9 HB2 GLU 30 - HD2 LYS 26 far 5 100 5 - 3.8-14.5 HB2 GLU 30 - HD3 LYS 26 far 5 99 5 - 4.4-13.4 HB2 GLU 30 - HD2 LYS 19 far 3 66 5 - 3.6-19.7 HB2 GLN 27 - HD2 LYS 26 far 3 61 5 - 5.0-8.5 HB2 GLN 27 - HD2 LYS 31 far 3 60 5 - 4.7-13.9 HB2 GLU 30 - HD3 LYS 19 far 0 62 0 - 5.2-20.2 HB2 GLU 30 - HD3 LYS 31 far 0 100 0 - 5.6-9.3 HB2 GLN 27 - HD3 LYS 26 far 0 61 0 - 5.6-8.4 HB2 GLU 30 - HD2 LYS 31 far 0 99 0 - 6.0-8.3 HB2 MET 11 - HD3 LYS 26 far 0 82 0 - 6.3-36.1 HB2 ARG 90 - HD2 LYS 95 far 0 70 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 91 0 - 6.4-10.2 HB2 GLN 27 - HD2 LYS 19 far 0 35 0 - 6.7-18.6 HB3 ARG 90 - HD3 LYS 95 far 0 93 0 - 6.7-9.9 HB2 GLU 30 - HD3 LYS 24 far 0 84 0 - 6.8-17.7 HB2 ARG 90 - HD3 LYS 95 far 0 73 0 - 6.9-10.1 HB2 PRO 58 - HD3 LYS 24 far 0 76 0 - 7.0-45.3 HB2 MET 11 - HD2 LYS 24 far 0 69 0 - 7.1-31.6 HB2 PRO 58 - HD2 LYS 24 far 0 80 0 - 7.1-46.6 HB2 MET 11 - HD2 LYS 26 far 0 84 0 - 7.2-36.4 HB2 GLN 27 - HD3 LYS 19 far 0 32 0 - 7.5-19.7 HB2 MET 11 - HD3 LYS 24 far 0 65 0 - 7.7-31.1 HB2 GLU 30 - HD2 LYS 24 far 0 88 0 - 8.3-18.7 HB2 MET 11 - HD2 LYS 19 far 0 50 0 - 8.4-20.9 HB2 MET 11 - HD3 LYS 19 far 0 46 0 - 8.7-21.0 HB2 GLN 27 - HD3 LYS 24 far 0 46 0 - 9.5-14.1 HB2 GLU 30 - HD2 LYS 36 far 0 87 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 3024 from aliabs.peaks (1.94, 1.66, 28.97 ppm; 4.22 A): 5 out of 38 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 3.1-4.1 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-3.6 3.7=100 HB ILE 37 + HD3 LYS 36 OK 42 47 90 99 4.5-5.6 2.1/10818=43, ~10820=42...(23) HB2 GLN 27 - HD3 LYS 31 far 7 69 10 - 4.4-12.9 HB2 GLU 30 - HD2 LYS 26 far 5 100 5 - 3.8-14.5 HB2 GLU 30 - HD3 LYS 26 far 5 99 5 - 4.4-13.4 HB ILE 37 - HD2 LYS 36 far 5 46 10 - 5.0-7.0 HB2 GLN 27 - HD2 LYS 26 far 3 69 5 - 5.0-8.5 HB2 GLN 27 - HD2 LYS 31 far 3 68 5 - 4.7-13.9 HB2 GLU 30 - HD2 LYS 19 far 3 66 5 - 3.6-19.7 HB2 GLU 30 - HD3 LYS 19 far 0 62 0 - 5.2-20.2 HB2 GLU 30 - HD3 LYS 31 far 0 100 0 - 5.6-9.3 HB2 GLN 27 - HD3 LYS 26 far 0 68 0 - 5.6-8.4 HB2 GLU 30 - HD2 LYS 31 far 0 99 0 - 6.0-8.3 HB2 MET 11 - HD3 LYS 26 far 0 76 0 - 6.3-36.1 HB2 ARG 90 - HD2 LYS 95 far 0 63 0 - 6.3-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 94 0 - 6.4-10.2 HB2 GLN 27 - HD2 LYS 19 far 0 40 0 - 6.7-18.6 HB3 ARG 90 - HD3 LYS 95 far 0 97 0 - 6.7-9.9 HB2 GLU 30 - HD3 LYS 24 far 0 84 0 - 6.8-17.7 HB2 ARG 90 - HD3 LYS 95 far 0 65 0 - 6.9-10.1 HB2 PRO 58 - HD3 LYS 24 far 0 80 0 - 7.0-45.3 HB2 MET 11 - HD2 LYS 24 far 0 63 0 - 7.1-31.6 HB2 PRO 58 - HD2 LYS 24 far 0 84 0 - 7.1-46.6 HB2 MET 11 - HD2 LYS 26 far 0 77 0 - 7.2-36.4 HB2 GLN 27 - HD3 LYS 19 far 0 37 0 - 7.5-19.7 HB2 MET 11 - HD3 LYS 24 far 0 59 0 - 7.7-31.1 HB2 GLU 30 - HD2 LYS 24 far 0 88 0 - 8.3-18.7 HB2 MET 11 - HD2 LYS 19 far 0 45 0 - 8.4-20.9 HB2 MET 11 - HD3 LYS 19 far 0 42 0 - 8.7-21.0 HB ILE 37 - HD3 LYS 26 far 0 58 0 - 8.8-24.8 HB2 GLN 27 - HD3 LYS 24 far 0 53 0 - 9.5-14.1 HB ILE 37 - HD3 LYS 19 far 0 30 0 - 9.6-30.5 HB ILE 37 - HD2 LYS 19 far 0 33 0 - 9.7-29.8 HB ILE 37 - HD2 LYS 26 far 0 59 0 - 9.8-25.8 HB2 GLU 30 - HD2 LYS 36 far 0 87 0 - 10.0-14.5 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 105 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 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 HG3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.4-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 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 24 + HD3 LYS 24 OK 76 76 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 51 51 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 48 48 100 100 2.3-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 24 53 70 64 5.2-6.9 5.0/10775=29...(6) QB ALA 28 - HD2 LYS 26 poor 20 99 20 - 4.6-9.5 QB ALA 34 - HD2 LYS 26 poor 17 67 25 - 3.3-18.8 QB ALA 34 - HD3 LYS 26 poor 16 66 25 - 2.0-17.7 QB ALA 29 - HD2 LYS 26 poor 15 96 30 53 4.1-12.5 10790/10833=44...(5) QB ALA 15 - HD3 LYS 19 poor 15 60 25 - 3.1-10.4 QB ALA 28 - HD3 LYS 26 far 15 99 15 - 5.0-9.6 QB ALA 29 - HD3 LYS 26 far 14 96 15 - 4.6-11.8 QB ALA 34 - HD3 LYS 36 poor 13 54 40 61 4.6-6.4 10784/10783=26...(7) QB ALA 15 - HD2 LYS 19 poor 13 64 20 - 2.2-10.6 HG3 LYS 31 - HD2 LYS 26 far 10 99 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-16.0 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.1-20.4 QB ALA 28 - HD3 LYS 31 far 5 99 5 - 5.4-10.1 QB ALA 16 - HD2 LYS 31 far 5 98 5 - 2.7-21.0 QB ALA 15 - HD3 LYS 31 far 5 98 5 - 5.0-22.0 QB ALA 15 - HD2 LYS 31 far 5 97 5 - 3.7-21.3 HG2 LYS 24 - HD2 LYS 26 far 5 94 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 31 far 5 94 5 - 5.8-21.8 HG2 LYS 24 - HD3 LYS 26 far 5 94 5 - 5.1-12.5 HG2 LYS 19 - HD3 LYS 31 far 4 85 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 4 82 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 3 66 5 - 3.8-16.2 QB ALA 16 - HD2 LYS 19 lone 3 66 55 8 2.3-9.2 7141/6.2=3 QB ALA 28 - HD3 LYS 19 far 3 61 5 - 4.7-17.0 QB ALA 16 - HD3 LYS 19 lone 3 62 60 8 2.4-9.7 7141/6.2=3 QB ALA 34 - HD3 LYS 24 far 3 51 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 2 38 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 2 35 5 - 5.2-22.3 QB ALA 29 - HD2 LYS 31 far 0 95 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 30 0 - 5.9-15.4 QB ALA 34 - HD2 LYS 24 far 0 54 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 98 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 33 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 81 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 93 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 97 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 83 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 85 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 84 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 96 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 83 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 87 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 85 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 79 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 66 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 67 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 98 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 98 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 99 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 96 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 84 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 97 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 62 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 86 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 59 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 83 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 76 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 85 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 62 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 96 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 59 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 87 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 98 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 57 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 75 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 58 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 87 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 82 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 87 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 99 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 87 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 85 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 57 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 85 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 71 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 99 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 86 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 55 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 59 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 87 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 60 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 84 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 67 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 87 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 81 0 - 10.0-20.6 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 105 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.4-2.9 2.9=100 HG3 LYS 95 + HD2 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 HG3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-2.8 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 86 86 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 56 56 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 52 52 100 100 2.3-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 20 46 70 63 5.2-6.9 5.0/10775=29...(6) QB ALA 28 - HD2 LYS 26 poor 20 100 20 - 4.6-9.5 QB ALA 34 - HD3 LYS 36 poor 16 47 35 - 4.6-6.4 QB ALA 15 - HD3 LYS 19 poor 15 61 25 - 3.1-10.4 QB ALA 28 - HD3 LYS 26 far 15 99 15 - 5.0-9.6 QB ALA 34 - HD2 LYS 26 poor 15 59 25 - 3.3-18.8 QB ALA 29 - HD3 LYS 26 far 15 98 15 - 4.6-11.8 QB ALA 34 - HD3 LYS 26 poor 14 58 25 - 2.0-17.7 QB ALA 29 - HD2 LYS 26 poor 13 98 25 54 4.1-12.5 10790/10833=45...(5) QB ALA 15 - HD2 LYS 19 poor 13 66 20 - 2.2-10.6 HG3 LYS 31 - HD2 LYS 26 far 10 100 10 - 4.8-16.4 HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-16.0 QB ALA 28 - HD3 LYS 31 far 5 100 5 - 5.4-10.1 QB ALA 15 - HD3 LYS 31 far 5 99 5 - 5.0-22.0 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.1-20.4 QB ALA 15 - HD2 LYS 31 far 5 98 5 - 3.7-21.3 QB ALA 16 - HD2 LYS 31 far 5 97 5 - 2.7-21.0 HG2 LYS 24 - HD2 LYS 26 far 5 97 5 - 5.0-12.5 HG2 LYS 24 - HD3 LYS 26 far 5 96 5 - 5.1-12.5 HG2 LYS 19 - HD3 LYS 31 far 5 90 5 - 5.6-20.4 QB ALA 29 - HD2 LYS 36 far 4 85 5 - 5.4-11.5 QB ALA 28 - HD2 LYS 19 far 3 66 5 - 3.8-16.2 QB ALA 28 - HD3 LYS 19 far 3 62 5 - 4.7-17.0 QB ALA 16 - HD2 LYS 19 lone 3 65 55 8 2.3-9.2 7141/6.2=3 QB ALA 16 - HD3 LYS 19 lone 3 60 60 7 2.4-9.7 7141/6.2=3 QB ALA 34 - HD3 LYS 24 far 2 44 5 - 5.1-26.2 QB ALA 34 - HD2 LYS 19 far 2 33 5 - 4.8-21.3 QB ALA 34 - HD3 LYS 19 far 2 30 5 - 5.2-22.3 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 5.8-21.8 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 5.8-10.1 QB ALA 12 - HD3 LYS 19 far 0 35 0 - 5.9-15.4 QB ALA 34 - HD2 LYS 24 far 0 47 0 - 5.9-26.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 6.0-10.4 QB ALA 12 - HD2 LYS 19 far 0 38 0 - 6.0-16.6 HG3 LYS 26 - HD3 LYS 24 far 0 83 0 - 6.0-11.4 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 6.2-21.7 HB2 LEU 96 - HD2 LYS 95 far 0 98 0 - 6.2-9.0 QB ALA 28 - HD3 LYS 24 far 0 84 0 - 6.3-14.0 HG2 LYS 19 - HD2 LYS 26 far 0 91 0 - 6.4-20.5 HG2 LYS 19 - HD3 LYS 26 far 0 90 0 - 6.4-20.4 QB ALA 29 - HD3 LYS 31 far 0 98 0 - 6.5-9.7 QB ALA 29 - HD3 LYS 36 far 0 85 0 - 6.5-12.9 QB ALA 34 - HD2 LYS 31 far 0 57 0 - 6.5-11.5 QB ALA 28 - HD2 LYS 24 far 0 88 0 - 6.6-15.0 HG3 LYS 26 - HD2 LYS 24 far 0 87 0 - 6.7-11.9 QB ALA 29 - HD3 LYS 24 far 0 81 0 - 6.7-15.7 HG3 LYS 31 - HD2 LYS 19 far 0 66 0 - 6.8-19.6 QB ALA 34 - HD3 LYS 31 far 0 59 0 - 6.9-11.8 HG3 LYS 26 - HD3 LYS 31 far 0 99 0 - 7.0-14.6 HG LEU 96 - HD3 LYS 95 far 0 96 0 - 7.1-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 99 0 - 7.1-24.1 HB2 LEU 96 - HD3 LYS 95 far 0 100 0 - 7.2-8.7 HG LEU 96 - HD2 LYS 95 far 0 93 0 - 7.3-9.0 HG2 LYS 19 - HD2 LYS 31 far 0 89 0 - 7.3-20.7 HG3 LYS 31 - HD3 LYS 24 far 0 84 0 - 7.5-22.0 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 7.5-14.9 QB ALA 29 - HD2 LYS 19 far 0 64 0 - 7.6-18.2 QB ALA 110 - HD2 LYS 24 far 0 87 0 - 7.9-42.6 HG2 LYS 24 - HD2 LYS 19 far 0 62 0 - 7.9-15.3 QB ALA 29 - HD2 LYS 24 far 0 85 0 - 8.0-16.8 HG2 LYS 36 - HD3 LYS 26 far 0 98 0 - 8.0-23.3 HB2 LEU 42 - HD3 LYS 36 far 0 80 0 - 8.0-10.9 HG3 LYS 26 - HD2 LYS 36 far 0 86 0 - 8.1-20.8 HG3 LYS 31 - HD3 LYS 19 far 0 62 0 - 8.2-20.5 HG2 LYS 36 - HD2 LYS 31 far 0 98 0 - 8.3-15.6 QB ALA 12 - HD3 LYS 31 far 0 67 0 - 8.3-29.9 HG3 LYS 31 - HD2 LYS 36 far 0 87 0 - 8.4-12.5 HG2 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.5-15.7 QB ALA 29 - HD3 LYS 19 far 0 60 0 - 8.5-19.2 HB2 LEU 42 - HD2 LYS 36 far 0 80 0 - 8.5-12.4 QB ALA 12 - HD3 LYS 26 far 0 66 0 - 8.6-30.9 HG3 LYS 31 - HD2 LYS 24 far 0 88 0 - 8.7-22.7 QB ALA 110 - HD3 LYS 24 far 0 84 0 - 8.8-42.3 QB ALA 16 - HD2 LYS 36 far 0 85 0 - 8.8-27.2 QB ALA 16 - HD3 LYS 26 far 0 98 0 - 9.0-22.4 QB ALA 16 - HD2 LYS 24 far 0 86 0 - 9.0-17.1 QB ALA 15 - HD2 LYS 24 far 0 87 0 - 9.0-20.5 QB ALA 12 - HD2 LYS 31 far 0 65 0 - 9.1-29.1 HG3 LYS 26 - HD3 LYS 36 far 0 87 0 - 9.1-22.5 HG2 LYS 19 - HD2 LYS 24 far 0 76 0 - 9.2-16.0 QB ALA 16 - HD2 LYS 26 far 0 99 0 - 9.2-22.3 QB ALA 28 - HD2 LYS 36 far 0 87 0 - 9.2-13.4 HG2 LYS 24 - HD3 LYS 19 far 0 58 0 - 9.2-14.9 QB ALA 12 - HD2 LYS 26 far 0 67 0 - 9.4-31.2 QB ALA 16 - HD3 LYS 36 far 0 86 0 - 9.5-28.4 HG3 LYS 26 - HD3 LYS 19 far 0 61 0 - 9.5-20.4 QB ALA 16 - HD3 LYS 24 far 0 82 0 - 9.6-16.6 QB ALA 15 - HD3 LYS 26 far 0 99 0 - 9.9-25.4 HG2 LYS 19 - HD3 LYS 24 far 0 72 0 - 9.9-15.7 HG3 LYS 31 - HD3 LYS 36 far 0 88 0 - 10.0-14.2 QB ALA 15 - HD3 LYS 24 far 0 83 0 - 10.0-20.6 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 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 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 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 2.3-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.4-3.0 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 4.2-5.3 6.7=100 H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.2-5.4 6.7=100 Violated in 0 structures by 0.00 A. Peak 3033 from aliabs.peaks (4.02, 2.87, 41.80 ppm; 4.68 A): 2 out of 9 assignments used, quality = 0.99: * HA LYS 95 + HE2 LYS 95 OK 94 100 95 99 4.4-5.7 6.4=39, 2958/1.8=31...(23) HA LYS 95 + HE3 LYS 95 OK 89 100 90 99 4.6-5.9 6.4=39, 2958/1.8=31...(23) HA LEU 96 - HE3 LYS 95 far 0 60 0 - 6.9-9.0 HA LEU 96 - HE2 LYS 95 far 0 60 0 - 8.1-9.0 HA LEU 122 - HE3 LYS 95 far 0 91 0 - 8.8-11.8 HB3 SER 99 - HE3 LYS 95 far 0 65 0 - 9.0-12.8 HA LEU 122 - HE2 LYS 95 far 0 92 0 - 9.4-12.0 HB3 SER 124 - HE3 LYS 95 far 0 95 0 - 9.4-14.0 HB3 SER 99 - HE2 LYS 95 far 0 65 0 - 9.6-13.0 Violated in 3 structures by 0.00 A. Peak 3034 from aliabs.peaks (1.94, 2.87, 41.80 ppm; 5.03 A): 4 out of 8 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=85, 3.0/3033=35...(23) * HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=85, 3.0/3033=37...(22) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=85, 3.0/3033=37...(21) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=85, 3.0/3033=35...(22) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: * HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=85, 3.0/3033=37...(21) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=85, 3.0/3033=35...(22) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=85, 3.0/3033=37...(22) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=85, 9948/9950=39...(23) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 96 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: * HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 98 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 98 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 98 0 - 9.0-10.6 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 8 assignments used, quality = 1.00: * HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 95 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 9.0-10.6 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 2.4-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 98 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 98 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 98 0 - 7.3-9.7 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 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 94 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 95 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.3-9.7 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 6 assignments used, quality = 1.00: * H LEU 96 + HE2 LYS 95 OK 100 100 100 100 6.1-7.1 3.6/3033=49, 3.1/3032=48...(16) H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.3-7.1 3.1/3032=48, 3.6/3033=46...(16) H VAL 126 - HE3 LYS 95 far 0 100 0 - 8.4-12.2 H SER 99 - HE3 LYS 95 far 0 90 0 - 8.7-10.4 H SER 99 - HE2 LYS 95 far 0 90 0 - 9.0-10.4 H VAL 126 - HE2 LYS 95 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 3043 from aliabs.peaks (7.70, 2.87, 41.80 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.2-5.4 6.7=100 H LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.2-5.3 6.7=100 Violated in 0 structures by 0.00 A. Peak 3044 from aliabs.peaks (4.02, 2.87, 41.80 ppm; 4.68 A): 2 out of 9 assignments used, quality = 0.99: HA LYS 95 + HE2 LYS 95 OK 94 100 95 99 4.4-5.7 6.4=39, 2958/1.8=31...(23) * HA LYS 95 + HE3 LYS 95 OK 89 100 90 99 4.6-5.9 6.4=39, 2958/1.8=31...(23) HA LEU 96 - HE3 LYS 95 far 0 60 0 - 6.9-9.0 HA LEU 96 - HE2 LYS 95 far 0 60 0 - 8.1-9.0 HA LEU 122 - HE3 LYS 95 far 0 92 0 - 8.8-11.8 HB3 SER 99 - HE3 LYS 95 far 0 65 0 - 9.0-12.8 HA LEU 122 - HE2 LYS 95 far 0 91 0 - 9.4-12.0 HB3 SER 124 - HE3 LYS 95 far 0 96 0 - 9.4-14.0 HB3 SER 99 - HE2 LYS 95 far 0 65 0 - 9.6-13.0 Violated in 3 structures by 0.00 A. Peak 3045 from aliabs.peaks (1.94, 2.87, 41.80 ppm; 5.03 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=85, 3.0/3044=35...(23) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=85, 3.0/3044=35...(22) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=85, 3.0/3044=37...(22) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=85, 3.0/3044=37...(21) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: * HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.4-5.5 5.3=85, 3.0/3044=35...(22) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.6-4.8 5.3=85, 9948/9950=40...(23) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.5-5.5 5.3=85, 3.0/3044=37...(21) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.5-5.5 5.3=85, 3.0/3044=37...(22) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.5-10.1 HB3 ARG 90 - HE2 LYS 95 far 0 96 0 - 6.8-9.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.1-9.9 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 7.4-10.1 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 8 assignments used, quality = 1.00: * HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 98 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 98 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 98 0 - 9.0-10.6 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 8 assignments used, quality = 1.00: * HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.9 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.8 3.7=100 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 7.5-10.2 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 8.3-10.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 8.5-10.4 HG LEU 96 - HE2 LYS 95 far 0 95 0 - 9.0-10.6 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 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 99 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 98 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 98 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 98 0 - 7.3-9.7 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 2.3-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 99 99 100 100 2.4-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 0 95 0 - 7.0-10.7 HB2 LEU 98 - HE2 LYS 95 far 0 94 0 - 7.0-10.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.1-9.4 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.3-9.7 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 6 assignments used, quality = 1.00: * H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.3-7.1 3.1/3032=48, 3.6/3044=46...(16) H LEU 96 + HE2 LYS 95 OK 100 100 100 100 6.1-7.1 3.6/3044=49, 3.1/3032=48...(16) H VAL 126 - HE3 LYS 95 far 0 100 0 - 8.4-12.2 H SER 99 - HE3 LYS 95 far 0 90 0 - 8.7-10.4 H SER 99 - HE2 LYS 95 far 0 90 0 - 9.0-10.4 H VAL 126 - HE2 LYS 95 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 3054 from aliabs.peaks (8.28, 4.05, 58.64 ppm; 5.27 A): 9 out of 17 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 99 100 100 100 4.2-5.4 4021/11689=70...(23) H SER 99 + HA LEU 96 OK 90 90 100 99 3.5-4.2 3.4/7388=40, 3.7/3208=38...(27) H VAL 126 + HA LEU 122 OK 72 73 100 100 3.2-4.2 4.0/11604=59...(21) H LEU 96 + HA LEU 122 OK 72 73 100 98 4.8-6.1 3.8/3067=33, 4.6/3100=29...(35) 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 63 64 100 99 5.2-5.5 6535/3.6=72...(10) H SER 99 + HA LEU 122 OK 57 60 100 94 4.2-6.1 3.7/3208=41, 3.7/3214=35...(17) H LEU 123 + HA LEU 96 OK 33 99 45 74 5.6-7.0 3.3/3855=22, 4.3/3858=20...(10) H LEU 49 - HA GLU 44 far 2 43 5 - 6.2-7.6 H SER 99 - HA GLU 102 far 0 68 0 - 6.8-8.1 H GLU 40 - HA GLU 44 far 0 64 0 - 7.8-8.5 H LEU 49 - HA LEU 122 far 0 45 0 - 8.6-11.9 H LEU 69 - HA LEU 122 far 0 48 0 - 8.7-11.6 H LEU 69 - HA LEU 96 far 0 76 0 - 9.0-10.9 H LEU 69 - HA GLU 44 far 0 46 0 - 9.6-11.1 H ASP 131 - HA GLU 44 far 0 70 0 - 9.8-11.5 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): 5 out of 19 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HG LEU 96 + HA LEU 96 OK 89 89 100 100 3.5-3.7 3.7=100 HB2 LEU 96 + HA LEU 122 OK 73 73 100 100 2.7-5.1 3067=48, 3.2/3100=35...(45) HB3 LEU 100 + HA LEU 96 OK 67 99 70 97 4.9-7.9 3.2/11488=69...(19) HG LEU 96 + HA LEU 122 OK 48 59 85 97 5.0-6.6 2.1/3100=38, 3.0/3067=35...(24) HB3 LEU 100 - HA LEU 122 poor 14 71 20 - 5.2-8.0 HG2 LYS 95 - HA LEU 96 far 5 99 5 - 5.9-6.6 QB ALA 108 - HA GLU 102 far 4 82 5 - 4.3-9.4 HG3 LYS 95 - HA LEU 96 far 0 100 0 - 6.1-6.5 QB ALA 110 - HA GLU 102 far 0 81 0 - 6.4-14.3 HB3 LEU 100 - HA GLU 102 far 0 79 0 - 7.2-7.9 HB2 LEU 42 - HA GLU 44 far 0 68 0 - 7.2-7.7 HG3 LYS 95 - HA LEU 122 far 0 72 0 - 7.3-9.4 HG2 LYS 95 - HA LEU 122 far 0 70 0 - 7.3-9.5 QB ALA 109 - HA GLU 102 far 0 79 0 - 7.4-11.3 QB ALA 108 - HA LEU 122 far 0 73 0 - 9.0-16.4 QB ALA 12 - HA GLU 102 far 0 59 0 - 9.4-43.5 HG2 LYS 36 - HA GLU 44 far 0 71 0 - 9.5-14.6 QB ALA 108 - HA LEU 96 far 0 100 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 3057 from aliabs.peaks (2.24, 4.05, 58.64 ppm; 4.62 A): 5 out of 20 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 73 73 100 99 3.1-5.4 1.8/3067=36, 3.2/3100=32...(45) HB3 GLU 102 + HA GLU 102 OK 71 71 100 100 2.4-3.0 3.0=100 HB VAL 105 + HA GLU 102 OK 55 55 100 100 4.0-5.0 2.1/10086=94, 3465=65...(13) HG2 GLU 97 + HA LEU 96 OK 49 100 50 99 5.2-6.8 3133/3.6=67, 3134/5.0=51...(16) HB3 GLN 104 - HA GLU 102 far 0 63 0 - 5.8-7.6 HB3 GLU 97 - HA LEU 96 far 0 76 0 - 5.8-6.6 HG2 GLU 97 - HA LEU 122 far 0 73 0 - 7.0-8.8 HB3 GLN 127 - HA LEU 122 far 0 54 0 - 7.2-9.8 HB3 GLU 128 - HA LEU 122 far 0 67 0 - 7.8-10.3 HB3 GLU 128 - HA LEU 96 far 0 97 0 - 7.8-10.0 HB3 GLU 97 - HA LEU 122 far 0 48 0 - 7.9-9.4 HB3 GLU 102 - HA LEU 122 far 0 63 0 - 8.1-12.0 HB3 GLU 102 - HA LEU 96 far 0 93 0 - 8.3-11.5 HB3 GLN 127 - HA LEU 96 far 0 83 0 - 8.4-10.8 HB3 GLU 97 - HA GLU 102 far 0 55 0 - 8.6-11.2 HG2 GLU 97 - HA GLU 102 far 0 82 0 - 8.6-12.4 HG2 GLN 68 - HA GLU 44 far 0 39 0 - 9.1-11.8 HB2 GLN 68 - HA GLU 44 far 0 45 0 - 9.2-11.7 HG2 GLN 68 - HA LEU 122 far 0 41 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3058 from aliabs.peaks (1.40, 4.05, 58.64 ppm; 5.06 A): 5 out of 18 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 100 100 3.5-3.7 3.7=100 HB2 LEU 96 + HA LEU 96 OK 89 89 100 100 2.2-2.9 3.0=100 HG LEU 96 + HA LEU 122 OK 61 73 85 98 5.0-6.6 3084=42, 2.1/3100=38...(23) HB2 LEU 96 + HA LEU 122 OK 59 59 100 99 2.7-5.1 3067=40, 3.2/3100=35...(45) HB3 LEU 100 + HA LEU 96 OK 49 73 70 95 4.9-7.9 3.2/11488=69...(19) HB3 LEU 100 - HA LEU 122 poor 9 46 20 - 5.2-8.0 HG2 LYS 95 - HA LEU 96 far 5 98 5 - 5.9-6.6 QB ALA 108 - HA GLU 102 far 3 65 5 - 4.3-9.4 HG3 LYS 95 - HA LEU 96 far 0 96 0 - 6.1-6.5 QB ALA 110 - HA GLU 102 far 0 70 0 - 6.4-14.3 HB3 LEU 100 - HA GLU 102 far 0 53 0 - 7.2-7.9 HB2 LEU 42 - HA GLU 44 far 0 45 0 - 7.2-7.7 HG3 LYS 95 - HA LEU 122 far 0 66 0 - 7.3-9.4 HG2 LYS 95 - HA LEU 122 far 0 69 0 - 7.3-9.5 QB ALA 109 - HA GLU 102 far 0 76 0 - 7.4-11.3 QB ALA 108 - HA LEU 122 far 0 57 0 - 9.0-16.4 HG2 LYS 36 - HA GLU 44 far 0 57 0 - 9.5-14.6 QB ALA 108 - HA LEU 96 far 0 87 0 - 9.6-17.1 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 4.0-4.1 4.0=100 QD1 LEU 96 + HA LEU 96 OK 73 73 100 100 2.7-3.4 4.0=100 QD2 LEU 96 + HA LEU 122 OK 52 73 75 95 4.9-6.0 2.1/3100=37, 3.2/3067=28...(22) QD1 LEU 96 + HA LEU 122 OK 41 46 100 88 2.8-4.5 3.2/3067=28, 2.1/3084=27...(18) QD2 LEU 43 - HA GLU 44 far 3 70 5 - 5.4-5.9 QG1 VAL 93 - HA LEU 96 far 0 100 0 - 5.7-6.2 QD2 LEU 103 - HA LEU 122 far 0 60 0 - 5.8-8.8 QD2 LEU 103 - HA GLU 102 far 0 68 0 - 6.1-7.1 QD2 LEU 103 - HA LEU 96 far 0 90 0 - 6.3-9.5 HG12 ILE 129 - HA LEU 96 far 0 100 0 - 6.3-8.3 HG12 ILE 129 - HA LEU 122 far 0 73 0 - 6.8-9.3 QG1 VAL 93 - HA LEU 122 far 0 73 0 - 7.6-8.5 QD1 LEU 96 - HA GLU 102 far 0 53 0 - 8.9-10.5 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 28 assignments used, quality = 1.00: * QD1 LEU 96 + HA LEU 96 OK 100 100 100 100 2.7-3.4 4.0=100 QD2 LEU 122 + HA LEU 96 OK 83 95 95 92 2.2-5.2 3901=24, 10337/3.0=20...(24) QD2 LEU 96 + HA LEU 96 OK 73 73 100 100 4.0-4.1 4.0=100 QD1 LEU 96 + HA LEU 122 OK 68 73 100 93 2.8-4.5 3100=38, 9987/3994=24...(21) QD2 LEU 122 + HA LEU 122 OK 65 65 100 100 1.8-4.1 3.9=100 QD2 LEU 96 - HA LEU 122 poor 19 46 40 - 4.9-6.0 QD2 LEU 49 - HA LEU 122 poor 16 46 35 - 3.9-7.4 QD1 LEU 53 - HA LEU 122 far 8 54 15 - 4.1-8.5 QD1 LEU 103 - HA GLU 102 far 4 78 5 - 4.6-6.7 QD2 LEU 43 - HA GLU 44 far 0 35 0 - 5.4-5.9 QD2 LEU 49 - HA LEU 96 far 0 73 0 - 5.6-8.0 QG1 VAL 93 - HA LEU 96 far 0 76 0 - 5.7-6.2 QD1 LEU 103 - HA LEU 122 far 0 70 0 - 6.0-8.9 HG12 ILE 129 - HA LEU 96 far 0 65 0 - 6.3-8.3 QD2 LEU 122 - HA GLU 102 far 0 73 0 - 6.5-10.6 QD1 LEU 53 - HA LEU 96 far 0 83 0 - 6.7-10.8 HG12 ILE 129 - HA LEU 122 far 0 41 0 - 6.8-9.3 QD2 LEU 119 - HA LEU 122 far 0 60 0 - 6.9-8.9 QG1 VAL 63 - HA GLU 102 far 0 77 0 - 7.0-7.9 QD1 LEU 103 - HA LEU 96 far 0 99 0 - 7.2-9.8 QD2 LEU 49 - HA GLU 44 far 0 45 0 - 7.3-9.6 QG1 VAL 93 - HA LEU 122 far 0 48 0 - 7.6-8.5 QD2 LEU 119 - HA GLU 102 far 0 68 0 - 8.0-12.1 QD2 LEU 119 - HA LEU 96 far 0 90 0 - 8.6-11.0 QG1 VAL 63 - HA LEU 96 far 0 98 0 - 8.8-10.8 QG1 VAL 63 - HA LEU 122 far 0 69 0 - 8.8-10.4 QD1 LEU 96 - HA GLU 102 far 0 82 0 - 8.9-10.5 QD1 LEU 53 - HA GLU 44 far 0 52 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3061 from aliabs.peaks (8.50, 4.05, 58.64 ppm; 4.85 A): 3 out of 6 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 97 98 100 99 3.7-5.1 7388=54, 7401/11488=52...(21) H LEU 100 + HA LEU 122 OK 54 69 80 98 4.3-6.1 10026/3.9=42...(28) H GLU 97 - HA LEU 122 poor 15 73 20 - 5.6-6.8 H LEU 100 - HA GLU 102 far 0 77 0 - 6.5-7.2 H GLU 97 - HA GLU 102 far 0 82 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 3062 from aliabs.peaks (8.29, 4.05, 58.64 ppm; 4.89 A): 8 out of 18 assignments used, quality = 1.00: * H SER 99 + HA LEU 96 OK 99 100 100 99 3.5-4.2 7372=36, 7350/3.6=36...(26) H VAL 126 + HA LEU 96 OK 94 96 100 98 4.2-5.4 4021/11689=61...(21) H LEU 96 + HA LEU 96 OK 90 90 100 100 2.8-2.9 2.9=100 H LEU 43 + HA GLU 44 OK 69 70 100 98 5.2-5.5 6535/3.6=67...(11) H VAL 126 + HA LEU 122 OK 65 66 100 99 3.2-4.2 4.0/11604=51...(21) H SER 99 + HA LEU 122 OK 51 73 75 92 4.2-6.1 3.7/3208=37, 3.7/3214=31...(17) H LEU 123 + HA LEU 122 OK 46 46 100 100 3.5-3.6 3.6=100 H LEU 96 + HA LEU 122 OK 44 60 75 97 4.8-6.1 3.8/3067=29, 4.6/3100=25...(35) H LEU 123 - HA LEU 96 far 11 73 15 - 5.6-7.0 H LEU 49 - HA GLU 44 far 0 67 0 - 6.2-7.6 H SER 99 - HA GLU 102 far 0 82 0 - 6.8-8.1 H GLU 40 - HA GLU 44 far 0 70 0 - 7.8-8.5 H LEU 49 - HA LEU 122 far 0 69 0 - 8.6-11.9 H LEU 69 - HA LEU 122 far 0 71 0 - 8.7-11.6 H LEU 69 - HA LEU 96 far 0 99 0 - 9.0-10.9 H ALA 110 - HA GLU 102 far 0 53 0 - 9.4-15.2 H LEU 69 - HA GLU 44 far 0 68 0 - 9.6-11.1 H ASP 131 - HA GLU 44 far 0 53 0 - 9.8-11.5 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 4.7-4.8 5.0=100 * HB2 SER 99 + HA LEU 96 OK 97 100 100 97 3.1-5.0 3208=48, 1.8/3214=45...(16) HB2 SER 99 + HA LEU 122 OK 73 73 100 100 2.1-5.0 3208=52, 11479/3.9=50...(28) HA LEU 43 + HA GLU 44 OK 58 58 100 100 4.8-4.9 4.9=100 HA GLU 97 - HA LEU 122 poor 15 73 20 - 5.9-7.2 HB3 SER 130 - HA GLU 44 far 0 65 0 - 6.8-9.0 HB2 SER 99 - HA GLU 102 far 0 82 0 - 7.4-8.6 HA SER 130 - HA GLU 44 far 0 64 0 - 8.0-8.8 HA GLU 97 - HA GLU 102 far 0 82 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 3064 from aliabs.peaks (4.00, 4.05, 58.64 ppm; 4.74 A): 5 out of 25 assignments used, quality = 1.00: * HB3 SER 99 + HA LEU 96 OK 93 100 100 93 2.9-5.6 3214=49, 1.8/3208=45...(14) HB3 SER 99 + HA LEU 122 OK 73 73 100 99 2.9-4.8 3214=51, 1.8/3208=48...(17) HA LYS 95 + HA LEU 96 OK 65 65 100 99 4.7-4.8 4.9=89, ~9975=35...(22) HA LEU 103 + HA GLU 102 OK 64 66 100 97 4.7-4.8 ~7469=40, ~7468=39...(12) HB3 SER 106 + HA GLU 102 OK 50 65 90 86 2.1-7.2 4.0/11781=45...(13) HB2 SER 124 - HA LEU 122 poor 19 70 35 78 5.3-7.1 3968/4.9=53, 4.0/7760=29...(5) HA LEU 119 - HA LEU 122 far 0 39 0 - 5.7-6.8 HB3 SER 124 - HA LEU 122 far 0 62 0 - 6.0-7.2 HA LYS 95 - HA LEU 122 far 0 41 0 - 6.4-8.4 HB2 SER 124 - HA LEU 96 far 0 99 0 - 6.6-8.5 HB3 SER 99 - HA GLU 102 far 0 82 0 - 6.8-8.4 HB3 SER 94 - HA LEU 96 far 0 71 0 - 7.5-8.3 HB3 SER 124 - HA LEU 96 far 0 92 0 - 7.8-9.1 HA SER 50 - HA LEU 122 far 0 73 0 - 7.9-10.2 HA LEU 119 - HA LEU 96 far 0 63 0 - 8.2-9.5 HA GLN 127 - HA LEU 122 far 0 37 0 - 8.2-9.3 HB3 SER 51 - HA GLU 44 far 0 58 0 - 8.2-10.2 HA LEU 103 - HA LEU 122 far 0 59 0 - 8.7-11.0 HA GLN 127 - HA GLU 44 far 0 35 0 - 8.9-10.2 HB2 SER 38 - HA GLU 44 far 0 69 0 - 9.3-11.2 HA GLN 127 - HA LEU 96 far 0 60 0 - 9.4-10.4 HA GLU 91 - HA LEU 96 far 0 73 0 - 9.4-10.4 HA LEU 119 - HA GLU 102 far 0 44 0 - 9.7-12.2 HB3 SER 94 - HA LEU 122 far 0 45 0 - 9.8-11.3 HA LEU 103 - HA LEU 96 far 0 89 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3065 from aliabs.peaks (3.25, 1.38, 40.82 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HB2 LEU 96 OK 100 100 100 100 2.2-4.5 11806/3.2=87...(39) 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 2.0-3.5 3.8=100 H VAL 126 + HB2 LEU 96 OK 98 100 100 98 2.9-4.8 3099/3.2=38, 3091/3.2=36...(18) H SER 99 - HB2 LEU 96 far 14 90 15 - 5.4-6.4 H LEU 123 - HB2 LEU 96 far 0 99 0 - 5.7-7.9 H LEU 69 - HB2 LEU 96 far 0 76 0 - 7.5-9.1 H LEU 49 - HB2 LEU 96 far 0 71 0 - 9.2-12.1 H ASP 131 - HB2 LEU 96 far 0 100 0 - 9.5-10.7 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 7 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HA LEU 122 + HB2 LEU 96 OK 92 93 100 99 2.7-5.1 3100/3.2=33, 3084/3.0=26...(45) HA ALA 92 - HB2 LEU 96 far 10 100 10 - 4.8-7.2 HA LYS 95 - HB2 LEU 96 far 6 60 10 - 5.5-6.5 HA LEU 119 - HB2 LEU 96 far 0 63 0 - 8.6-11.1 HB2 SER 74 - HB2 LEU 96 far 0 100 0 - 9.2-13.5 HB THR 65 - HB2 LEU 96 far 0 97 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3068 from aliabs.peaks (1.38, 1.38, 40.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 96 + HB2 LEU 96 OK 100 100 - 100 Peak 3069 from aliabs.peaks (2.24, 1.38, 40.82 ppm; 4.69 A): 2 out of 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 OK 35 100 35 100 3.9-7.2 3133/4.4=57, ~11461=35...(33) HB3 GLU 97 - HB2 LEU 96 far 4 76 5 - 5.2-7.4 HB3 GLU 128 - HB2 LEU 96 far 0 97 0 - 6.8-9.2 HB3 GLN 127 - HB2 LEU 96 far 0 83 0 - 7.3-10.2 HG2 GLN 68 - HB2 LEU 96 far 0 65 0 - 8.9-13.2 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): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.8 3.2=100 QD1 LEU 96 + HB2 LEU 96 OK 73 73 100 100 2.0-3.2 3.2=100 HG12 ILE 129 + HB2 LEU 96 OK 59 100 60 98 4.4-6.9 ~10492=37, ~11454=36...(21) QG1 VAL 93 - HB2 LEU 96 far 10 100 10 - 3.8-5.7 QD2 LEU 103 - HB2 LEU 96 far 0 90 0 - 7.2-11.0 QD2 LEU 43 - HB2 LEU 96 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 3072 from aliabs.peaks (0.77, 1.38, 40.82 ppm; 4.20 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 96 + HB2 LEU 96 OK 73 73 100 100 2.2-2.8 3.2=100 QD2 LEU 122 + HB2 LEU 96 OK 64 95 70 96 2.0-6.5 10337=29, 3.9/3067=21...(49) HG12 ILE 129 + HB2 LEU 96 OK 45 65 70 98 4.4-6.9 ~10492=37, ~11454=37...(21) QG1 VAL 93 - HB2 LEU 96 far 11 76 15 - 3.8-5.7 QD2 LEU 49 - HB2 LEU 96 far 11 73 15 - 4.6-6.9 QD1 LEU 53 - HB2 LEU 96 far 0 83 0 - 6.0-10.3 QD1 LEU 103 - HB2 LEU 96 far 0 99 0 - 8.1-10.3 QD2 LEU 119 - HB2 LEU 96 far 0 90 0 - 9.0-12.1 QG1 VAL 63 - HB2 LEU 96 far 0 98 0 - 9.1-10.8 QD2 LEU 43 - HB2 LEU 96 far 0 60 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 3073 from aliabs.peaks (8.50, 1.38, 40.82 ppm; 5.16 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HB2 LEU 96 OK 100 100 100 100 3.1-4.3 4.4=100 H LEU 100 + HB2 LEU 96 OK 72 98 75 98 5.1-6.6 7388/3.0=39, 3106/3.2=39...(30) 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 2.2-3.9 3065/1.8=99...(39) Violated in 0 structures by 0.00 A. Peak 3075 from aliabs.peaks (8.28, 2.24, 40.82 ppm; 5.22 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-3.2 3.8=100 H VAL 126 + HB3 LEU 96 OK 100 100 100 100 3.1-4.9 4.7/11655=59...(21) H SER 99 + HB3 LEU 96 OK 40 90 45 97 5.8-6.4 7337/4.4=31, 7372/3.0=26...(24) H LEU 123 - HB3 LEU 96 far 5 99 5 - 5.8-8.3 H LEU 69 - HB3 LEU 96 far 0 76 0 - 7.7-10.0 H ASP 131 - HB3 LEU 96 far 0 100 0 - 9.5-10.2 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 7 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.2-2.9 3.0=100 HA ALA 92 + HB3 LEU 96 OK 100 100 100 100 4.7-5.8 2894/9975=61...(18) HA LEU 122 + HB3 LEU 96 OK 93 93 100 100 3.1-5.4 3067/1.8=47, 3100/3.2=38...(47) HA LYS 95 + HB3 LEU 96 OK 60 60 100 99 5.5-6.3 2.9/9975=78...(29) HB2 SER 74 - HB3 LEU 96 far 0 100 0 - 8.7-12.5 HA LEU 119 - HB3 LEU 96 far 0 63 0 - 9.2-11.6 HB THR 65 - HB3 LEU 96 far 0 97 0 - 9.8-12.4 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 5 assignments used, quality = 1.00: * HB2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB3 LEU 96 OK 89 89 100 100 2.5-3.0 3.0=100 HG2 LYS 95 - HB3 LEU 96 far 5 99 5 - 5.1-7.6 HB3 LEU 100 - HB3 LEU 96 far 0 99 0 - 6.0-9.0 HG3 LYS 95 - HB3 LEU 96 far 0 100 0 - 6.1-7.7 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 5 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 96 + HB3 LEU 96 OK 89 89 100 100 1.8-1.8 1.8=100 HG2 LYS 95 - HB3 LEU 96 far 10 98 10 - 5.1-7.6 HB3 LEU 100 - HB3 LEU 96 far 7 73 10 - 6.0-9.0 HG3 LYS 95 - HB3 LEU 96 far 5 96 5 - 6.1-7.7 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 1.9-2.5 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 100 100 100 100 3.7-5.2 9974/3.0=79...(31) HG12 ILE 129 + HB3 LEU 96 OK 79 100 80 99 4.2-6.4 2.1/10492=60...(22) QD1 LEU 96 + HB3 LEU 96 OK 73 73 100 100 2.1-3.2 3.2=100 QD2 LEU 103 - HB3 LEU 96 far 0 90 0 - 8.2-11.2 QD2 LEU 43 - HB3 LEU 96 far 0 100 0 - 9.6-10.6 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 10 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 76 76 100 100 3.7-5.2 9974/3.0=53, 2.1/9971=52...(31) QD2 LEU 96 + HB3 LEU 96 OK 73 73 100 100 1.9-2.5 3.2=100 QD2 LEU 122 + HB3 LEU 96 OK 70 95 75 98 3.4-7.0 10337/1.8=28...(48) HG12 ILE 129 + HB3 LEU 96 OK 58 65 90 98 4.2-6.4 2.1/10492=62...(22) QD2 LEU 49 - HB3 LEU 96 far 7 73 10 - 5.3-8.3 QD1 LEU 53 - HB3 LEU 96 far 0 83 0 - 6.3-11.4 QD1 LEU 103 - HB3 LEU 96 far 0 99 0 - 8.2-11.4 QD2 LEU 43 - HB3 LEU 96 far 0 60 0 - 9.6-10.6 QG1 VAL 63 - HB3 LEU 96 far 0 98 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3082 from aliabs.peaks (8.50, 2.24, 40.82 ppm; 6.49 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 100 100 3.0-4.3 4.4=100 H LEU 100 + HB3 LEU 96 OK 98 98 100 99 5.9-7.0 7388/3.0=51, 3106/3.2=46...(28) H VAL 132 - HB3 LEU 96 far 0 73 0 - 9.8-10.8 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 5 assignments used, quality = 1.00: * H LEU 96 + HG LEU 96 OK 100 100 100 100 3.1-3.9 5.0=100 H VAL 126 + HG LEU 96 OK 95 100 95 100 5.7-6.3 ~11452=57, ~11807=57...(19) H SER 99 + HG LEU 96 OK 88 90 100 97 5.1-6.1 3.4/3090=31, ~3106=27...(20) H LEU 69 - HG LEU 96 poor 15 76 20 - 5.9-8.6 H LEU 123 - HG LEU 96 far 0 99 0 - 7.6-9.3 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 8 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 100 100 3.5-3.7 3.7=100 HA LEU 122 + HG LEU 96 OK 77 93 85 97 5.0-6.6 3100/2.1=38, 3067/3.0=35...(25) HA LYS 95 - HG LEU 96 far 6 60 10 - 6.0-6.6 HA ALA 92 - HG LEU 96 far 0 100 0 - 6.9-7.8 HB2 SER 74 - HG LEU 96 far 0 100 0 - 7.2-10.9 HB3 SER 74 - HG LEU 96 far 0 99 0 - 8.1-11.9 HB THR 65 - HG LEU 96 far 0 97 0 - 9.1-11.4 HA LEU 119 - HG LEU 96 far 0 63 0 - 9.9-11.8 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 8 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 97 + HG LEU 96 OK 100 100 100 100 2.2-5.2 2.9/11461=62...(30) HB3 GLU 97 + HG LEU 96 OK 76 76 100 100 3.3-4.9 1.8/11461=75, ~11809=47...(41) HG2 GLN 68 - HG LEU 96 far 0 65 0 - 7.9-12.0 HB3 GLU 128 - HG LEU 96 far 0 97 0 - 8.8-11.1 HB2 GLN 68 - HG LEU 96 far 0 73 0 - 9.2-11.9 HB3 GLN 104 - HG LEU 96 far 0 85 0 - 9.8-14.3 HB3 GLU 102 - HG LEU 96 far 0 93 0 - 9.8-13.0 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 2.8-3.9 9974=48, 11432/5.0=21...(38) 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 - 5.8-7.5 QD2 LEU 103 - HG LEU 96 far 0 90 0 - 7.0-10.4 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 2.8-3.9 9974=42, ~11806=26...(38) 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 43 95 55 82 3.7-6.7 10337=18, 10337/3.0=16...(27) QD2 LEU 49 - HG LEU 96 far 0 73 0 - 5.0-8.4 HG12 ILE 129 - HG LEU 96 far 0 65 0 - 5.8-7.5 QD1 LEU 103 - HG LEU 96 far 0 99 0 - 7.3-10.4 QD1 LEU 53 - HG LEU 96 far 0 83 0 - 7.4-12.6 QG1 VAL 63 - HG LEU 96 far 0 98 0 - 7.7-10.2 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 2.2-2.9 3098/2.1=100...(31) H LEU 100 + HG LEU 96 OK 98 98 100 100 4.9-5.7 7401/11918=75...(24) 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 100 100 100 100 3.3-4.0 2.9/3092=65...(27) H VAL 126 + QD2 LEU 96 OK 93 100 95 99 3.9-4.8 2.9/11807=46...(25) H LEU 69 - QD2 LEU 96 poor 19 76 25 - 4.3-6.4 H SER 99 - QD2 LEU 96 far 0 90 0 - 6.2-6.9 H LEU 123 - QD2 LEU 96 far 0 99 0 - 6.7-8.1 H ASP 131 - QD2 LEU 96 far 0 100 0 - 7.3-8.1 H LEU 49 - QD2 LEU 96 far 0 71 0 - 7.4-8.9 H LEU 43 - QD2 LEU 96 far 0 96 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 3092 from aliabs.peaks (4.05, 0.75, 26.12 ppm; 3.62 A): 1 out of 8 assignments used, quality = 0.99: * HA LEU 96 + QD2 LEU 96 OK 99 100 100 99 4.0-4.1 4.0=76, 3100/2.1=47...(24) HA LEU 122 - QD2 LEU 96 far 0 93 0 - 4.9-6.0 HA ALA 92 - QD2 LEU 96 far 0 100 0 - 5.2-6.3 HB2 SER 74 - QD2 LEU 96 far 0 100 0 - 5.9-8.7 HA LYS 95 - QD2 LEU 96 far 0 60 0 - 6.2-6.8 HB3 SER 74 - QD2 LEU 96 far 0 99 0 - 6.6-9.3 HB THR 65 - QD2 LEU 96 far 0 97 0 - 6.9-9.0 HA LEU 119 - QD2 LEU 96 far 0 63 0 - 8.9-10.2 Violated in 20 structures by 0.48 A. Peak 3093 from aliabs.peaks (1.38, 0.75, 26.12 ppm; 3.61 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.2-2.8 3.2=100 HG LEU 96 + QD2 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 - QD2 LEU 96 far 0 99 0 - 4.9-7.2 HG2 LYS 95 - QD2 LEU 96 far 0 99 0 - 5.7-8.2 HG3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.8-8.3 HB2 LEU 42 - QD2 LEU 96 far 0 99 0 - 8.0-8.7 QB ALA 16 - QD2 LEU 96 far 0 97 0 - 9.6-29.4 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 1.9-2.5 3.2=100 HG2 GLU 97 + QD2 LEU 96 OK 70 100 70 100 3.2-6.1 3.8/11809=42...(31) HB3 GLU 97 - QD2 LEU 96 far 4 76 5 - 4.3-5.8 HG2 GLN 68 - QD2 LEU 96 far 0 65 0 - 5.8-9.7 HB3 GLU 128 - QD2 LEU 96 far 0 97 0 - 5.8-8.0 HB3 GLN 127 - QD2 LEU 96 far 0 83 0 - 7.2-8.7 HB2 GLN 68 - QD2 LEU 96 far 0 73 0 - 7.3-9.1 HB3 GLN 104 - QD2 LEU 96 far 0 85 0 - 9.7-13.4 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 7 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 2.2-2.8 3.2=100 HB3 LEU 100 - QD2 LEU 96 far 0 73 0 - 4.9-7.2 HG2 LYS 95 - QD2 LEU 96 far 0 98 0 - 5.7-8.2 HG3 LYS 95 - QD2 LEU 96 far 0 96 0 - 6.8-8.3 HB2 LEU 42 - QD2 LEU 96 far 0 73 0 - 8.0-8.7 QB ALA 16 - QD2 LEU 96 far 0 99 0 - 9.6-29.4 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 3.3-4.0 2.8/11809=60...(22) H LEU 100 - QD2 LEU 96 far 0 98 0 - 5.9-6.6 H VAL 132 - QD2 LEU 96 far 0 73 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 3099 from aliabs.peaks (8.28, 0.77, 23.66 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 96 + QD1 LEU 96 OK 98 100 100 98 4.2-4.4 4.6=55, 2.9/3100=42...(20) H VAL 126 + QD1 LEU 96 OK 98 100 100 98 3.3-4.3 2.9/11452=44...(25) H LEU 69 - QD1 LEU 96 poor 19 76 25 - 4.1-5.7 H SER 99 - QD1 LEU 96 far 9 90 10 - 4.6-5.9 H LEU 123 - QD1 LEU 96 far 5 99 5 - 4.6-6.4 H LEU 49 - QD1 LEU 96 far 0 71 0 - 6.4-8.2 H ASP 131 - QD1 LEU 96 far 0 100 0 - 8.8-9.8 H LEU 43 - QD1 LEU 96 far 0 96 0 - 10.0-11.0 Violated in 1 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 98 100 100 98 2.7-3.4 4.0=59, 3092/2.1=58...(28) HA LEU 122 + QD1 LEU 96 OK 60 93 85 76 2.8-4.5 3994/9987=15...(19) HB THR 65 - QD1 LEU 96 far 0 97 0 - 6.0-7.5 HA LYS 95 - QD1 LEU 96 far 0 60 0 - 6.4-6.8 HA LEU 119 - QD1 LEU 96 far 0 63 0 - 6.6-8.1 HA ALA 92 - QD1 LEU 96 far 0 100 0 - 6.8-7.8 HB2 SER 74 - QD1 LEU 96 far 0 100 0 - 6.9-10.1 HB3 SER 74 - QD1 LEU 96 far 0 99 0 - 7.5-10.8 HA GLU 102 - QD1 LEU 96 far 0 100 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 3101 from aliabs.peaks (1.38, 0.77, 23.66 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 + QD1 LEU 96 OK 64 99 75 86 2.3-4.9 3.2/11388=19, ~11918=19...(25) HG2 LYS 95 - QD1 LEU 96 far 0 99 0 - 7.2-8.4 HG3 LYS 95 - QD1 LEU 96 far 0 100 0 - 7.8-8.3 QB ALA 108 - QD1 LEU 96 far 0 100 0 - 8.6-14.0 HB2 LEU 42 - QD1 LEU 96 far 0 99 0 - 9.4-10.5 QB ALA 29 - QD1 LEU 96 far 0 100 0 - 9.7-20.2 QB ALA 109 - QD1 LEU 96 far 0 99 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3102 from aliabs.peaks (2.24, 0.77, 23.66 ppm; 3.77 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.1-3.2 3.2=100 HG2 GLU 97 + QD1 LEU 96 OK 40 100 40 99 3.2-5.9 3134/11451=29...(31) HB3 GLU 97 - QD1 LEU 96 poor 19 76 25 - 4.1-5.7 HG2 GLN 68 - QD1 LEU 96 far 0 65 0 - 5.3-8.8 HB2 GLN 68 - QD1 LEU 96 far 0 73 0 - 6.6-8.6 HB3 GLU 128 - QD1 LEU 96 far 0 97 0 - 7.2-9.5 HB3 GLN 127 - QD1 LEU 96 far 0 83 0 - 7.3-8.6 HB3 GLN 104 - QD1 LEU 96 far 0 85 0 - 7.5-10.9 HB3 GLU 102 - QD1 LEU 96 far 0 93 0 - 7.8-10.6 Violated in 0 structures by 0.00 A. Peak 3103 from aliabs.peaks (1.40, 0.77, 23.66 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.0-3.2 3.2=100 HB3 LEU 100 + QD1 LEU 96 OK 46 73 75 84 2.3-4.9 3.2/11388=19, ~11918=19...(25) HG2 LYS 95 - QD1 LEU 96 far 0 98 0 - 7.2-8.4 HG3 LYS 95 - QD1 LEU 96 far 0 96 0 - 7.8-8.3 QB ALA 108 - QD1 LEU 96 far 0 87 0 - 8.6-14.0 HB2 LEU 42 - QD1 LEU 96 far 0 73 0 - 9.4-10.5 QB ALA 29 - QD1 LEU 96 far 0 85 0 - 9.7-20.2 QB ALA 109 - QD1 LEU 96 far 0 97 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3104 from aliabs.peaks (0.75, 0.77, 23.66 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QD1 LEU 96 + QD1 LEU 96 OK 73 73 - 100 Reference assignment not found: QD2 LEU 96 - QD1 LEU 96 Peak 3105 from aliabs.peaks (0.77, 0.77, 23.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 96 + QD1 LEU 96 OK 100 100 - 100 Peak 3106 from aliabs.peaks (8.50, 0.77, 23.66 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + QD1 LEU 96 OK 100 100 100 100 3.3-4.1 3098/2.1=72, 7330/4.6=46...(25) H LEU 100 + QD1 LEU 96 OK 86 98 95 92 3.5-5.0 7388/4.0=21, 3090/2.1=19...(24) H VAL 132 - QD1 LEU 96 far 0 73 0 - 9.9-10.8 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 2.8-2.9 2.8=100 H LEU 100 + HA GLU 97 OK 98 98 100 100 3.1-3.8 3.9/3115=61...(22) Violated in 0 structures by 0.00 A. Peak 3108 from aliabs.peaks (3.76, 3.76, 59.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 97 + HA GLU 97 OK 100 100 - 100 Peak 3109 from aliabs.peaks (2.13, 3.76, 59.92 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 69 - HA GLU 97 far 0 73 0 - 6.3-9.9 HB VAL 126 - HA GLU 97 far 0 71 0 - 8.3-9.6 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 8 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 97 + HA GLU 97 OK 76 76 100 100 2.1-3.9 3.8=100 HB3 LEU 96 - HA GLU 97 far 0 76 0 - 5.0-5.5 HB2 GLN 101 - HA GLU 97 far 0 93 0 - 5.3-7.2 HB3 GLN 104 - HA GLU 97 far 0 100 0 - 7.3-11.5 HB3 GLU 102 - HA GLU 97 far 0 98 0 - 8.2-10.4 HG2 GLN 68 - HA GLU 97 far 0 100 0 - 9.0-12.0 HB2 GLN 68 - HA GLU 97 far 0 100 0 - 9.5-12.3 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 7 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.1-3.9 3.8=100 HB3 GLU 97 + HA GLU 97 OK 76 76 100 100 2.3-3.0 3.0=100 HB3 LEU 96 - HA GLU 97 far 0 100 0 - 5.0-5.5 HB3 GLN 104 - HA GLU 97 far 0 85 0 - 7.3-11.5 HB3 GLU 102 - HA GLU 97 far 0 93 0 - 8.2-10.4 HG2 GLN 68 - HA GLU 97 far 0 65 0 - 9.0-12.0 HB2 GLN 68 - HA GLU 97 far 0 73 0 - 9.5-12.3 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 2.5-4.1 3.8=100 HG2 GLN 101 - HA GLU 97 poor 18 68 45 59 4.2-6.6 4.7/7405=13, 3306/4.9=11...(13) HG2 GLN 104 - HA GLU 97 far 0 81 0 - 6.9-9.4 Violated in 1 structures by 0.01 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 3.9/3115=61...(22) H GLU 97 + HA GLU 97 OK 98 98 100 100 2.8-2.9 2.8=100 H LEU 70 - HA GLU 97 far 8 76 10 - 5.2-7.1 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 2.1-4.2 3.2/10036=56, 3231=37...(24) HB3 LEU 103 - HA GLU 97 far 0 60 0 - 7.2-10.9 HB VAL 93 - HA GLU 97 far 0 99 0 - 7.6-8.5 Violated in 4 structures by 0.03 A. Peak 3116 from aliabs.peaks (1.37, 3.76, 59.92 ppm; 4.39 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 100 + HA GLU 97 OK 100 100 100 100 2.0-4.0 1.8/3115=88...(27) HG LEU 96 + HA GLU 97 OK 73 73 100 100 2.9-3.3 2.1/11809=75...(33) HB2 LEU 96 + HA GLU 97 OK 69 99 70 100 5.0-5.4 3.2/11809=62...(40) HG2 LYS 95 - HA GLU 97 far 0 92 0 - 8.3-9.8 HG3 LYS 95 - HA GLU 97 far 0 96 0 - 8.6-9.5 QB ALA 108 - HA GLU 97 far 0 99 0 - 9.4-15.7 Violated in 0 structures by 0.00 A. Peak 3117 from aliabs.peaks (4.24, 2.13, 28.66 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.84: * HA SER 94 + HB2 GLU 97 OK 84 100 85 99 2.9-5.1 2936=77, 11457/2.9=58...(11) HA SER 99 - HB2 GLU 97 far 0 93 0 - 7.3-8.7 Violated in 9 structures by 0.33 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 2.1-3.6 4.0=100 H LEU 100 - HB2 GLU 97 far 0 98 0 - 5.0-6.1 Violated in 0 structures by 0.00 A. Peak 3119 from aliabs.peaks (3.76, 2.13, 28.66 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 99 - HB2 GLU 97 far 0 100 0 - 6.7-8.7 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 8 assignments used, quality = 1.00: * HB3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 97 + HB2 GLU 97 OK 72 76 100 95 2.2-3.0 2.9=85, 3134/3.0=19...(11) HB2 GLN 101 - HB2 GLU 97 far 0 93 0 - 5.0-8.2 HB3 LEU 96 - HB2 GLU 97 far 0 76 0 - 5.0-7.4 HB3 GLN 104 - HB2 GLU 97 far 0 100 0 - 8.7-13.7 HG2 GLN 68 - HB2 GLU 97 far 0 100 0 - 8.9-13.4 HB3 GLU 102 - HB2 GLU 97 far 0 98 0 - 9.2-12.2 HB2 GLN 68 - HB2 GLU 97 far 0 100 0 - 9.5-14.7 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 7 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 - 5.0-7.4 HB3 GLN 104 - HB2 GLU 97 far 0 85 0 - 8.7-13.7 HG2 GLN 68 - HB2 GLU 97 far 0 65 0 - 8.9-13.4 HB3 GLU 102 - HB2 GLU 97 far 0 93 0 - 9.2-12.2 HB2 GLN 68 - HB2 GLU 97 far 0 73 0 - 9.5-14.7 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 2.2-3.0 2.9=100 HG2 GLN 101 - HB2 GLU 97 far 10 68 15 - 3.6-8.2 HG2 GLN 104 - HB2 GLU 97 far 0 81 0 - 8.3-11.6 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 2.4-4.2 7358=100, 7359/1.8=91...(16) Violated in 0 structures by 0.00 A. Peak 3125 from aliabs.peaks (4.24, 2.22, 28.66 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.98: * HA SER 94 + HB3 GLU 97 OK 95 100 95 100 3.4-5.1 3117/1.8=84...(11) HA SER 99 + HB3 GLU 102 OK 71 83 85 100 2.4-5.3 3207=80, 3332/1.8=70...(10) HA ARG 84 - HB2 GLN 82 far 5 45 10 - 5.0-7.2 HA SER 124 - HB3 GLU 128 far 0 84 0 - 5.5-7.4 HA SER 99 - HB3 GLU 97 far 0 93 0 - 7.4-8.5 Violated in 9 structures by 0.06 A. Peak 3126 from aliabs.peaks (8.50, 2.22, 28.66 ppm; 4.07 A): 1 out of 8 assignments used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.6-3.6 4.0=100 H LEU 100 - HB3 GLU 97 far 10 98 10 - 4.9-5.8 H VAL 132 - HB3 GLU 128 far 6 56 10 - 4.6-6.5 H LEU 100 - HB3 GLU 102 far 4 89 5 - 4.9-7.4 H GLU 97 - HB3 GLU 102 far 0 93 0 - 9.1-12.0 H GLU 97 - HB3 GLU 128 far 0 85 0 - 9.5-11.8 H HIS 4 - HB3 GLU 102 far 0 80 0 - 9.7-70.7 H VAL 132 - HB2 GLN 82 far 0 29 0 - 9.9-12.5 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 9 assignments used, quality = 1.00: * HA GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 99 - HB3 GLU 102 far 5 93 5 - 4.7-7.9 HA THR 83 - HB2 GLN 82 far 0 33 0 - 4.9-6.0 HA VAL 133 - HB2 GLN 82 far 0 46 0 - 6.2-9.8 HB3 SER 130 - HB3 GLU 128 far 0 80 0 - 6.9-8.6 HB2 SER 99 - HB3 GLU 97 far 0 100 0 - 7.0-8.7 HA SER 130 - HB3 GLU 128 far 0 78 0 - 7.5-8.6 HA GLU 97 - HB3 GLU 102 far 0 93 0 - 8.2-10.4 HA VAL 133 - HB3 GLU 128 far 0 83 0 - 9.5-11.4 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 7 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 - 5.6-7.1 HB3 LEU 69 - HB3 GLU 97 far 0 73 0 - 6.5-11.6 HB VAL 126 - HB3 GLU 128 far 0 53 0 - 6.7-8.6 HB3 LEU 69 - HB3 GLU 128 far 0 56 0 - 8.7-13.5 HB2 GLU 97 - HB3 GLU 102 far 0 93 0 - 9.2-12.2 HB VAL 126 - HB3 GLU 97 far 0 71 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 3129 from aliabs.peaks (2.22, 2.22, 28.66 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 97 + HB3 GLU 97 OK 100 100 - 100 HB3 GLU 102 + HB3 GLU 102 OK 89 89 - 100 HB3 GLU 128 + HB3 GLU 128 OK 77 77 - 100 HB2 GLN 82 + HB2 GLN 82 OK 42 42 - 100 Peak 3130 from aliabs.peaks (2.24, 2.22, 28.66 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: HB3 GLU 102 + HB3 GLU 102 OK 83 83 - 100 HB3 GLU 128 + HB3 GLU 128 OK 78 78 - 100 HB3 GLU 97 + HB3 GLU 97 OK 76 76 - 100 Reference assignment not found: HG2 GLU 97 - HB3 GLU 97 Peak 3131 from aliabs.peaks (2.40, 2.22, 28.66 ppm; 3.49 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLU 128 + HB3 GLU 128 OK 62 62 100 100 2.6-3.0 3.0=100 HG2 GLN 101 - HB3 GLU 97 poor 7 68 30 34 3.6-6.8 3112/3.0=8, 7361/7359=7...(8) HG2 GLN 101 - HB3 GLU 102 far 0 59 0 - 4.5-8.1 HG2 GLN 104 - HB3 GLU 102 far 0 70 0 - 6.2-7.2 HG2 GLN 104 - HB3 GLU 97 far 0 81 0 - 7.5-10.7 HG3 GLU 97 - HB3 GLU 102 far 0 93 0 - 9.4-12.9 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 2.4-4.1 4.7=100 H LEU 98 - HB3 GLU 102 far 0 93 0 - 7.5-10.1 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 1.9-4.2 7348/1.8=86, 4.6=80...(22) H LEU 100 - HG2 GLU 97 far 5 98 5 - 5.0-6.7 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 2.1-3.9 3.8=100 HB2 SER 99 - HG2 GLU 97 far 0 100 0 - 6.5-8.9 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 - 5.7-11.9 HB VAL 126 - HG2 GLU 97 far 0 71 0 - 8.6-11.6 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 4 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 - 5.0-8.8 HG2 GLN 104 - HG2 GLU 97 far 0 81 0 - 8.5-12.2 HG3 GLU 128 - HG2 GLU 97 far 0 81 0 - 9.9-12.9 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 1.9-4.6 7359/2.9=95, 7358/2.9=94...(20) 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 1.9-4.1 7348=100, 3133/1.8=80...(20) H LEU 100 - HG3 GLU 97 far 0 98 0 - 5.4-6.9 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 2.5-4.1 3.8=100 HB2 SER 99 - HG3 GLU 97 far 0 100 0 - 6.8-9.7 HA LEU 43 - HG3 GLU 40 far 0 71 0 - 7.8-9.3 HA SER 130 - HG3 GLU 40 far 0 77 0 - 9.3-11.5 HA VAL 133 - HG3 GLU 40 far 0 81 0 - 9.9-13.2 Violated in 1 structures by 0.00 A. Peak 3142 from aliabs.peaks (2.13, 2.40, 35.20 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 69 - HG3 GLU 97 far 0 73 0 - 5.3-12.7 HB VAL 126 - HG3 GLU 97 far 0 71 0 - 9.0-12.4 HB2 PRO 81 - HG3 GLU 40 far 0 83 0 - 9.9-15.8 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 11 assignments used, quality = 1.00: * HB3 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.3-3.0 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 4 76 5 - 4.2-6.9 HB2 GLN 101 - HG3 GLU 97 far 0 93 0 - 6.2-8.7 HB VAL 133 - HG3 GLU 40 far 0 41 0 - 7.6-11.1 HG2 GLN 68 - HG3 GLU 97 far 0 100 0 - 8.9-15.1 HB3 GLU 102 - HG3 GLU 97 far 0 98 0 - 9.4-12.9 HG2 GLU 91 - HG3 GLU 97 far 0 98 0 - 9.6-12.6 HB2 GLN 68 - HG3 GLU 97 far 0 100 0 - 9.7-14.4 HB3 GLN 104 - HG3 GLU 97 far 0 100 0 - 9.9-13.3 HB2 PRO 81 - HG3 GLU 40 far 0 58 0 - 9.9-15.8 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 8 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 75 76 100 98 2.3-3.0 2.9=93, 4.0/7348=23...(11) HB3 LEU 96 - HG3 GLU 97 far 0 100 0 - 4.2-6.9 HG2 GLN 68 - HG3 GLU 97 far 0 65 0 - 8.9-15.1 HB3 GLU 102 - HG3 GLU 97 far 0 93 0 - 9.4-12.9 HB2 GLN 68 - HG3 GLU 97 far 0 73 0 - 9.7-14.4 HB3 GLN 104 - HG3 GLU 97 far 0 85 0 - 9.9-13.3 HB2 PRO 81 - HG3 GLU 40 far 0 44 0 - 9.9-15.8 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 1.9-5.1 3139/1.8=97, 7359/2.9=96...(18) 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 49 far 0 49 0 - 5.8-9.6 HE22 GLN 68 - HA LEU 48 far 0 57 0 - 5.9-9.5 H GLU 55 - HA LEU 49 far 0 85 0 - 7.4-8.5 H GLU 55 - HA LEU 48 far 0 94 0 - 9.5-10.4 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 13 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 62 - HA LEU 49 far 0 85 0 - 5.2-7.3 HB2 LEU 123 - HA LEU 49 far 0 85 0 - 6.7-9.5 HD3 LYS 95 - HA LEU 98 far 0 95 0 - 6.9-10.3 HB2 LEU 69 - HA LEU 49 far 0 84 0 - 6.9-10.2 HD2 LYS 95 - HA LEU 98 far 0 99 0 - 7.0-10.2 HG LEU 62 - HA GLN 104 far 0 54 0 - 8.2-10.2 HG LEU 119 - HA GLN 104 far 0 33 0 - 8.2-12.9 HB2 LEU 69 - HA LEU 48 far 0 94 0 - 8.7-12.2 HG LEU 119 - HA LEU 49 far 0 56 0 - 8.8-12.3 HD3 LYS 26 - HA LEU 48 far 0 82 0 - 9.0-39.9 HG LEU 62 - HA LEU 48 far 0 95 0 - 9.1-11.4 HD2 LYS 24 - HA GLN 104 far 0 45 0 - 9.7-43.5 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 11 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 48 + HA LEU 48 OK 94 94 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 44 50 90 98 3.7-5.0 7488/3.0=58, ~3378=24...(22) HB2 LEU 48 + HA LEU 49 OK 37 84 45 98 3.7-5.5 6598/2.9=53, 3.1/1521=24...(29) HB3 LEU 122 - HA LEU 49 far 0 83 0 - 5.5-10.5 HG LEU 100 - HA LEU 98 far 0 97 0 - 6.7-8.4 HB3 LEU 122 - HA LEU 98 far 0 99 0 - 7.1-10.8 HG LEU 100 - HA GLN 104 far 0 50 0 - 7.3-9.4 HB3 LEU 103 - HA LEU 98 far 0 97 0 - 7.6-11.0 HG LEU 100 - HA LEU 49 far 0 80 0 - 8.2-10.6 HB3 LEU 122 - HA GLN 104 far 0 52 0 - 9.4-11.6 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 7 assignments used, quality = 1.00: * HG LEU 98 + HA LEU 98 OK 100 100 100 100 2.6-3.7 3.7=100 HG LEU 48 + HA LEU 48 OK 94 94 100 100 2.2-4.2 3.7=100 HG LEU 48 - HA LEU 49 far 8 84 10 - 5.1-6.3 HB3 LEU 70 - HA LEU 98 far 0 100 0 - 7.6-9.8 HB2 LEU 70 - HA LEU 98 far 0 100 0 - 8.3-10.4 HB2 LEU 43 - HA LEU 48 far 0 93 0 - 9.5-10.5 HB3 LEU 70 - HA GLN 104 far 0 53 0 - 9.6-14.6 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 15 assignments used, quality = 1.00: * QD1 LEU 98 + HA LEU 98 OK 100 100 100 100 1.9-3.7 4.0=100 QD2 LEU 98 + HA LEU 98 OK 76 76 100 100 1.9-4.1 4.0=100 QD2 LEU 123 - HA LEU 49 poor 15 58 40 66 3.3-7.7 11636/4.8=27...(17) QD2 LEU 69 - HA LEU 49 far 8 83 10 - 4.6-6.7 QG2 VAL 57 - HA LEU 49 far 0 85 0 - 5.1-6.4 QD2 LEU 70 - HA LEU 98 far 0 100 0 - 5.4-6.8 QD2 LEU 123 - HA LEU 48 far 0 67 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 92 0 - 6.2-8.1 QG2 VAL 57 - HA LEU 48 far 0 94 0 - 7.5-8.9 QD2 LEU 70 - HA GLN 104 far 0 54 0 - 8.5-11.2 QD2 LEU 70 - HA LEU 49 far 0 85 0 - 8.6-10.7 QG2 VAL 57 - HA GLN 104 far 0 54 0 - 9.5-11.9 QD2 LEU 69 - HA LEU 98 far 0 99 0 - 9.5-12.6 QD2 LEU 69 - HA GLN 104 far 0 52 0 - 9.8-13.2 QD1 LEU 98 - HA GLN 104 far 0 54 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3153 from aliabs.peaks (0.88, 4.11, 57.89 ppm; 3.68 A): 7 out of 25 assignments used, quality = 1.00: * QD2 LEU 98 + HA LEU 98 OK 100 100 100 100 1.9-4.1 4.0=80, 2.1/3185=78...(17) QD2 LEU 48 + HA LEU 48 OK 86 86 100 100 1.9-3.2 3.8=90, 10961/1615=34...(25) QD1 LEU 98 + HA LEU 98 OK 76 76 100 100 1.9-3.7 4.0=80, 2.1/3193=51...(24) QD2 LEU 48 + HA LEU 49 OK 75 76 100 98 2.3-4.0 1527/2.9=35, 1521=33...(31) QD1 LEU 48 + HA LEU 48 OK 57 57 100 99 3.4-3.8 4.0=76, ~6586=32...(22) QG2 VAL 63 + HA GLN 104 OK 27 27 100 98 1.9-3.7 11523/3.9=35...(20) QD2 LEU 123 + HA LEU 49 OK 22 85 35 73 3.3-7.7 11636/4.8=34...(21) QD1 LEU 48 - HA LEU 49 far 7 49 15 - 2.3-5.8 QD2 LEU 69 - HA LEU 49 far 0 72 0 - 4.6-6.7 QG2 VAL 57 - HA LEU 49 far 0 54 0 - 5.1-6.4 QD2 LEU 70 - HA LEU 98 far 0 71 0 - 5.4-6.8 QG1 VAL 118 - HA GLN 104 far 0 49 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 95 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 82 0 - 6.2-8.1 QG1 VAL 118 - HA LEU 98 far 0 97 0 - 6.4-7.0 QG2 VAL 57 - HA LEU 48 far 0 62 0 - 7.5-8.9 QG1 VAL 118 - HA LEU 49 far 0 79 0 - 8.0-10.1 QG2 VAL 63 - HA LEU 49 far 0 47 0 - 8.1-9.5 QG2 VAL 63 - HA LEU 98 far 0 63 0 - 8.5-10.4 QD2 LEU 70 - HA GLN 104 far 0 32 0 - 8.5-11.2 QD2 LEU 70 - HA LEU 49 far 0 54 0 - 8.6-10.7 QG2 VAL 57 - HA GLN 104 far 0 32 0 - 9.5-11.9 QD2 LEU 69 - HA LEU 98 far 0 90 0 - 9.5-12.6 QD2 LEU 69 - HA GLN 104 far 0 44 0 - 9.8-13.2 QD1 LEU 98 - HA GLN 104 far 0 34 0 - 10.0-13.0 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 3.4-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 81 81 100 100 2.7-2.9 2.9=100 H LEU 123 - HA LEU 49 far 0 56 0 - 6.6-9.2 H LEU 96 - HA LEU 98 far 0 90 0 - 6.7-7.3 H LEU 69 - HA LEU 49 far 0 83 0 - 7.4-9.4 H ALA 110 - HA GLN 104 far 0 33 0 - 7.7-11.3 H VAL 126 - HA LEU 49 far 0 78 0 - 7.9-10.0 H LEU 69 - HA LEU 48 far 0 92 0 - 9.5-11.8 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 3.5-4.5 7418/3157=84...(21) H CYS 45 - HA LEU 48 far 0 95 0 - 7.0-7.9 H LYS 95 - HA LEU 98 far 0 93 0 - 7.0-7.8 H GLN 101 - HA GLN 104 far 0 54 0 - 7.2-8.3 H CYS 45 - HA LEU 49 far 0 85 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 3156 from aliabs.peaks (2.21, 4.11, 57.89 ppm; 3.89 A): 4 out of 16 assignments used, quality = 0.97: HB3 GLU 97 + HA LEU 98 OK 78 93 85 98 3.8-5.6 7359/2.9=55, ~7358=37...(17) * HB2 GLN 101 + HA LEU 98 OK 60 100 60 100 4.3-5.1 1.8/3157=73...(17) HB2 GLN 104 + HA GLN 104 OK 42 42 100 100 2.3-3.0 3.0=100 HB3 GLN 104 + HA GLN 104 OK 41 41 100 100 2.2-2.7 3.0=100 HB3 GLU 102 - HA LEU 98 far 0 76 0 - 5.9-8.3 HG2 GLN 68 - HA LEU 49 far 0 80 0 - 6.9-10.8 HB2 GLN 101 - HA GLN 104 far 0 54 0 - 7.0-8.8 HB3 GLN 68 - HA LEU 49 far 0 54 0 - 7.3-11.0 HB3 GLU 102 - HA GLN 104 far 0 34 0 - 7.5-8.4 HG2 GLN 68 - HA LEU 48 far 0 90 0 - 8.1-11.4 HB2 GLN 68 - HA LEU 49 far 0 76 0 - 8.1-11.2 HB3 GLN 104 - HA LEU 98 far 0 87 0 - 8.2-11.4 HB3 GLN 127 - HA LEU 49 far 0 70 0 - 8.4-11.2 HB3 GLN 68 - HA LEU 48 far 0 62 0 - 9.1-11.9 HB2 GLN 104 - HA LEU 98 far 0 89 0 - 9.6-11.3 HB2 GLN 68 - HA LEU 48 far 0 86 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3157 from aliabs.peaks (2.30, 4.11, 57.89 ppm; 4.05 A): 1 out of 9 assignments used, quality = 0.95: * HB3 GLN 101 + HA LEU 98 OK 95 100 95 100 3.0-5.1 3295=49, 7418/3155=48...(19) HG2 GLU 102 - HA LEU 98 poor 13 65 20 - 4.1-7.0 HG2 GLN 61 - HA LEU 49 far 0 66 0 - 5.2-8.8 HG3 GLN 68 - HA LEU 49 far 0 68 0 - 6.5-9.4 HG2 GLU 102 - HA GLN 104 far 0 29 0 - 7.5-10.2 HG2 GLU 44 - HA LEU 48 far 0 83 0 - 7.6-9.6 HG2 GLN 61 - HA LEU 48 far 0 76 0 - 7.7-11.1 HB3 GLN 101 - HA GLN 104 far 0 54 0 - 7.8-9.1 HG3 GLN 68 - HA LEU 48 far 0 78 0 - 8.1-10.1 Violated in 2 structures by 0.06 A. Peak 3158 from aliabs.peaks (4.02, 1.65, 41.87 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.50: * HA LYS 95 + HB2 LEU 98 OK 50 100 50 99 2.4-5.1 2963/1.8=70...(15) HA LEU 96 - HB2 LEU 98 far 0 60 0 - 4.8-7.3 HB3 SER 99 - HB2 LEU 98 far 0 65 0 - 5.1-6.9 HA LEU 122 - HB2 LEU 98 far 0 92 0 - 5.7-10.0 HA GLU 102 - HB2 LEU 98 far 0 73 0 - 6.1-9.3 HA LEU 103 - HB2 LEU 98 far 0 97 0 - 9.0-10.9 Violated in 14 structures by 0.68 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 2.2-3.6 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 2.3-3.0 3.0=100 HA GLN 101 - HB2 LEU 98 far 0 100 0 - 7.3-8.4 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 - 6.1-11.4 HG LEU 100 - HB2 LEU 98 far 0 97 0 - 6.9-10.3 HB3 LEU 103 - HB2 LEU 98 far 0 97 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 3163 from aliabs.peaks (1.71, 1.65, 41.87 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 70 - HB2 LEU 98 far 0 100 0 - 8.1-11.6 HB2 LEU 70 - HB2 LEU 98 far 0 100 0 - 9.4-12.3 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 2.1-3.2 3.1=100 QD2 LEU 98 + HB2 LEU 98 OK 76 76 100 100 2.0-2.7 3.1=100 QD2 LEU 70 - HB2 LEU 98 far 0 100 0 - 6.5-8.1 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 5 assignments used, quality = 1.00: * QD2 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 QD1 LEU 98 + HB2 LEU 98 OK 76 76 100 100 2.1-3.2 3.1=100 QG1 VAL 118 - HB2 LEU 98 far 0 97 0 - 6.1-7.5 QD2 LEU 70 - HB2 LEU 98 far 0 71 0 - 6.5-8.1 QG2 VAL 63 - HB2 LEU 98 far 0 63 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 3166 from aliabs.peaks (8.29, 1.65, 41.87 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: * H SER 99 + HB2 LEU 98 OK 100 100 100 100 2.1-4.1 4.6=82, 7375/7363=61...(17) H LEU 96 + HB2 LEU 98 OK 21 90 25 93 4.8-7.4 3.6/3158=63...(18) H VAL 126 - HB2 LEU 98 far 0 96 0 - 8.8-12.5 H LEU 123 - HB2 LEU 98 far 0 73 0 - 8.8-13.2 Violated in 0 structures by 0.00 A. Peak 3167 from aliabs.peaks (4.02, 1.78, 41.87 ppm; 4.15 A): 6 out of 25 assignments used, quality = 1.00: * HA LYS 95 + HB3 LEU 98 OK 100 100 100 100 2.9-4.4 2963=100, 3158/1.8=84...(21) HA LEU 122 + HB3 LEU 122 OK 85 85 100 100 2.3-3.0 3.0=100 HA LEU 103 + HB3 LEU 103 OK 70 70 100 100 2.3-3.0 3.0=100 HA LEU 119 + HB3 LEU 122 OK 52 96 55 99 3.0-5.7 3764=95, 3762/3.5=41...(22) HB3 SER 99 + HB3 LEU 122 OK 43 59 75 98 1.9-6.4 ~11479=27, ~3208=23...(24) HA LEU 96 + HB3 LEU 122 OK 28 54 55 96 3.1-6.4 10397/11678=20...(47) HA LEU 96 - HB3 LEU 98 poor 15 60 25 - 4.6-6.8 HA GLU 44 - HB2 LEU 48 far 7 73 10 - 4.7-7.3 HB3 SER 99 - HB3 LEU 98 far 7 65 10 - 3.7-6.8 HB3 SER 99 - HB3 LEU 103 far 2 42 5 - 4.6-7.5 HA LEU 119 - HB3 LEU 103 far 0 75 0 - 5.3-8.2 HA GLU 102 - HB3 LEU 103 far 0 48 0 - 5.5-6.6 HA LEU 122 - HB3 LEU 98 far 0 92 0 - 5.7-9.2 HA SER 60 - HB3 LEU 103 far 0 64 0 - 5.9-9.2 HA GLU 102 - HB3 LEU 98 far 0 73 0 - 6.4-9.1 HA SER 50 - HB3 LEU 122 far 0 56 0 - 6.5-10.9 HA LEU 103 - HB3 LEU 122 far 0 91 0 - 6.5-9.7 HA LYS 95 - HB3 LEU 122 far 0 96 0 - 7.0-11.0 HB3 SER 124 - HB3 LEU 122 far 0 89 0 - 7.1-8.4 HA SER 50 - HB2 LEU 48 far 0 50 0 - 7.2-8.5 HA LEU 122 - HB3 LEU 103 far 0 64 0 - 7.2-10.1 HA LEU 96 - HB3 LEU 103 far 0 38 0 - 7.4-11.0 HA GLU 102 - HB3 LEU 122 far 0 66 0 - 8.3-12.4 HA GLN 68 - HB2 LEU 48 far 0 63 0 - 9.1-11.8 HA LEU 103 - HB3 LEU 98 far 0 97 0 - 9.2-11.4 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 2.2-3.6 3.9=100 HE22 GLN 68 - HB2 LEU 48 poor 18 52 35 - 3.2-7.4 H LEU 98 - HB3 LEU 122 far 0 96 0 - 5.8-9.4 H LEU 98 - HB3 LEU 103 far 0 76 0 - 8.2-11.9 HE22 GLN 68 - HB3 LEU 122 far 0 59 0 - 9.3-14.8 H GLU 55 - HB3 LEU 122 far 0 96 0 - 9.5-14.9 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 15 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 48 + HB2 LEU 48 OK 87 87 100 100 2.4-3.0 3.0=100 HA CYS 45 + HB2 LEU 48 OK 85 85 100 100 2.5-4.3 1437=78, 1438/1.8=68...(13) HA GLN 104 + HB3 LEU 103 OK 56 59 95 99 3.7-5.0 3.0/7488=62, 11431=34...(24) HA LEU 49 + HB2 LEU 48 OK 39 89 45 99 3.7-5.5 2.9/6598=58...(29) HA GLN 101 - HB3 LEU 103 far 0 76 0 - 5.1-7.6 HA LEU 49 - HB3 LEU 122 far 0 96 0 - 5.5-10.5 HA ALA 52 - HB2 LEU 48 far 0 57 0 - 6.6-9.1 HA LEU 98 - HB3 LEU 122 far 0 96 0 - 7.1-10.8 HA LEU 98 - HB3 LEU 103 far 0 76 0 - 7.6-11.0 HA GLN 101 - HB3 LEU 122 far 0 96 0 - 7.6-11.4 HA GLN 101 - HB3 LEU 98 far 0 100 0 - 7.7-8.7 HA ALA 52 - HB3 LEU 122 far 0 64 0 - 8.7-13.9 HA3 GLY 114 - HB3 LEU 103 far 0 61 0 - 9.3-14.8 HA GLN 104 - HB3 LEU 122 far 0 80 0 - 9.4-11.6 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 18 assignments used, quality = 1.00: * HB2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 119 - HB3 LEU 103 far 2 48 5 - 3.9-10.0 HB2 LEU 123 - HB3 LEU 122 far 0 96 0 - 4.6-6.9 HD3 LYS 95 - HB3 LEU 98 far 0 95 0 - 4.7-8.0 HD2 LYS 95 - HB3 LEU 98 far 0 99 0 - 5.2-8.5 HG LEU 119 - HB3 LEU 122 far 0 66 0 - 5.7-9.1 HB2 LEU 98 - HB3 LEU 122 far 0 96 0 - 6.1-11.4 HG LEU 62 - HB3 LEU 103 far 0 75 0 - 6.4-9.2 HB2 LEU 69 - HB2 LEU 48 far 0 88 0 - 6.8-11.4 HG LEU 62 - HB3 LEU 122 far 0 96 0 - 6.9-10.5 HB2 LEU 69 - HB3 LEU 122 far 0 95 0 - 7.6-11.8 HG LEU 62 - HB2 LEU 48 far 0 89 0 - 7.7-12.4 HD3 LYS 26 - HB2 LEU 48 far 0 75 0 - 8.6-37.3 HB2 LEU 98 - HB3 LEU 103 far 0 76 0 - 8.9-11.7 HD2 LYS 95 - HB3 LEU 122 far 0 93 0 - 9.5-13.3 HD2 LYS 26 - HB2 LEU 48 far 0 80 0 - 9.5-38.2 HD3 LYS 95 - HB3 LEU 122 far 0 88 0 - 9.6-13.4 HB2 LEU 123 - HB3 LEU 103 far 0 75 0 - 9.9-13.5 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 10 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 48 + HB2 LEU 48 OK 88 88 100 100 2.3-3.0 3.0=100 HG LEU 98 - HB3 LEU 122 far 0 96 0 - 7.0-11.7 HG LEU 98 - HB3 LEU 103 far 0 76 0 - 7.9-12.9 HB3 LEU 70 - HB3 LEU 122 far 0 95 0 - 8.4-11.1 HB3 LEU 70 - HB3 LEU 103 far 0 74 0 - 8.4-14.9 HB2 LEU 43 - HB2 LEU 48 far 0 87 0 - 8.5-10.5 HB3 LEU 70 - HB3 LEU 98 far 0 100 0 - 9.1-11.6 HB2 LEU 70 - HB3 LEU 103 far 0 75 0 - 9.6-15.5 HB2 LEU 70 - HB3 LEU 122 far 0 95 0 - 9.9-12.4 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 19 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 76 76 100 100 2.0-3.2 3.1=100 QD2 LEU 69 - HB2 LEU 48 poor 12 86 25 56 4.3-6.9 11044/10991=35...(3) QD2 LEU 123 - HB3 LEU 122 far 7 69 10 - 4.5-7.6 QD2 LEU 70 - HB3 LEU 122 far 0 96 0 - 5.2-7.9 QD2 LEU 123 - HB2 LEU 48 far 0 61 0 - 5.9-11.3 QD2 LEU 69 - HB3 LEU 122 far 0 94 0 - 6.3-8.6 QD2 LEU 70 - HB3 LEU 98 far 0 100 0 - 6.3-7.6 QD1 LEU 98 - HB3 LEU 103 far 0 76 0 - 6.5-11.5 QD2 LEU 70 - HB3 LEU 103 far 0 75 0 - 6.8-10.3 QG2 VAL 57 - HB2 LEU 48 far 0 88 0 - 7.1-10.1 QD2 LEU 98 - HB3 LEU 122 far 0 69 0 - 7.2-10.4 QD1 LEU 98 - HB3 LEU 122 far 0 96 0 - 7.3-10.9 QG2 VAL 57 - HB3 LEU 103 far 0 75 0 - 7.5-10.5 QG2 VAL 57 - HB3 LEU 122 far 0 96 0 - 7.8-11.2 QD2 LEU 69 - HB3 LEU 103 far 0 73 0 - 8.3-12.4 QD2 LEU 98 - HB3 LEU 103 far 0 50 0 - 8.5-11.7 QD2 LEU 70 - HB2 LEU 48 far 0 88 0 - 9.1-11.9 QD2 LEU 123 - HB3 LEU 103 far 0 50 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 3174 from aliabs.peaks (0.88, 1.78, 41.87 ppm; 3.63 A): 7 out of 30 assignments used, quality = 1.00: * QD2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 84 90 100 93 2.5-4.1 11748/3.5=36, 390/1.8=18...(26) QD2 LEU 48 + HB2 LEU 48 OK 80 80 100 100 2.1-3.2 3.1=100 QD1 LEU 98 + HB3 LEU 98 OK 76 76 100 100 2.1-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 103 OK 69 69 100 100 2.4-4.1 2.1/11916=53...(28) QD1 LEU 48 + HB2 LEU 48 OK 52 52 100 100 2.1-3.1 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 37 40 95 96 2.0-4.8 ~10972=33, 2.1/10963=27...(20) QD2 LEU 69 - HB2 LEU 48 poor 15 75 20 - 4.3-6.9 QD2 LEU 123 - HB3 LEU 122 far 5 96 5 - 4.5-7.6 QD2 LEU 70 - HB3 LEU 122 far 0 64 0 - 5.2-7.9 QD2 LEU 123 - HB2 LEU 48 far 0 89 0 - 5.9-11.3 QG1 VAL 118 - HB3 LEU 98 far 0 97 0 - 6.0-7.8 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 6.3-8.6 QD2 LEU 70 - HB3 LEU 98 far 0 71 0 - 6.3-7.6 QG2 VAL 63 - HB3 LEU 122 far 0 56 0 - 6.4-7.9 QD1 LEU 98 - HB3 LEU 103 far 0 50 0 - 6.5-11.5 QD2 LEU 70 - HB3 LEU 103 far 0 46 0 - 6.8-10.3 QG2 VAL 57 - HB2 LEU 48 far 0 57 0 - 7.1-10.1 QD2 LEU 98 - HB3 LEU 122 far 0 96 0 - 7.2-10.4 QD1 LEU 98 - HB3 LEU 122 far 0 69 0 - 7.3-10.9 QG2 VAL 57 - HB3 LEU 103 far 0 46 0 - 7.5-10.5 QG2 VAL 57 - HB3 LEU 122 far 0 64 0 - 7.8-11.2 QD2 LEU 69 - HB3 LEU 103 far 0 62 0 - 8.3-12.4 QD2 LEU 48 - HB3 LEU 122 far 0 88 0 - 8.5-12.2 QD2 LEU 98 - HB3 LEU 103 far 0 76 0 - 8.5-11.7 QD1 LEU 48 - HB3 LEU 122 far 0 59 0 - 8.6-13.0 QD2 LEU 70 - HB2 LEU 48 far 0 57 0 - 9.1-11.9 QD2 LEU 123 - HB3 LEU 103 far 0 76 0 - 9.2-12.2 QG2 VAL 63 - HB3 LEU 98 far 0 63 0 - 9.6-11.9 QG2 VAL 63 - HB2 LEU 48 far 0 50 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3175 from aliabs.peaks (8.29, 1.78, 41.87 ppm; 4.74 A): 6 out of 19 assignments used, quality = 1.00: * H SER 99 + HB3 LEU 98 OK 100 100 100 100 2.1-3.7 4.6=100 H LEU 49 + HB2 LEU 48 OK 84 84 100 100 2.1-3.9 4.6=100 H VAL 126 + HB3 LEU 122 OK 69 89 80 97 5.0-5.9 10405/1.8=55...(16) H LEU 123 + HB3 LEU 122 OK 66 66 100 100 2.6-4.1 4.3=100 H SER 99 + HB3 LEU 122 OK 51 96 55 97 3.9-7.7 11382/3.1=33...(25) H LEU 96 + HB3 LEU 98 OK 26 90 30 96 5.2-7.0 3.6/2963=70, 3.7/9998=31...(10) H LEU 96 - HB3 LEU 122 far 0 83 0 - 5.8-8.9 H SER 99 - HB3 LEU 103 far 0 76 0 - 6.2-9.5 H LEU 69 - HB2 LEU 48 far 0 86 0 - 6.9-10.6 H LEU 49 - HB3 LEU 122 far 0 92 0 - 7.0-11.8 H ALA 110 - HB3 LEU 103 far 0 48 0 - 7.7-13.3 H LEU 123 - HB3 LEU 103 far 0 48 0 - 8.4-11.0 H LEU 123 - HB3 LEU 98 far 0 73 0 - 8.7-12.6 H LEU 69 - HB3 LEU 122 far 0 94 0 - 8.8-11.2 H LEU 43 - HB2 LEU 48 far 0 88 0 - 8.8-10.6 H VAL 126 - HB3 LEU 98 far 0 96 0 - 8.9-11.3 H LEU 69 - HB3 LEU 103 far 0 73 0 - 9.8-14.2 H LEU 96 - HB3 LEU 103 far 0 62 0 - 9.9-13.6 H LEU 123 - HB2 LEU 48 far 0 59 0 - 10.0-14.2 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 1.8-3.1 7365=100, 3192/2.1=86...(22) HE22 GLN 68 - HG LEU 48 far 9 62 15 - 4.7-8.1 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 2.6-3.7 3.7=100 HA LEU 48 + HG LEU 48 OK 97 97 100 100 2.2-4.2 3.7=100 HA CYS 45 + HG LEU 48 OK 66 96 70 99 3.7-5.5 10886=51, 1438/3.0=50...(11) HA LEU 49 - HG LEU 48 far 0 98 0 - 5.1-6.3 HA ALA 52 - HG LEU 48 far 0 67 0 - 7.2-8.6 HA GLN 101 - HG LEU 98 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 3178 from aliabs.peaks (1.65, 1.71, 26.70 ppm; 4.74 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 95 + HG LEU 98 OK 52 99 65 81 3.8-7.2 5.0/11468=52...(13) HD3 LYS 95 + HG LEU 98 OK 50 95 65 81 3.6-7.4 5.0/11468=52...(13) HD3 LYS 26 - HG LEU 48 far 0 86 0 - 6.8-38.7 HD2 LYS 26 - HG LEU 48 far 0 91 0 - 8.4-39.7 HB2 LEU 69 - HG LEU 48 far 0 98 0 - 8.9-11.9 HG LEU 62 - HG LEU 48 far 0 98 0 - 9.7-11.5 HD3 LYS 24 - HG LEU 48 far 0 96 0 - 10.0-36.0 Violated in 0 structures by 0.00 A. Peak 3179 from aliabs.peaks (1.78, 1.71, 26.70 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + HG LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 48 + HG LEU 48 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LEU 122 - HG LEU 98 far 0 99 0 - 7.0-11.7 HG LEU 100 - HG LEU 98 far 0 97 0 - 7.7-9.8 HB3 LEU 103 - HG LEU 98 far 0 97 0 - 7.9-12.9 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 8 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 70 - HG LEU 98 far 0 100 0 - 5.8-7.0 QD2 LEU 69 - HG LEU 48 far 0 96 0 - 5.9-8.6 QD2 LEU 123 - HG LEU 48 far 0 72 0 - 7.7-11.7 QG2 VAL 57 - HG LEU 48 far 0 98 0 - 8.2-9.4 QD1 LEU 22 - HG LEU 48 far 0 59 0 - 8.3-34.4 QD2 LEU 69 - HG LEU 98 far 0 99 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3182 from aliabs.peaks (0.88, 1.71, 26.70 ppm; 3.27 A): 4 out of 11 assignments used, quality = 1.00: * QD2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 48 OK 91 91 100 100 2.1-2.1 2.1=100 QD1 LEU 98 + HG LEU 98 OK 76 76 100 100 2.1-2.1 2.1=100 QD1 LEU 48 + HG LEU 48 OK 62 62 100 100 2.1-2.1 2.1=100 QG1 VAL 118 - HG LEU 98 far 0 97 0 - 5.7-8.7 QD2 LEU 70 - HG LEU 98 far 0 71 0 - 5.8-7.0 QD2 LEU 69 - HG LEU 48 far 0 86 0 - 5.9-8.6 QD2 LEU 123 - HG LEU 48 far 0 98 0 - 7.7-11.7 QG2 VAL 57 - HG LEU 48 far 0 67 0 - 8.2-9.4 QD1 LEU 22 - HG LEU 48 far 0 97 0 - 8.3-34.4 QD2 LEU 69 - HG LEU 98 far 0 90 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3183 from aliabs.peaks (8.29, 1.71, 26.70 ppm; 4.95 A): 3 out of 6 assignments used, quality = 1.00: * H SER 99 + HG LEU 98 OK 100 100 100 100 1.9-4.7 7375/3176=76...(17) H LEU 49 + HG LEU 48 OK 95 95 100 100 4.3-5.0 6600=97, 6589/6586=79...(38) H LEU 96 + HG LEU 98 OK 85 90 95 99 4.3-5.9 3.6/11468=77...(17) H VAL 126 - HG LEU 98 far 0 96 0 - 8.6-11.5 H LEU 123 - HG LEU 98 far 0 73 0 - 8.9-13.1 H LEU 69 - HG LEU 48 far 0 96 0 - 9.0-10.8 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 2.1-4.1 3176/2.1=90, 2.9/3185=87...(26) Violated in 0 structures by 0.00 A. Peak 3185 from aliabs.peaks (4.11, 0.86, 23.69 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 98 + QD1 LEU 98 OK 99 100 100 99 1.9-3.7 4.0=57, 2.9/3184=33...(24) HA GLN 101 - QD1 LEU 98 far 0 100 0 - 6.4-8.2 HA GLN 104 - QD1 LEU 98 far 0 87 0 - 10.0-13.0 Violated in 2 structures by 0.02 A. Peak 3186 from aliabs.peaks (1.65, 0.86, 23.69 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.1-3.2 3.1=100 HD2 LYS 95 - QD1 LEU 98 far 15 99 15 - 4.0-7.7 HD3 LYS 95 - QD1 LEU 98 far 14 95 15 - 3.1-7.8 HG LEU 119 - QD1 LEU 98 far 0 73 0 - 9.5-14.9 HB2 LEU 69 - QD1 LEU 98 far 0 100 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 3187 from aliabs.peaks (1.78, 0.86, 23.69 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 103 - QD1 LEU 98 far 0 97 0 - 6.5-11.5 HG LEU 100 - QD1 LEU 98 far 0 97 0 - 7.1-9.3 HB3 LEU 122 - QD1 LEU 98 far 0 99 0 - 7.3-10.9 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 HB3 LEU 70 - QD1 LEU 98 far 0 100 0 - 6.1-10.2 HB2 LEU 70 - QD1 LEU 98 far 0 100 0 - 6.7-11.1 HG3 ARG 90 - QD1 LEU 98 far 0 63 0 - 9.1-12.9 Violated in 0 structures by 0.00 A. Peak 3189 from aliabs.peaks (0.86, 0.86, 23.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 98 + QD1 LEU 98 OK 100 100 - 100 Peak 3190 from aliabs.peaks (0.88, 0.86, 23.69 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 98 + QD1 LEU 98 OK 76 76 - 100 Reference assignment not found: QD2 LEU 98 - QD1 LEU 98 Peak 3191 from aliabs.peaks (8.29, 0.86, 23.69 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * H SER 99 + QD1 LEU 98 OK 100 100 100 100 3.0-4.7 3.6/3185=75...(18) H LEU 96 + QD1 LEU 98 OK 30 90 35 94 5.1-6.8 3.6/11469=65...(17) H LEU 123 - QD1 LEU 98 far 0 73 0 - 8.4-12.0 H VAL 126 - QD1 LEU 98 far 0 96 0 - 8.9-11.2 Violated in 2 structures by 0.00 A. Peak 3192 from aliabs.peaks (7.75, 0.88, 24.09 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.6-3.7 3176/2.1=71, 7364/3.1=59...(17) HE22 GLN 68 - QD2 LEU 48 poor 11 42 25 - 4.0-7.4 H GLU 55 - QD2 LEU 48 far 0 75 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 3193 from aliabs.peaks (4.11, 0.88, 24.09 ppm; 3.11 A): 3 out of 6 assignments used, quality = 0.98: * HA LEU 98 + QD2 LEU 98 OK 83 100 85 97 1.9-4.1 4.0=48, 2.9/3192=39...(17) HA LEU 48 + QD2 LEU 48 OK 71 73 100 97 1.9-3.2 3.8=55, 1615/10961=23...(23) HA LEU 49 + QD2 LEU 48 OK 69 75 100 92 2.3-4.0 2.9/1527=20, 1542=20...(28) HA CYS 45 - QD2 LEU 48 far 0 72 0 - 4.4-5.4 HA ALA 52 - QD2 LEU 48 far 0 46 0 - 4.4-5.2 HA GLN 101 - QD2 LEU 98 far 0 100 0 - 6.3-8.9 Violated in 0 structures by 0.00 A. Peak 3194 from aliabs.peaks (1.65, 0.88, 24.09 ppm; 3.38 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 HD3 LYS 95 + QD2 LEU 98 OK 44 95 75 61 2.3-5.8 5.0/11470=27...(8) HD2 LYS 95 + QD2 LEU 98 OK 40 99 65 62 2.3-5.6 5.0/11470=27...(8) HD3 LYS 26 - QD2 LEU 48 far 0 62 0 - 5.7-32.6 HD2 LYS 26 - QD2 LEU 48 far 0 67 0 - 6.2-33.4 HG LEU 62 - QD2 LEU 48 far 0 75 0 - 6.3-8.1 HB2 LEU 69 - QD2 LEU 48 far 0 75 0 - 7.5-10.2 HB2 LEU 123 - QD2 LEU 48 far 0 75 0 - 9.5-11.4 HD3 LYS 24 - QD2 LEU 48 far 0 73 0 - 9.6-31.6 HD2 LYS 24 - QD2 LEU 48 far 0 64 0 - 9.8-32.8 QB ALA 88 - QD2 LEU 98 far 0 89 0 - 9.9-11.2 HB2 LEU 69 - QD2 LEU 98 far 0 100 0 - 10.0-13.4 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 7 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 99 100 100 99 2.0-3.2 3.1=99 HB2 LEU 48 + QD2 LEU 48 OK 74 75 100 100 2.1-3.2 3.1=98, 6584/5.0=21...(21) HB3 LEU 122 - QD2 LEU 98 far 0 99 0 - 7.2-10.4 HG LEU 100 - QD2 LEU 98 far 0 97 0 - 7.7-9.6 HB3 LEU 122 - QD2 LEU 48 far 0 73 0 - 8.5-12.2 HB3 LEU 103 - QD2 LEU 98 far 0 97 0 - 8.5-11.7 HG LEU 100 - QD2 LEU 48 far 0 70 0 - 9.7-11.4 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 HB3 LEU 70 - QD2 LEU 98 far 0 100 0 - 7.4-10.8 HB2 LEU 70 - QD2 LEU 98 far 0 100 0 - 8.4-11.3 HG3 ARG 90 - QD2 LEU 98 far 0 63 0 - 9.2-11.5 HB2 LEU 43 - QD2 LEU 48 far 0 73 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3197 from aliabs.peaks (0.86, 0.88, 24.09 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 98 + QD2 LEU 98 OK 76 76 - 100 Reference assignment not found: QD1 LEU 98 - QD2 LEU 98 Peak 3198 from aliabs.peaks (0.88, 0.88, 24.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 98 + QD2 LEU 98 OK 100 100 - 100 QD2 LEU 48 + QD2 LEU 48 OK 67 67 - 100 Peak 3199 from aliabs.peaks (8.29, 0.88, 24.09 ppm; 4.25 A): 3 out of 7 assignments used, quality = 1.00: * H SER 99 + QD2 LEU 98 OK 99 100 100 99 3.7-4.7 7375/3192=58...(19) H LEU 49 + QD2 LEU 48 OK 71 71 100 100 3.2-4.0 6598/3.1=60, 6600/2.1=59...(33) H LEU 96 + QD2 LEU 98 OK 56 90 65 96 4.5-5.4 3.6/11470=70...(20) H LEU 69 - QD2 LEU 48 far 0 73 0 - 7.4-9.4 H VAL 126 - QD2 LEU 98 far 0 96 0 - 8.0-9.9 H LEU 123 - QD2 LEU 98 far 0 73 0 - 8.6-10.9 H LEU 123 - QD2 LEU 48 far 0 48 0 - 9.5-11.4 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 2.8-2.9 2.9=100 H LEU 96 - HA SER 99 far 0 90 0 - 7.4-8.4 H LEU 123 - HA SER 99 far 0 73 0 - 7.4-9.5 H VAL 126 - HA SER 99 far 0 96 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 3201 from aliabs.peaks (4.22, 4.22, 62.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + HA SER 99 OK 100 100 - 100 Peak 3202 from aliabs.peaks (3.76, 4.22, 62.42 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 97 - HA SER 99 far 0 100 0 - 6.2-6.8 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 7 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 - HA SER 99 far 0 89 0 - 5.5-6.9 HA LYS 95 - HA SER 99 far 0 65 0 - 6.3-7.8 HB3 SER 106 - HA SER 99 far 0 87 0 - 6.3-10.7 HA LEU 119 - HA SER 99 far 0 63 0 - 7.3-8.7 HB2 SER 124 - HA SER 99 far 0 99 0 - 9.7-12.1 HB3 SER 94 - HA SER 99 far 0 71 0 - 9.9-11.8 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 3 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 - 6.8-7.4 H HIS 4 - HA SER 99 far 0 71 0 - 8.3-69.9 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 3.2-3.8 7443=100, 7455/3332=100...(16) Violated in 0 structures by 0.00 A. Peak 3206 from aliabs.peaks (2.08, 4.22, 62.42 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 102 + HA SER 99 OK 100 100 100 100 2.3-4.4 3332=100, 1.8/3207=85...(11) HB VAL 118 + HA SER 99 OK 22 90 25 100 5.4-6.2 2.1/11482=79...(12) HG2 PRO 117 - HA SER 99 far 0 57 0 - 6.0-8.3 HG3 PRO 117 - HA SER 99 far 0 57 0 - 7.6-10.0 HB2 LEU 62 - HA SER 99 far 0 73 0 - 9.1-11.4 HB VAL 126 - HA SER 99 far 0 65 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3207 from aliabs.peaks (2.23, 4.22, 62.42 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.95: * HB3 GLU 102 + HA SER 99 OK 95 100 95 100 2.4-5.3 1.8/3332=85, 3340=53...(10) HB2 GLN 101 - HA SER 99 far 0 76 0 - 6.4-7.6 HG2 GLU 97 - HA SER 99 far 0 93 0 - 7.1-9.1 HB3 GLU 97 - HA SER 99 far 0 98 0 - 7.4-8.5 HB3 GLN 104 - HA SER 99 far 0 100 0 - 7.5-10.5 HB3 LEU 96 - HA SER 99 far 0 93 0 - 8.2-9.0 Violated in 13 structures by 0.36 A. Peak 3208 from aliabs.peaks (4.05, 3.76, 63.23 ppm; 4.07 A): 2 out of 6 assignments used, quality = 0.97: HA LEU 122 + HB2 SER 99 OK 86 93 95 97 2.1-5.0 3.9/11479=33...(28) * HA LEU 96 + HB2 SER 99 OK 79 100 95 83 3.1-5.0 3214/1.8=29, 7388/4.5=19...(16) HA LEU 119 - HB2 SER 99 far 0 63 0 - 5.1-7.3 HA LYS 95 - HB2 SER 99 far 0 60 0 - 5.4-8.2 HA GLU 102 - HB2 SER 99 far 0 100 0 - 7.4-8.6 HA ALA 92 - HB2 SER 99 far 0 100 0 - 8.9-11.1 Violated in 1 structures by 0.01 A. Peak 3210 from aliabs.peaks (4.22, 3.76, 63.23 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + HB2 SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 94 - HB2 SER 99 far 0 93 0 - 8.7-10.4 HA SER 124 - HB2 SER 99 far 0 85 0 - 8.7-10.6 HA HIS 67 - HB2 SER 99 far 0 89 0 - 8.9-11.2 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 LEU 119 - HB2 SER 99 far 0 63 0 - 5.1-7.3 HA LYS 95 - HB2 SER 99 far 0 65 0 - 5.4-8.2 HA LEU 103 - HB2 SER 99 far 0 89 0 - 6.1-8.3 HB2 SER 124 - HB2 SER 99 far 0 99 0 - 7.2-9.9 HB3 SER 124 - HB2 SER 99 far 0 92 0 - 7.9-10.2 HB3 SER 106 - HB2 SER 99 far 0 87 0 - 8.0-12.7 HB3 SER 94 - HB2 SER 99 far 0 71 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 3214 from aliabs.peaks (4.05, 4.00, 63.23 ppm; 4.74 A): 2 out of 6 assignments used, quality = 0.99: HA LEU 122 + HB3 SER 99 OK 92 93 100 99 2.9-4.8 3208/1.8=48...(18) * HA LEU 96 + HB3 SER 99 OK 90 100 100 90 2.9-5.6 3208/1.8=45...(14) HA LEU 119 - HB3 SER 99 poor 16 63 25 - 5.3-8.0 HA LYS 95 - HB3 SER 99 far 6 60 10 - 4.7-8.2 HA GLU 102 - HB3 SER 99 far 0 100 0 - 6.8-8.4 HA ALA 92 - HB3 SER 99 far 0 100 0 - 8.5-11.7 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 2.1-3.6 3.7=100 H LEU 123 - HB3 SER 99 far 7 73 10 - 4.9-7.4 H LEU 96 - HB3 SER 99 far 5 90 5 - 5.0-8.2 H VAL 126 - HB3 SER 99 far 0 96 0 - 6.8-8.5 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 2.3-3.0 3.0=100 HA SER 94 - HB3 SER 99 far 0 93 0 - 7.8-10.9 HA HIS 67 - HB3 SER 99 far 0 89 0 - 9.0-11.9 HA SER 124 - HB3 SER 99 far 0 85 0 - 9.1-10.9 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 - 5.4-7.2 Violated in 0 structures by 0.00 A. Peak 3218 from aliabs.peaks (4.00, 4.00, 63.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 Peak 3219 from aliabs.peaks (8.49, 4.00, 63.23 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB3 SER 99 OK 100 100 100 100 2.5-4.0 7395=100, ~7408=28...(13) H GLU 97 - HB3 SER 99 far 10 98 10 - 5.0-7.6 H HIS 4 - HB3 SER 99 far 0 71 0 - 9.6-69.1 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 2.7-2.9 2.9=100 H GLU 97 - HA LEU 100 far 0 98 0 - 7.0-7.7 H LEU 70 - HA LEU 100 far 0 76 0 - 7.8-9.5 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 2.4-3.0 3.0=100 HB3 LEU 103 + HA LEU 100 OK 50 60 90 93 2.1-5.7 1.8/3370=46, 3.9/3228=34...(14) 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 2.6-3.0 3.0=100 QB ALA 108 - HA LEU 100 far 0 99 0 - 6.3-12.0 HB2 LEU 96 - HA LEU 100 far 0 99 0 - 6.4-8.6 HG LEU 96 - HA LEU 100 far 0 73 0 - 6.4-7.8 QB ALA 109 - HA LEU 100 far 0 93 0 - 7.8-12.2 QB ALA 110 - HA LEU 100 far 0 98 0 - 9.2-15.2 Violated in 0 structures by 0.00 A. Peak 3224 from aliabs.peaks (1.77, 3.96, 57.71 ppm; 4.71 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 100 100 2.6-3.7 3.7=100 HB3 LEU 103 + HA LEU 100 OK 78 83 95 99 2.1-5.7 1.8/3370=61, 3.9/3228=46...(20) HB3 LEU 122 + HA LEU 100 OK 70 89 80 98 3.3-6.7 3.1/11489=36...(32) HB3 LEU 98 - HA LEU 100 far 0 97 0 - 7.2-8.4 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 1.8-2.5 3258=100, 3260/3.0=58...(27) QD2 LEU 62 - HA LEU 100 far 0 100 0 - 6.2-8.0 QD1 ILE 129 - HA LEU 100 far 0 63 0 - 9.3-10.7 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 3.3-3.8 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 2.2-4.5 3370=51, 10066/7445=37...(17) HG LEU 122 + HA LEU 100 OK 47 65 75 95 2.6-5.4 2.1/11489=36...(25) HG LEU 103 + HA LEU 100 OK 45 87 60 86 2.4-5.8 3.0/3370=38, 5.0/3228=28...(15) HG LEU 49 - HA LEU 100 far 0 100 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 3230 from aliabs.peaks (1.79, 3.96, 57.71 ppm; 4.32 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 100 OK 93 100 95 98 2.1-5.7 1.8/3370=52...(21) HG LEU 100 + HA LEU 100 OK 83 83 100 100 2.6-3.7 3.7=100 HB3 LEU 122 + HA LEU 100 OK 72 100 75 97 3.3-6.7 3.1/11489=32...(33) HB2 LEU 100 + HA LEU 100 OK 60 60 100 100 2.4-3.0 3.0=100 HB3 LEU 98 - HA LEU 100 far 0 97 0 - 7.2-8.4 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 2.1-4.2 3115=100, 10036/3.2=74...(26) HB2 SER 99 + HB2 LEU 100 OK 61 100 65 94 4.0-7.4 4.5/7397=46...(14) 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 2.1-3.5 3.9=100 H GLU 97 - HB2 LEU 100 poor 20 98 20 - 4.7-6.8 H LEU 70 - HB2 LEU 100 far 0 76 0 - 6.0-7.6 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 6 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 65 - HB2 LEU 100 far 0 99 0 - 8.6-10.5 HB3 SER 107 - HB2 LEU 100 far 0 100 0 - 8.7-14.2 HB3 SER 106 - HB2 LEU 100 far 0 92 0 - 9.0-12.1 HB2 SER 106 - HB2 LEU 100 far 0 100 0 - 9.1-12.6 HB2 SER 124 - HB2 LEU 100 far 0 71 0 - 10.0-14.1 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): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 100 + HB2 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB2 LEU 100 OK 30 73 45 92 4.2-6.5 11918/3.2=27...(27) HB2 LEU 96 - HB2 LEU 100 far 10 99 10 - 4.2-7.9 QB ALA 108 - HB2 LEU 100 far 0 99 0 - 8.2-13.7 HG3 LYS 95 - HB2 LEU 100 far 0 96 0 - 9.7-12.9 QB ALA 109 - HB2 LEU 100 far 0 93 0 - 9.8-14.3 HG2 LYS 95 - HB2 LEU 100 far 0 92 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 3236 from aliabs.peaks (1.77, 1.82, 41.28 ppm; 4.74 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 122 + HB2 LEU 100 OK 53 89 60 100 2.7-7.7 7399/3.9=27, ~10337=27...(44) HB3 LEU 103 + HB2 LEU 100 OK 48 83 60 97 4.2-7.9 ~3370=36, ~3229=27...(28) HB3 LEU 98 - HB2 LEU 100 far 0 97 0 - 6.1-8.6 HG13 ILE 129 - HB2 LEU 100 far 0 60 0 - 7.9-12.0 Violated in 0 structures by 0.00 A. Peak 3237 from aliabs.peaks (0.68, 1.82, 41.28 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 62 - HB2 LEU 100 far 0 100 0 - 6.3-8.9 QD1 ILE 129 - HB2 LEU 100 far 0 63 0 - 7.3-9.8 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 2.2-3.1 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 2.7-4.1 4.6=100 H LYS 95 - HB2 LEU 100 far 0 93 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 3240 from aliabs.peaks (3.76, 1.37, 41.28 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB3 LEU 100 OK 100 100 100 100 2.0-4.0 3115/1.8=99...(27) HB2 SER 99 + HB3 LEU 100 OK 89 100 90 99 4.3-6.7 4.5/7398=71, 11477=53...(21) Violated in 0 structures by 0.00 A. Peak 3241 from aliabs.peaks (8.49, 1.37, 41.28 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.1-3.5 3.9=100 H GLU 97 + HB3 LEU 100 OK 78 98 80 100 4.5-6.8 ~3115=61, ~3115=57...(31) H LEU 70 - HB3 LEU 100 far 0 76 0 - 5.9-7.5 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 2.6-3.0 3.0=100 HB3 SER 107 - HB3 LEU 100 far 0 100 0 - 8.9-14.1 HB3 SER 106 - HB3 LEU 100 far 0 92 0 - 9.2-12.9 HA THR 65 - HB3 LEU 100 far 0 99 0 - 9.3-10.4 HB2 SER 106 - HB3 LEU 100 far 0 100 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 3243 from aliabs.peaks (1.82, 1.37, 41.28 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 103 - HB3 LEU 100 far 9 60 15 - 4.0-8.6 HB VAL 93 - HB3 LEU 100 far 0 99 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 3244 from aliabs.peaks (1.37, 1.37, 41.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 100 + HB3 LEU 100 OK 100 100 - 100 Peak 3245 from aliabs.peaks (1.77, 1.37, 41.28 ppm; 5.49 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HB3 LEU 100 OK 66 83 80 100 4.0-8.6 ~3370=47, ~3229=35...(29) HB3 LEU 122 + HB3 LEU 100 OK 53 89 60 100 3.7-8.1 3.1/10337=44...(43) HB3 LEU 98 - HB3 LEU 100 far 5 97 5 - 6.2-7.9 HG13 ILE 129 - HB3 LEU 100 far 0 60 0 - 8.5-11.3 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 2.3-3.2 3.2=100 QD2 LEU 62 - HB3 LEU 100 far 0 100 0 - 7.5-9.3 QD1 ILE 129 - HB3 LEU 100 far 0 63 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 3247 from aliabs.peaks (0.60, 1.37, 41.28 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.0-2.5 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 2.7-4.6 3257/2.1=89, 7401/2.1=79...(36) H LEU 70 - HG LEU 100 poor 15 76 20 - 4.2-7.9 H GLU 97 - HG LEU 100 far 5 98 5 - 5.3-7.3 Violated in 6 structures by 0.04 A. Peak 3250 from aliabs.peaks (3.96, 1.77, 26.16 ppm; 5.08 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 100 100 2.6-3.7 3.7=100 HA THR 65 - HG LEU 100 far 0 99 0 - 6.9-9.3 HB3 SER 107 - HG LEU 100 far 0 100 0 - 7.9-14.0 HB3 SER 106 - HG LEU 100 far 0 92 0 - 9.7-13.1 HB2 SER 106 - HG LEU 100 far 0 100 0 - 9.8-13.6 HB2 SER 124 - HG LEU 100 far 0 71 0 - 9.9-12.8 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 2.2-3.0 3.0=100 HB3 LEU 103 + HG LEU 100 OK 31 60 65 80 4.2-8.2 ~11793=26, 3259/2.1=23...(12) 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 6 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 96 + HG LEU 100 OK 41 73 60 94 4.0-6.5 11918/2.1=40...(23) HB2 LEU 96 - HG LEU 100 far 15 99 15 - 4.5-7.7 QB ALA 108 - HG LEU 100 far 0 99 0 - 9.3-14.2 QB ALA 29 - HG LEU 100 far 0 100 0 - 9.8-24.8 HG3 LYS 95 - HG LEU 100 far 0 96 0 - 10.0-12.7 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 - 5.7-7.6 QD1 ILE 129 - HG LEU 100 far 0 63 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 3255 from aliabs.peaks (0.60, 1.77, 26.16 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HG LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3257 from aliabs.peaks (8.49, 0.68, 23.45 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 100 + QD2 LEU 100 OK 100 100 100 100 3.7-4.1 7400=70, 2.9/3258=68...(26) H LEU 70 - QD2 LEU 100 far 0 76 0 - 5.0-7.1 H GLU 97 - QD2 LEU 100 far 0 98 0 - 6.3-7.3 H LEU 100 - QD2 LEU 62 far 0 83 0 - 7.6-9.7 H ASP 47 - QD2 LEU 62 far 0 41 0 - 8.4-10.4 H LEU 70 - QD2 LEU 62 far 0 56 0 - 9.0-10.6 Violated in 20 structures by 0.29 A. Peak 3258 from aliabs.peaks (3.96, 0.68, 23.45 ppm; 2.99 A): 1 out of 21 assignments used, quality = 0.99: * HA LEU 100 + QD2 LEU 100 OK 99 100 100 99 1.8-2.5 3225=66, 3.0/3260=44...(21) HB3 SER 107 - QD2 LEU 100 far 0 100 0 - 5.3-9.9 HA THR 65 - QD2 LEU 100 far 0 99 0 - 5.9-6.9 HA THR 65 - QD2 LEU 62 far 0 81 0 - 5.9-7.5 HB2 SER 51 - QD2 LEU 62 far 0 58 0 - 6.2-7.7 HA LEU 100 - QD2 LEU 62 far 0 83 0 - 6.2-8.0 HB3 SER 51 - QD2 LEU 62 far 0 68 0 - 6.4-8.5 HA3 GLY 111 - QD2 LEU 62 far 0 64 0 - 6.4-12.8 HB2 SER 106 - QD2 LEU 100 far 0 100 0 - 7.0-10.8 HB3 SER 106 - QD2 LEU 100 far 0 92 0 - 7.2-10.6 HD3 PRO 113 - QD2 LEU 62 far 0 45 0 - 7.2-12.0 HB3 SER 107 - QD2 LEU 62 far 0 82 0 - 7.5-12.9 HA3 GLY 111 - QD2 LEU 100 far 0 85 0 - 8.6-13.6 HD3 PRO 117 - QD2 LEU 62 far 0 75 0 - 8.7-11.5 HA GLN 127 - QD2 LEU 62 far 0 82 0 - 8.7-10.5 HD3 PRO 117 - QD2 LEU 100 far 0 96 0 - 8.9-10.6 HB2 SER 124 - QD2 LEU 62 far 0 52 0 - 9.7-11.2 HA GLN 127 - QD2 LEU 100 far 0 100 0 - 9.7-12.0 HB2 SER 106 - QD2 LEU 62 far 0 83 0 - 9.8-14.2 HB2 SER 124 - QD2 LEU 100 far 0 71 0 - 9.8-11.7 HB3 SER 106 - QD2 LEU 62 far 0 71 0 - 9.9-13.6 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 2.1-3.2 3.2=100 HB3 LEU 103 + QD2 LEU 100 OK 30 60 80 63 1.9-5.7 1.8/11793=15...(14) HB3 LEU 103 - QD2 LEU 62 far 0 43 0 - 5.5-8.3 HB2 LEU 100 - QD2 LEU 62 far 0 83 0 - 6.3-8.9 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 17 assignments used, quality = 0.99: * HB3 LEU 100 + QD2 LEU 100 OK 99 100 100 99 2.3-3.2 3.2=99 HG LEU 96 - QD2 LEU 100 far 0 73 0 - 5.0-7.1 HB2 LEU 96 - QD2 LEU 100 far 0 99 0 - 5.7-8.2 QB ALA 108 - QD2 LEU 100 far 0 99 0 - 6.5-10.9 QB ALA 109 - QD2 LEU 100 far 0 93 0 - 7.1-10.5 QB ALA 109 - QD2 LEU 62 far 0 72 0 - 7.2-11.0 HB3 LEU 100 - QD2 LEU 62 far 0 83 0 - 7.5-9.3 QB ALA 108 - QD2 LEU 62 far 0 81 0 - 7.7-12.0 QB ALA 110 - QD2 LEU 62 far 0 79 0 - 7.8-12.3 QB ALA 29 - QD2 LEU 100 far 0 100 0 - 7.9-21.0 QB ALA 110 - QD2 LEU 100 far 0 98 0 - 8.4-12.6 HB2 LEU 96 - QD2 LEU 62 far 0 80 0 - 8.5-11.0 HG LEU 96 - QD2 LEU 62 far 0 54 0 - 8.8-10.8 QB ALA 29 - QD2 LEU 62 far 0 82 0 - 8.8-23.3 QB ALA 28 - QD2 LEU 100 far 0 97 0 - 9.5-22.3 QB ALA 12 - QD2 LEU 100 far 0 93 0 - 9.7-33.4 QB ALA 15 - QD2 LEU 100 far 0 99 0 - 9.8-30.4 Violated in 7 structures by 0.01 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 40 83 80 60 1.9-5.7 1.8/11793=13...(16) HB3 LEU 122 - QD2 LEU 100 far 9 89 10 - 3.8-5.4 HB3 LEU 122 - QD2 LEU 62 far 0 68 0 - 4.3-8.0 HB2 LEU 48 - QD2 LEU 62 far 0 81 0 - 4.9-9.9 HB3 LEU 103 - QD2 LEU 62 far 0 62 0 - 5.5-8.3 HG LEU 100 - QD2 LEU 62 far 0 83 0 - 5.7-7.6 HB3 LEU 98 - QD2 LEU 100 far 0 97 0 - 7.5-8.9 HB2 LEU 48 - QD2 LEU 100 far 0 99 0 - 7.7-11.9 HG13 ILE 129 - QD2 LEU 100 far 0 60 0 - 8.2-11.4 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 - 5.1-7.5 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 3 assignments used, quality = 1.00: * H GLN 101 + QD2 LEU 100 OK 100 100 100 100 3.6-4.7 7413/2.1=100...(27) H GLN 101 - QD2 LEU 62 far 0 83 0 - 9.0-10.8 H LYS 95 - QD2 LEU 100 far 0 93 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 3265 from aliabs.peaks (8.49, 0.60, 25.59 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.3-4.3 7401=74, 3257/2.1=72...(30) H LEU 70 + QD1 LEU 100 OK 73 76 100 96 3.5-4.6 11094=43, 4.4/11493=36...(14) H GLU 97 - QD1 LEU 100 far 15 98 15 - 4.1-6.3 H ASP 47 - QD1 LEU 100 far 0 57 0 - 9.2-11.8 Violated in 2 structures by 0.01 A. Peak 3266 from aliabs.peaks (3.96, 0.60, 25.59 ppm; 3.84 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.3-3.8 3258/2.1=88, 4.0=86...(24) HA THR 65 - QD1 LEU 100 far 0 99 0 - 5.7-7.0 HB3 SER 107 - QD1 LEU 100 far 0 100 0 - 7.4-11.7 HB3 SER 106 - QD1 LEU 100 far 0 92 0 - 8.4-12.5 HA GLN 127 - QD1 LEU 100 far 0 100 0 - 8.5-12.1 HB2 SER 124 - QD1 LEU 100 far 0 71 0 - 8.7-12.5 HB2 SER 106 - QD1 LEU 100 far 0 100 0 - 8.7-12.8 HB3 SER 94 - QD1 LEU 100 far 0 99 0 - 9.0-10.8 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 2.2-3.1 3.2=100 HB3 LEU 103 - QD1 LEU 100 far 3 60 5 - 4.0-8.2 HB VAL 93 - QD1 LEU 100 far 0 99 0 - 7.8-9.9 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 12 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-2.5 3.2=100 HG LEU 96 + QD1 LEU 100 OK 38 73 55 93 2.5-5.4 3.7/11488=30...(33) HB2 LEU 96 - QD1 LEU 100 far 10 99 10 - 3.7-6.8 QB ALA 29 - QD1 LEU 100 far 0 100 0 - 6.9-19.5 QB ALA 108 - QD1 LEU 100 far 0 99 0 - 7.4-12.7 QB ALA 109 - QD1 LEU 100 far 0 93 0 - 8.7-12.3 QB ALA 12 - QD1 LEU 100 far 0 93 0 - 8.9-31.6 HG3 LYS 95 - QD1 LEU 100 far 0 96 0 - 9.1-11.3 QB ALA 28 - QD1 LEU 100 far 0 97 0 - 9.2-21.4 HG2 LYS 95 - QD1 LEU 100 far 0 92 0 - 9.3-11.8 QB ALA 110 - QD1 LEU 100 far 0 98 0 - 9.6-14.7 QB ALA 15 - QD1 LEU 100 far 0 99 0 - 9.6-28.4 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 9 89 10 - 2.9-7.0 HB3 LEU 103 - QD1 LEU 100 far 4 83 5 - 4.0-8.2 HG13 ILE 129 - QD1 LEU 100 far 0 60 0 - 6.0-10.6 HB3 LEU 98 - QD1 LEU 100 far 0 97 0 - 6.8-8.6 HB2 LEU 48 - QD1 LEU 100 far 0 99 0 - 7.7-11.7 Violated in 0 structures by 0.00 A. Peak 3270 from aliabs.peaks (0.68, 0.60, 25.59 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 62 - QD1 LEU 100 far 0 100 0 - 5.1-7.5 QD1 ILE 129 - QD1 LEU 100 far 0 63 0 - 5.7-8.2 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 3 assignments used, quality = 1.00: * H GLN 101 + QD1 LEU 100 OK 100 100 100 100 3.1-4.9 7415=100, 7413/2.1=100...(31) H LYS 95 - QD1 LEU 100 far 0 93 0 - 7.3-9.5 H CYS 45 - QD1 LEU 100 far 0 100 0 - 9.4-11.5 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 2.7-2.9 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): 2 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 OK 23 87 30 88 2.9-5.7 3.9/3282=34, 1.8/3421=24...(12) HB VAL 133 - HA ILE 80 poor 9 46 20 - 3.9-7.4 HB2 GLN 104 - HA GLN 101 far 4 89 5 - 4.1-5.6 HB2 PRO 81 - HA ILE 80 far 0 43 0 - 4.8-4.9 HB3 GLU 97 - HA GLN 101 far 0 93 0 - 4.9-7.9 HB3 GLU 102 - HA GLN 101 far 0 76 0 - 5.5-6.6 HB2 GLN 82 - HA ILE 80 far 0 56 0 - 5.8-8.3 HB2 PRO 81 - HA CYS 79 far 0 67 0 - 6.5-7.9 HB VAL 133 - HA CYS 79 far 0 71 0 - 8.6-12.0 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 4 assignments used, quality = 1.00: * HB3 GLN 101 + HA GLN 101 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 102 - HA GLN 101 far 0 65 0 - 5.4-7.0 HB VAL 132 - HA ILE 80 far 0 40 0 - 7.3-9.1 HB3 GLN 134 - HA ILE 80 far 0 29 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 3277 from aliabs.peaks (2.43, 4.11, 58.80 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLN 101 + HA GLN 101 OK 100 100 100 100 2.5-3.7 3.8=76, 1.8/3278=64...(15) HG3 GLN 82 - HA ILE 80 far 0 54 0 - 5.2-8.7 HG2 MET 11 - HA GLN 101 far 0 87 0 - 6.6-54.1 HG2 GLN 82 - HA ILE 80 far 0 56 0 - 6.7-9.2 HG3 GLU 97 - HA GLN 101 far 0 68 0 - 7.1-9.2 HG3 GLN 82 - HA CYS 79 far 0 82 0 - 9.5-12.5 Violated in 14 structures by 0.14 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 2.5-3.8 3.8=97, 1.8/3277=81...(17) Violated in 11 structures by 0.03 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 HB VAL 133 - HA ILE 80 poor 11 57 20 - 3.9-7.4 ! HB2 GLN 104 - HA GLN 101 far 5 100 5 - 4.1-5.6 HB2 PRO 81 - HA ILE 80 far 0 49 0 - 4.8-4.9 HB2 GLN 82 - HA ILE 80 far 0 42 0 - 5.8-8.3 HB2 PRO 81 - HA CYS 79 far 0 75 0 - 6.5-7.9 HB VAL 133 - HA CYS 79 far 0 85 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 3284 from aliabs.peaks (2.22, 4.11, 58.80 ppm; 3.79 A): 2 out of 9 assignments used, quality = 0.91: HB2 GLN 101 + HA GLN 101 OK 87 87 100 100 2.3-2.5 3.0=100 * HB3 GLN 104 + HA GLN 101 OK 32 100 35 91 2.9-5.7 7494/3282=40...(13) HB2 PRO 81 - HA ILE 80 far 0 35 0 - 4.8-4.9 HB3 GLU 97 - HA GLN 101 far 0 100 0 - 4.9-7.9 HB3 GLU 102 - HA GLN 101 far 0 100 0 - 5.5-6.6 HB2 GLN 82 - HA ILE 80 far 0 46 0 - 5.8-8.3 HG2 GLU 97 - HA GLN 101 far 0 85 0 - 6.1-9.4 HB2 PRO 81 - HA CYS 79 far 0 57 0 - 6.5-7.9 HB3 LEU 96 - HA GLN 101 far 0 85 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3285 from aliabs.peaks (4.11, 2.21, 27.78 ppm; 3.89 A): 2 out of 4 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 OK 60 100 60 100 4.3-5.1 3157/1.8=73...(17) HA GLN 104 - HB2 GLN 101 far 0 87 0 - 7.0-8.8 HA LEU 49 - HB3 GLN 127 far 0 68 0 - 8.4-11.2 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 2.8-3.7 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): 2 out of 4 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 OK 60 100 60 100 4.3-5.1 3157/1.8=73...(17) HA GLN 104 - HB2 GLN 101 far 0 87 0 - 7.0-8.8 HA LEU 49 - HB3 GLN 127 far 0 68 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 3288 from aliabs.peaks (2.21, 2.21, 27.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 101 + HB2 GLN 101 OK 100 100 - 100 HB3 GLN 127 + HB3 GLN 127 OK 54 54 - 100 Peak 3289 from aliabs.peaks (2.30, 2.21, 27.78 ppm; 2.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 101 + HB2 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 102 - HB2 GLN 101 far 0 65 0 - 4.6-7.2 HB3 GLN 134 - HB3 GLN 127 far 0 35 0 - 9.1-13.7 HB VAL 132 - HB3 GLN 127 far 0 49 0 - 9.7-11.3 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 4 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 3 67 5 - 4.3-7.2 HG3 GLU 97 - HB2 GLN 101 far 0 68 0 - 6.2-8.7 HG2 MET 11 - HB2 GLN 101 far 0 87 0 - 6.7-56.5 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 2.3-3.0 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 4.0-4.7 4.5=100 HE21 GLN 127 + HB3 GLN 127 OK 35 35 100 100 3.9-5.3 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 2.4-3.0 3.0=100 * HA LEU 98 + HB3 GLN 101 OK 95 100 95 100 3.0-5.1 3157=95, 3155/7418=44...(18) HA GLN 104 - HB3 GLN 101 far 0 87 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 3296 from aliabs.peaks (7.69, 2.30, 27.78 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.3-3.5 4.0=100 H LYS 95 - HB3 GLN 101 far 0 93 0 - 9.2-12.0 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 2.4-3.0 3.0=100 HA LEU 98 + HB3 GLN 101 OK 95 100 95 100 3.0-5.1 3157=95, 3155/7418=44...(18) HA GLN 104 - HB3 GLN 101 far 0 87 0 - 7.8-9.1 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 lone 8 93 45 18 3.1-7.8 3156/3157=10, ~3112=3...(5) HB3 GLU 102 - HB3 GLN 101 far 0 76 0 - 4.9-7.2 HB3 GLN 104 - HB3 GLN 101 far 0 87 0 - 5.7-8.4 HB2 GLN 104 - HB3 GLN 101 far 0 89 0 - 6.2-8.4 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 3 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 - 4.8-8.6 HG2 MET 11 - HB3 GLN 101 far 0 87 0 - 7.0-56.7 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 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3305 from aliabs.peaks (7.69, 2.43, 33.53 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.0-3.8 4.7=100 H LYS 95 - HG2 GLN 101 far 0 93 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 3306 from aliabs.peaks (4.11, 2.43, 33.53 ppm; 3.20 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.5-3.7 3277=79, 3278/1.8=54...(14) HA LEU 98 + HG2 GLN 101 OK 92 100 95 97 1.9-4.2 3157/2.9=39, 3315/1.8=34...(15) HA ILE 80 - HG3 GLN 82 far 0 78 0 - 5.2-8.7 HA ILE 80 - HG2 GLN 82 far 0 84 0 - 6.7-9.2 HA GLN 104 - HG2 GLN 101 far 0 87 0 - 7.6-10.1 HA PHE 89 - HG3 GLN 82 far 0 72 0 - 9.0-12.9 HA CYS 79 - HG3 GLN 82 far 0 95 0 - 9.5-12.5 HA PHE 89 - HG2 GLN 82 far 0 78 0 - 9.8-13.1 Violated in 7 structures by 0.04 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 2.2-3.0 2.9=100 HB2 GLN 82 + HG3 GLN 82 OK 95 95 100 100 2.4-3.0 2.9=100 HB3 GLU 97 - HG2 GLN 101 poor 7 93 25 31 3.6-6.8 3.0/3112=8, 3156/3306=6...(8) HB2 PRO 81 - HG3 GLN 82 far 0 78 0 - 4.5-7.5 HB3 GLU 102 - HG2 GLN 101 far 0 76 0 - 4.5-8.1 HB3 GLN 104 - HG2 GLN 101 far 0 87 0 - 5.2-9.2 HB2 PRO 81 - HG2 GLN 82 far 0 83 0 - 6.1-7.7 HB2 GLN 104 - HG2 GLN 101 far 0 89 0 - 6.4-8.9 HB VAL 133 - HG2 GLN 82 far 0 88 0 - 8.8-12.4 HB VAL 133 - HG3 GLN 82 far 0 82 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 3308 from aliabs.peaks (2.30, 2.43, 33.53 ppm; 2.86 A): 1 out of 6 assignments used, quality = 0.99: * HB3 GLN 101 + HG2 GLN 101 OK 99 100 100 99 2.2-3.0 2.9=93, 3.0/3277=36...(11) HG2 GLU 102 - HG2 GLN 101 poor 5 65 35 21 2.3-7.7 5.0/7450=15, 3.0/4093=4 HB VAL 132 - HG3 GLN 82 far 0 74 0 - 8.5-11.4 HB VAL 132 - HG2 GLN 82 far 0 80 0 - 9.0-11.9 HB3 GLN 134 - HG2 GLN 82 far 0 60 0 - 9.7-13.3 HB3 GLN 134 - HG3 GLN 82 far 0 55 0 - 10.0-14.3 Violated in 18 structures by 0.12 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 4 assignments used, quality = 1.00: * H GLU 102 + HG2 GLN 101 OK 100 100 100 100 2.1-4.6 7450=100, 3.1/3305=100...(23) H ALA 88 - HG3 GLN 82 far 5 95 5 - 7.6-11.0 H ALA 88 - HG2 GLN 82 far 0 99 0 - 8.1-10.8 H GLN 68 - HG2 GLN 101 far 0 99 0 - 9.3-13.9 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 2.0-2.7 7420=100, 3305/1.8=95...(27) H LYS 95 - HG3 GLN 101 far 0 93 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 3315 from aliabs.peaks (4.11, 2.55, 33.53 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.5-3.8 3278=64, 3277/1.8=64...(17) HA LEU 98 + HG3 GLN 101 OK 97 100 100 97 1.9-3.6 3157/2.9=40, 3306/1.8=34...(15) HA GLN 104 - HG3 GLN 101 far 0 87 0 - 8.4-9.8 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 2.3-3.0 2.9=100 HB3 GLU 97 - HG3 GLN 101 poor 19 93 20 - 3.5-5.6 HB3 GLU 102 - HG3 GLN 101 far 0 76 0 - 5.0-8.0 HB3 GLN 104 - HG3 GLN 101 far 0 87 0 - 6.3-9.3 HB2 GLN 104 - HG3 GLN 101 far 0 89 0 - 7.6-9.1 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 2.3-3.0 2.9=100 HG2 GLU 102 - HG3 GLN 101 poor 16 65 25 - 3.5-7.6 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 3 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 - 4.7-7.2 HG2 MET 11 - HG3 GLN 101 far 0 87 0 - 9.2-55.7 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 1.9-4.5 7451=100, 7450/1.8=100...(21) 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): 1 out of 16 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 126 - HA LEU 122 poor 16 54 30 - 4.4-5.8 HB VAL 126 - HA LEU 96 far 0 46 0 - 5.8-7.1 HB VAL 118 - HA GLU 102 far 0 90 0 - 6.4-8.8 HB VAL 118 - HA LEU 122 far 0 78 0 - 7.1-8.4 HB2 GLU 128 - HA LEU 96 far 0 82 0 - 7.4-8.5 HB2 GLU 128 - HA LEU 122 far 0 91 0 - 7.6-8.7 HB2 GLU 102 - HA LEU 122 far 0 91 0 - 7.7-11.0 HB2 GLU 102 - HA LEU 96 far 0 82 0 - 8.0-9.9 HB VAL 118 - HA LEU 96 far 0 68 0 - 8.1-10.0 HG2 PRO 117 - HA GLU 102 far 0 57 0 - 8.5-10.8 HB2 LEU 62 - HA LEU 122 far 0 61 0 - 8.6-10.5 HG3 GLU 91 - HA LEU 96 far 0 76 0 - 9.1-10.4 HG2 PRO 117 - HA LEU 122 far 0 47 0 - 9.7-11.1 HB2 LEU 62 - HA GLU 102 far 0 73 0 - 9.8-12.1 HG3 PRO 117 - HA GLU 102 far 0 57 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 3326 from aliabs.peaks (2.23, 4.05, 58.39 ppm; 3.74 A): 3 out of 20 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 96 + HA LEU 96 OK 71 71 100 100 2.2-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 38 81 50 94 3.1-5.4 3.2/3100=23, 1.8/3067=22...(45) HB2 GLN 101 - HA GLU 102 far 8 76 10 - 4.5-5.7 HG2 GLU 97 - HA LEU 96 far 0 71 0 - 5.2-6.8 HB3 GLN 104 - HA GLU 102 far 0 100 0 - 5.8-7.6 HB3 GLU 97 - HA LEU 96 far 0 77 0 - 5.8-6.6 HG2 GLU 97 - HA LEU 122 far 0 81 0 - 7.0-8.8 HB3 GLN 127 - HA LEU 122 far 0 89 0 - 7.2-9.8 HB3 GLU 128 - HA LEU 122 far 0 91 0 - 7.8-10.3 HB3 GLU 128 - HA LEU 96 far 0 81 0 - 7.8-10.0 HB3 GLU 97 - HA LEU 122 far 0 87 0 - 7.9-9.4 HB3 GLU 102 - HA LEU 122 far 0 91 0 - 8.1-12.0 HB3 GLU 102 - HA LEU 96 far 0 82 0 - 8.3-11.5 HB3 GLN 127 - HA LEU 96 far 0 80 0 - 8.4-10.8 HB3 GLU 97 - HA GLU 102 far 0 98 0 - 8.6-11.2 HG2 GLU 97 - HA GLU 102 far 0 93 0 - 8.6-12.4 HB2 GLN 101 - HA LEU 96 far 0 55 0 - 9.4-10.4 HG2 GLU 91 - HA LEU 96 far 0 65 0 - 9.5-10.8 HG2 GLN 68 - HA LEU 122 far 0 82 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3327 from aliabs.peaks (2.33, 4.05, 58.39 ppm; 3.86 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.2-3.8 3.7=100 HB3 GLN 101 + HA GLU 102 OK 28 65 45 96 4.1-5.7 7449/2.9=42, ~7451=25...(26) HG2 GLU 128 - HA LEU 122 far 0 82 0 - 6.6-11.3 HG2 GLU 128 - HA LEU 96 far 0 73 0 - 6.8-10.6 HG2 GLU 102 - HA LEU 122 far 0 91 0 - 7.4-12.1 HG2 GLU 102 - HA LEU 96 far 0 82 0 - 7.7-11.2 HG2 GLN 127 - HA LEU 122 far 0 79 0 - 7.7-9.7 HB3 GLN 101 - HA LEU 96 far 0 46 0 - 7.8-10.6 HB3 GLN 101 - HA LEU 122 far 0 54 0 - 8.8-11.4 HG2 GLN 127 - HA LEU 96 far 0 70 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3328 from aliabs.peaks (2.51, 4.05, 58.39 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 GLU 102 - HA LEU 122 far 0 91 0 - 6.5-11.3 HG3 GLU 102 - HA LEU 96 far 0 82 0 - 7.4-10.2 HG3 GLN 127 - HA LEU 122 far 0 52 0 - 7.4-9.4 HG3 GLN 127 - HA LEU 96 far 0 44 0 - 9.6-11.1 HG3 MET 11 - HA GLU 102 far 0 100 0 - 9.9-56.5 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 6 assignments used, quality = 1.00: * HB VAL 105 + HA GLU 102 OK 100 100 100 100 4.0-5.0 3465=100, 2.1/10086=95...(12) HB3 LEU 96 + HA LEU 122 OK 59 64 95 97 3.1-5.4 1.8/3067=32, 3.2/3100=29...(45) HB3 LEU 96 + HA LEU 96 OK 55 55 100 100 2.2-2.9 3.0=100 HG2 GLU 97 - HA LEU 96 far 8 55 15 - 5.2-6.8 HG2 GLU 97 - HA LEU 122 far 0 64 0 - 7.0-8.8 HG2 GLU 97 - HA GLU 102 far 0 76 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 3332 from aliabs.peaks (4.22, 2.08, 28.62 ppm; 3.92 A): 1 out of 6 assignments used, quality = 0.98: * HA SER 99 + HB2 GLU 102 OK 98 100 100 98 2.3-4.4 3207/1.8=66, 3206=51...(10) HA SER 124 - HB2 GLU 128 far 8 84 10 - 4.7-7.3 HA ARG 84 - HB3 GLN 82 far 0 43 0 - 5.5-7.1 HA ALA 88 - HB2 GLU 128 far 0 84 0 - 6.6-9.2 HB3 SER 38 - HB3 GLU 44 far 0 62 0 - 7.8-10.9 HA SER 51 - HB3 GLN 61 far 0 58 0 - 9.6-11.7 Violated in 3 structures by 0.03 A. Peak 3333 from aliabs.peaks (7.86, 2.08, 28.62 ppm; 5.13 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.4 3.8=100 H GLU 128 + HB2 GLU 128 OK 80 80 100 100 2.1-3.1 3.6=100 H ALA 88 - HB3 GLN 82 far 0 64 0 - 7.5-9.9 H ALA 88 - HB2 GLU 128 far 0 100 0 - 8.6-11.4 H GLN 68 - HB3 GLN 61 far 0 59 0 - 9.8-11.7 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 16 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 44 + HB3 GLU 44 OK 64 64 100 100 2.5-3.0 3.0=100 HA ALA 92 - HB2 GLU 128 poor 20 99 20 - 4.3-6.2 HD3 PRO 81 - HB3 GLN 82 far 9 57 15 - 4.5-6.8 HB THR 65 - HB3 GLN 61 far 2 49 5 - 4.5-7.4 HB THR 65 - HB2 GLN 61 far 0 60 0 - 5.4-8.1 HA LEU 96 - HB2 GLU 128 far 0 99 0 - 7.4-8.5 HA LEU 122 - HB2 GLU 128 far 0 98 0 - 7.6-8.7 HA LEU 122 - HB2 GLU 102 far 0 98 0 - 7.7-11.0 HA ILE 37 - HB3 GLU 44 far 0 34 0 - 7.8-10.3 HA LEU 119 - HB2 GLU 102 far 0 76 0 - 7.9-11.3 HA LEU 96 - HB2 GLU 102 far 0 100 0 - 8.0-9.9 HA LYS 95 - HB2 GLU 102 far 0 73 0 - 8.1-11.0 HA LEU 119 - HB2 GLN 61 far 0 48 0 - 8.2-11.5 HA LEU 119 - HB3 GLN 61 far 0 39 0 - 8.4-9.9 HA LYS 95 - HB2 GLU 128 far 0 73 0 - 9.1-10.7 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 15 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 HG2 GLU 91 - HB2 GLU 128 far 0 86 0 - 4.4-7.9 HB3 GLN 127 - HB2 GLU 128 far 0 99 0 - 4.5-6.4 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-7.2 HB2 PRO 81 - HB3 GLN 82 far 0 38 0 - 5.2-6.9 HB3 LEU 96 - HB2 GLU 128 far 0 93 0 - 5.8-7.3 HB3 GLN 104 - HB2 GLU 102 far 0 100 0 - 6.9-9.3 HB2 GLN 68 - HB3 GLU 44 far 0 61 0 - 7.6-10.6 HG2 GLU 97 - HB2 GLU 102 far 0 93 0 - 7.7-12.4 HB3 GLU 97 - HB2 GLU 102 far 0 98 0 - 8.0-11.0 HG2 GLN 68 - HB3 GLU 44 far 0 58 0 - 8.3-10.8 HB3 GLN 104 - HB3 GLN 61 far 0 59 0 - 9.5-11.4 HG2 GLN 68 - HB3 GLN 61 far 0 53 0 - 9.5-13.4 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 10 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 59 59 100 100 2.2-3.0 3.0=100 HB3 GLN 101 - HB2 GLU 102 poor 16 65 25 - 4.0-6.0 HG2 GLN 127 - HB2 GLU 128 far 0 91 0 - 6.7-8.0 HG3 GLN 68 - HB3 GLU 44 far 0 62 0 - 7.3-9.6 HB3 GLN 134 - HB3 GLN 82 far 0 64 0 - 8.2-13.8 HB2 PRO 117 - HB2 GLU 102 far 0 57 0 - 8.9-12.1 HB3 GLN 134 - HB2 GLU 128 far 0 100 0 - 9.7-13.1 HB VAL 77 - HB2 GLU 128 far 0 95 0 - 9.9-14.0 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 3 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 43 43 100 100 2.2-2.9 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 0 62 0 - 6.7-7.9 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 2.9-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 3340 from aliabs.peaks (4.22, 2.23, 28.62 ppm; 4.25 A): 2 out of 11 assignments used, quality = 0.99: * HA SER 99 + HB3 GLU 102 OK 95 100 95 100 2.4-5.3 3207=99, 3332/1.8=85...(10) HA SER 94 + HB3 GLU 97 OK 83 83 100 99 3.4-5.1 3117/1.8=74...(10) HA HIS 67 - HB3 GLU 97 far 8 78 10 - 4.9-8.0 HA HIS 67 - HB2 GLN 68 far 0 42 0 - 5.5-6.6 HA SER 124 - HB3 GLU 128 far 0 83 0 - 5.5-7.4 HA ALA 29 - HB2 GLN 68 far 0 53 0 - 6.5-21.1 HA ALA 88 - HB3 GLU 128 far 0 83 0 - 6.6-9.0 HA SER 99 - HB3 GLU 97 far 0 93 0 - 7.4-8.5 HA ALA 28 - HB2 GLN 68 far 0 38 0 - 8.0-23.8 HA GLU 30 - HB2 GLN 68 far 0 50 0 - 9.1-22.8 HA ALA 34 - HB2 GLN 68 far 0 49 0 - 9.4-14.1 Violated in 5 structures by 0.02 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 2.2-3.6 3.8=100 H GLU 128 + HB3 GLU 128 OK 79 79 100 100 2.1-3.6 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 - 6.3-8.6 H GLN 68 - HB3 GLU 97 far 0 92 0 - 8.1-11.5 H ALA 88 - HB3 GLU 128 far 0 100 0 - 8.5-11.1 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 20 assignments used, quality = 1.00: * HA GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 92 - HB3 GLU 128 far 5 99 5 - 4.3-6.7 HB THR 65 - HB2 GLN 68 far 0 43 0 - 4.9-8.2 HA LYS 95 - HB3 GLU 97 far 0 63 0 - 5.0-7.1 HB2 SER 74 - HB3 GLU 97 far 0 91 0 - 5.4-10.4 HA LEU 96 - HB3 GLU 97 far 0 92 0 - 5.8-6.6 HB3 SER 74 - HB3 GLU 97 far 0 87 0 - 6.8-11.9 HA ILE 37 - HB2 GLN 68 far 0 27 0 - 7.6-11.6 HA LEU 122 - HB3 GLU 128 far 0 97 0 - 7.8-10.3 HA LEU 119 - HB3 GLU 102 far 0 76 0 - 7.8-11.1 HA LEU 96 - HB3 GLU 128 far 0 99 0 - 7.8-10.0 HA LEU 122 - HB3 GLU 97 far 0 89 0 - 7.9-9.4 HA LEU 122 - HB3 GLU 102 far 0 98 0 - 8.1-12.0 HA LEU 96 - HB3 GLU 102 far 0 100 0 - 8.3-11.5 HA GLU 102 - HB3 GLU 97 far 0 93 0 - 8.6-11.2 HA ALA 92 - HB3 GLU 97 far 0 92 0 - 8.7-10.3 HA GLU 44 - HB2 GLN 68 far 0 51 0 - 9.2-11.7 HA LYS 95 - HB3 GLU 102 far 0 73 0 - 9.3-12.6 HA LYS 95 - HB3 GLU 128 far 0 72 0 - 9.4-11.6 HB3 SER 74 - HB2 GLN 68 far 0 48 0 - 9.5-11.9 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 13 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 - 4.5-7.8 HG3 GLU 91 - HB3 GLU 128 far 0 96 0 - 5.6-7.5 HG2 PRO 117 - HB3 GLU 102 far 0 57 0 - 6.0-8.9 HB VAL 126 - HB3 GLU 128 far 0 64 0 - 6.7-8.6 HG3 PRO 117 - HB3 GLU 102 far 0 57 0 - 7.5-10.5 HB3 GLU 44 - HB2 GLN 68 far 0 50 0 - 7.6-10.6 HB2 GLU 102 - HB3 GLU 97 far 0 93 0 - 8.0-11.0 HB2 LEU 62 - HB3 GLU 102 far 0 73 0 - 8.8-12.5 HG3 GLN 134 - HB3 GLU 128 far 0 99 0 - 9.2-12.4 HB2 LEU 62 - HB2 GLN 68 far 0 32 0 - 9.9-12.6 HB VAL 126 - HB3 GLU 97 far 0 56 0 - 10.0-11.6 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): 3 out of 13 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 93 93 100 100 2.3-3.0 3.0=100 HG3 GLN 68 + HB2 GLN 68 OK 50 50 100 100 2.3-3.0 3.0=100 HB3 GLN 101 - HB3 GLU 102 poor 20 65 30 - 4.9-7.2 HB3 GLN 101 - HB3 GLU 97 poor 13 56 55 41 3.1-7.8 3157/3156=13, ~3112=9...(9) HG2 GLN 127 - HB3 GLU 128 far 0 91 0 - 6.9-8.2 HG2 GLU 102 - HB3 GLU 97 far 0 93 0 - 7.8-11.4 HB3 GLN 134 - HB3 GLU 128 far 0 100 0 - 8.8-12.6 HB2 PRO 117 - HB3 GLU 102 far 0 57 0 - 9.0-11.7 HG2 GLN 27 - HB2 GLN 68 far 0 43 0 - 9.1-26.0 HG3 GLN 27 - HB2 GLN 68 far 0 41 0 - 9.4-26.6 HG3 GLN 68 - HB3 GLU 97 far 0 89 0 - 9.5-13.1 HG2 GLU 44 - HB2 GLN 68 far 0 47 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3346 from aliabs.peaks (2.51, 2.23, 28.62 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 127 - HB3 GLU 128 far 0 61 0 - 6.6-8.3 HG3 GLU 102 - HB3 GLU 97 far 0 93 0 - 6.9-10.4 HG3 MET 11 - HB2 GLN 68 far 0 53 0 - 9.7-41.0 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 2.7-4.2 4.6=100 H LEU 103 - HB3 GLU 97 far 0 93 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 3348 from aliabs.peaks (7.86, 2.33, 34.64 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.0-3.9 5.0=100 Violated in 0 structures by 0.00 A. Peak 3349 from aliabs.peaks (4.05, 2.33, 34.64 ppm; 3.57 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 102 + HG2 GLU 102 OK 99 100 100 99 2.2-3.8 3.7=87, 2.9/3348=46...(9) HA GLU 44 + HG2 GLU 44 OK 84 84 100 100 2.1-3.5 3.7=90, 1425/1.8=69...(13) HA LEU 122 - HG2 GLU 102 far 0 98 0 - 7.4-12.1 HA LEU 96 - HG2 GLU 102 far 0 100 0 - 7.7-11.2 HA LYS 95 - HG2 GLU 102 far 0 73 0 - 7.7-11.1 HA LEU 119 - HG2 GLU 102 far 0 76 0 - 7.8-13.3 HA ILE 37 - HG2 GLU 44 far 0 48 0 - 8.7-10.8 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 8 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 44 + HG2 GLU 44 OK 83 83 100 100 2.2-3.0 3.0=100 HB VAL 118 - HG2 GLU 102 far 0 90 0 - 4.4-9.3 HG2 PRO 117 - HG2 GLU 102 far 0 57 0 - 6.1-10.5 HB3 LYS 39 - HG2 GLU 44 far 0 86 0 - 7.4-10.2 HG3 PRO 117 - HG2 GLU 102 far 0 57 0 - 7.6-11.9 HG3 GLN 134 - HG2 GLU 44 far 0 86 0 - 8.9-13.4 HB2 LEU 62 - HG2 GLU 102 far 0 73 0 - 9.2-13.9 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 6 assignments used, quality = 1.00: * HB3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLU 102 poor 19 76 25 - 4.6-7.2 HG2 GLU 97 - HG2 GLU 102 far 0 93 0 - 7.7-12.6 HB3 GLN 104 - HG2 GLU 102 far 0 100 0 - 7.8-10.7 HB3 GLU 97 - HG2 GLU 102 far 0 98 0 - 7.8-11.4 HB2 GLN 68 - HG2 GLU 44 far 0 82 0 - 9.7-12.8 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 2.1-3.9 3.7=100 HA LEU 122 - HG3 GLU 102 far 0 98 0 - 6.5-11.3 HA LEU 96 - HG3 GLU 102 far 0 100 0 - 7.4-10.2 HA LEU 119 - HG3 GLU 102 far 0 76 0 - 7.9-12.5 HA LYS 95 - HG3 GLU 102 far 0 73 0 - 8.0-10.6 Violated in 0 structures by 0.00 A. Peak 3357 from aliabs.peaks (2.08, 2.51, 34.64 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 118 - HG3 GLU 102 far 5 90 5 - 4.3-8.8 HG2 PRO 117 - HG3 GLU 102 far 0 57 0 - 6.6-10.4 HG3 PRO 117 - HG3 GLU 102 far 0 57 0 - 8.3-12.1 HB2 LEU 62 - HG3 GLU 102 far 0 73 0 - 9.0-13.8 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 6 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 poor 15 76 20 - 4.4-7.3 HG2 GLU 97 - HG3 GLU 102 far 0 93 0 - 6.7-11.8 HB3 GLU 97 - HG3 GLU 102 far 0 98 0 - 6.9-10.4 HB3 GLN 104 - HG3 GLU 102 far 0 100 0 - 7.5-10.0 HB3 LEU 96 - HG3 GLU 102 far 0 93 0 - 9.9-12.4 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 poor 16 65 25 - 2.9-7.3 HB2 PRO 117 - HG3 GLU 102 far 0 57 0 - 9.3-13.1 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 2.3-2.7 3.0=100 HG LEU 103 + HA LEU 103 OK 87 87 100 100 2.3-4.3 4.3=100 HG LEU 122 - HA LEU 103 far 0 65 0 - 6.7-9.3 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 2.3-3.0 3.0=100 HB3 LEU 122 - HA LEU 103 far 0 100 0 - 6.5-9.7 HB2 LEU 100 - HA LEU 103 far 0 60 0 - 6.8-8.6 HG LEU 100 - HA LEU 103 far 0 83 0 - 6.9-9.5 HB3 LEU 98 - HA LEU 103 far 0 97 0 - 9.2-11.4 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 2.3-4.3 4.3=95, 2.1/3367=89...(19) HB2 LEU 103 + HA LEU 103 OK 87 87 100 100 2.3-2.7 3.0=100 HB2 LEU 119 - HA LEU 103 far 0 93 0 - 7.1-10.6 Violated in 0 structures by 0.00 A. Peak 3367 from aliabs.peaks (0.78, 4.01, 57.03 ppm; 3.37 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HA LEU 103 OK 100 100 100 100 2.1-3.6 3397=79, 2.1/3405=45...(17) QD2 LEU 119 - HA LEU 103 far 0 99 0 - 4.3-8.2 QD2 LEU 122 - HA LEU 103 far 0 100 0 - 4.7-8.6 QD1 LEU 122 - HA LEU 103 far 0 71 0 - 5.1-8.5 QG1 VAL 63 - HA LEU 103 far 0 100 0 - 5.4-7.1 QD2 LEU 49 - HA LEU 103 far 0 90 0 - 8.2-12.0 QD1 LEU 53 - HA LEU 103 far 0 96 0 - 8.4-13.8 QD1 LEU 96 - HA LEU 103 far 0 99 0 - 8.5-10.2 Violated in 4 structures by 0.02 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 2.2-4.1 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 6 assignments used, quality = 0.99: * HA LEU 100 + HB2 LEU 103 OK 99 100 100 99 2.2-4.5 3229=51, 7445/10066=49...(19) HB3 SER 106 + HB2 LEU 103 OK 33 92 40 89 4.6-7.8 10096/3.2=32, 11536=24...(18) HB2 SER 106 - HB2 LEU 103 far 10 100 10 - 5.3-7.8 HB3 SER 107 - HB2 LEU 103 far 10 100 10 - 3.8-9.7 HD3 PRO 117 - HB2 LEU 103 far 0 96 0 - 6.0-8.8 HA3 GLY 111 - HB2 LEU 103 far 0 85 0 - 8.0-14.7 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 2.3-2.7 3.0=100 HB3 SER 99 + HB2 LEU 103 OK 44 89 75 66 4.1-6.1 11475/10261=19...(13) HA LEU 119 - HB2 LEU 103 far 10 97 10 - 4.5-7.2 HA LEU 122 - HB2 LEU 103 far 0 71 0 - 6.6-8.7 HA SER 60 - HB2 LEU 103 far 0 100 0 - 7.3-10.0 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 12 83 15 - 4.5-7.7 HB3 LEU 122 - HB2 LEU 103 far 5 100 5 - 4.3-7.4 HB2 LEU 100 - HB2 LEU 103 far 3 60 5 - 4.6-6.9 HB3 LEU 98 - HB2 LEU 103 far 0 97 0 - 8.3-10.2 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): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 122 + HB2 LEU 103 OK 43 100 60 72 2.6-6.6 11489/3370=11...(29) QD2 LEU 119 - HB2 LEU 103 poor 15 99 30 51 4.2-7.7 3791/3.0=13, 3409/3.1=11...(16) QD1 LEU 122 - HB2 LEU 103 poor 14 71 35 58 3.0-6.5 11489/3370=8...(26) QG1 VAL 63 - HB2 LEU 103 far 0 100 0 - 4.8-6.8 QD1 LEU 96 - HB2 LEU 103 far 0 99 0 - 6.3-8.3 QD2 LEU 49 - HB2 LEU 103 far 0 90 0 - 6.5-10.2 QD1 LEU 53 - HB2 LEU 103 far 0 96 0 - 7.2-12.1 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 2.2-3.2 3.1=100 QD2 LEU 96 - HB2 LEU 103 far 0 90 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 3379 from aliabs.peaks (3.96, 1.79, 42.10 ppm; 5.98 A): 5 out of 21 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 103 OK 100 100 100 100 2.1-5.7 3228/7474=75...(21) HA LEU 100 + HB3 LEU 122 OK 94 94 100 100 3.3-6.7 11489/3.1=43, ~10026=39...(35) HB3 SER 106 + HB3 LEU 103 OK 81 92 90 98 5.2-8.2 11536/1.8=49...(17) HB2 SER 106 + HB3 LEU 103 OK 63 100 65 98 5.2-8.4 ~11536=45, ~10096=40...(15) HB3 SER 107 + HB3 LEU 103 OK 30 100 40 75 4.0-8.5 10106/3.2=21, ~10115=15...(13) HB3 SER 94 - HB3 LEU 98 poor 14 72 20 - 5.2-8.4 HD3 PRO 117 - HB3 LEU 103 far 5 96 5 - 6.4-10.4 HA LEU 100 - HB3 LEU 98 far 0 76 0 - 7.2-8.4 HB2 SER 124 - HB3 LEU 122 far 0 62 0 - 7.4-8.5 HB3 SER 106 - HB3 LEU 98 far 0 64 0 - 7.8-13.6 HA3 GLY 111 - HB3 LEU 103 far 0 85 0 - 8.0-14.4 HB2 SER 106 - HB3 LEU 98 far 0 75 0 - 8.6-14.0 HB3 SER 107 - HB3 LEU 122 far 0 93 0 - 8.7-15.6 HA GLU 91 - HB3 LEU 98 far 0 71 0 - 9.0-11.6 HA GLN 127 - HB3 LEU 122 far 0 94 0 - 9.0-10.8 HD3 PRO 117 - HB3 LEU 122 far 0 87 0 - 9.0-10.9 HB3 SER 106 - HB3 LEU 122 far 0 83 0 - 9.2-13.9 HA THR 65 - HB3 LEU 122 far 0 93 0 - 9.2-11.5 HB2 SER 106 - HB3 LEU 122 far 0 94 0 - 9.3-14.5 HB2 SER 124 - HB3 LEU 98 far 0 46 0 - 9.5-13.5 HA THR 65 - HB3 LEU 103 far 0 99 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3381 from aliabs.peaks (4.01, 1.79, 42.10 ppm; 6.80 A): 10 out of 18 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 119 + HB3 LEU 122 OK 88 88 100 100 3.0-5.7 3764=94, 3762/3.5=87...(22) HB3 SER 99 + HB3 LEU 103 OK 80 89 100 91 4.6-7.5 3372/1.8=31...(15) HB3 SER 99 + HB3 LEU 122 OK 79 79 100 100 1.9-6.4 ~11479=58, 11476/3.1=52...(30) HA LEU 119 + HB3 LEU 103 OK 78 97 90 90 5.3-8.2 ~11426=63, 3405/3.1=27...(9) HA LYS 95 + HB3 LEU 98 OK 70 70 100 100 2.9-4.4 11469/3.1=100...(23) HA LEU 122 + HB3 LEU 122 OK 62 62 100 100 2.3-3.0 3.0=100 HB3 SER 99 + HB3 LEU 98 OK 60 61 100 98 3.7-6.8 ~11480=84, 3.7/7378=46...(7) HA SER 60 + HB3 LEU 103 OK 55 100 85 65 5.9-9.2 10978/10963=47...(4) HA LEU 103 + HB3 LEU 122 OK 21 94 25 87 6.5-9.7 3368/3386=24, ~3376=20...(21) HB3 SER 124 - HB3 LEU 122 poor 18 94 30 65 7.1-8.4 3974/10323=46...(5) HA LYS 95 - HB3 LEU 122 poor 17 89 35 53 7.0-11.0 4.9/3858=29, 2960/7378=8...(9) HA SER 50 - HB3 LEU 122 poor 15 77 20 - 6.5-10.9 HA LEU 122 - HB3 LEU 98 poor 15 46 65 49 5.7-9.2 7372/4.6=17...(7) HB2 SER 124 - HB3 LEU 122 poor 10 62 45 34 7.4-8.5 3968/10323=27...(3) HA LEU 122 - HB3 LEU 103 far 7 71 10 - 7.2-10.1 HA LEU 103 - HB3 LEU 98 far 0 76 0 - 9.2-11.4 HB2 SER 124 - HB3 LEU 98 far 0 46 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 3382 from aliabs.peaks (1.58, 1.79, 42.10 ppm; 3.82 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 103 + HB3 LEU 103 OK 87 87 100 100 2.5-3.0 3.0=100 HG LEU 122 + HB3 LEU 122 OK 57 57 100 100 2.2-2.8 3.0=100 HB2 LEU 103 - HB3 LEU 122 far 5 94 5 - 4.3-7.4 HG LEU 122 - HB3 LEU 103 far 3 65 5 - 4.5-7.9 HG LEU 49 - HB3 LEU 122 far 0 93 0 - 5.0-10.0 HG LEU 103 - HB3 LEU 122 far 0 77 0 - 5.1-8.7 HG LEU 123 - HB3 LEU 122 far 0 88 0 - 6.5-8.5 HG LEU 122 - HB3 LEU 98 far 0 42 0 - 6.5-10.1 HB2 LEU 103 - HB3 LEU 98 far 0 76 0 - 8.3-10.2 HG LEU 103 - HB3 LEU 98 far 0 59 0 - 8.5-13.1 HG LEU 49 - HB3 LEU 103 far 0 100 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 3383 from aliabs.peaks (1.79, 1.79, 42.10 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 HB3 LEU 122 + HB3 LEU 122 OK 94 94 - 100 HB3 LEU 98 + HB3 LEU 98 OK 70 70 - 100 Peak 3384 from aliabs.peaks (1.56, 1.79, 42.10 ppm; 4.81 A): 4 out of 11 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 103 + HB3 LEU 103 OK 87 87 100 100 1.8-1.8 1.8=100 HB2 LEU 103 + HB3 LEU 122 OK 23 77 40 75 4.3-7.4 3376/3.1=17, 3.1/3386=14...(26) HB2 LEU 119 + HB3 LEU 122 OK 21 84 25 99 5.1-7.9 2.9/3764=77, ~3762=31...(30) HG LEU 49 - HB3 LEU 122 far 9 86 10 - 5.0-10.0 HG LEU 103 - HB3 LEU 122 far 5 94 5 - 5.1-8.7 HB2 LEU 119 - HB3 LEU 103 far 0 93 0 - 6.2-10.3 HG LEU 123 - HB3 LEU 122 far 0 92 0 - 6.5-8.5 HB2 LEU 103 - HB3 LEU 98 far 0 59 0 - 8.3-10.2 HG LEU 103 - HB3 LEU 98 far 0 76 0 - 8.5-13.1 HG LEU 49 - HB3 LEU 103 far 0 95 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 3385 from aliabs.peaks (0.78, 1.79, 42.10 ppm; 5.50 A): 13 out of 23 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 95 100 95 100 3.3-6.9 10972/1.8=96...(37) 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 2.8-5.5 9986/11653=61...(47) QD2 LEU 122 + HB3 LEU 103 OK 80 100 90 89 3.4-7.1 3376/1.8=25...(27) QD1 LEU 103 + HB3 LEU 122 OK 69 94 85 86 3.9-7.0 10265/11609=19...(26) QD1 LEU 122 + HB3 LEU 122 OK 62 62 100 100 1.9-3.2 3.1=100 QD2 LEU 119 + HB3 LEU 122 OK 59 91 70 93 4.4-7.9 3790/3764=86, ~3770=10...(13) QD1 LEU 53 + HB3 LEU 122 OK 58 87 75 88 2.9-9.2 3907/4.3=39, ~11749=25...(18) QD2 LEU 119 + HB3 LEU 103 OK 57 99 80 72 4.0-8.3 3791/3.0=22, 3409/3.1=15...(16) QD1 LEU 122 + HB3 LEU 103 OK 52 71 90 81 3.4-7.1 ~3376=21, ~3376=21...(24) QD2 LEU 49 + HB3 LEU 122 OK 31 81 85 45 2.6-6.8 3873/1.8=9...(12) QD2 LEU 122 + HB3 LEU 98 OK 20 74 45 60 5.0-7.8 11382/4.6=29...(9) QD1 LEU 122 - HB3 LEU 98 far 5 46 10 - 5.7-9.3 QD1 LEU 96 - HB3 LEU 98 far 4 72 5 - 6.1-8.1 QD2 LEU 49 - HB3 LEU 103 far 0 90 0 - 6.4-10.6 QD1 LEU 96 - HB3 LEU 103 far 0 99 0 - 6.6-9.3 QG1 VAL 63 - HB3 LEU 122 far 0 94 0 - 7.1-8.8 QD1 LEU 53 - HB3 LEU 103 far 0 96 0 - 7.4-12.6 QD1 LEU 103 - HB3 LEU 98 far 0 76 0 - 7.4-10.1 QG1 VAL 63 - HB3 LEU 98 far 0 75 0 - 9.3-12.1 QD2 LEU 49 - HB3 LEU 98 far 0 62 0 - 9.3-12.1 QD1 LEU 53 - HB3 LEU 98 far 0 68 0 - 9.7-14.5 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 2.0-3.2 3.1=100 QD2 LEU 103 + HB3 LEU 122 OK 76 94 95 84 4.2-7.0 3405/3764=23, ~3376=16...(25) QD2 LEU 96 + HB3 LEU 122 OK 65 81 80 100 5.3-7.4 ~3100=32, 11803/11653=30...(47) QG1 VAL 93 - HB3 LEU 98 far 9 61 15 - 6.2-8.6 QD2 LEU 96 - HB3 LEU 98 far 0 62 0 - 7.3-8.7 QD2 LEU 103 - HB3 LEU 98 far 0 76 0 - 7.5-10.8 QG1 VAL 93 - HB3 LEU 122 far 0 79 0 - 7.8-10.2 HG12 ILE 129 - HB3 LEU 122 far 0 86 0 - 8.6-11.9 QD2 LEU 96 - HB3 LEU 103 far 0 90 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 3389 from aliabs.peaks (4.01, 1.56, 26.82 ppm; 4.05 A): 6 out of 22 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.3-4.3 4.3=86, 3367/2.1=86...(19) HA SER 50 + HG LEU 123 OK 60 80 75 100 2.4-5.9 11772/2.1=76...(21) HB3 SER 124 + HG LEU 123 OK 32 96 35 95 3.3-6.3 10372/2.1=69...(11) HA VAL 20 + HG2 ARG 23 OK 27 64 55 78 3.6-8.8 11783/6205=36...(12) HA SER 50 + HG LEU 49 OK 22 66 35 96 3.4-6.6 2.9/6620=35, ~6619=29...(27) HB2 SER 124 + HG LEU 123 OK 20 64 35 90 4.6-7.6 ~10372=48, 4.0/7765=46...(11) HA LEU 119 - HG LEU 103 far 14 97 15 - 4.1-7.8 HA SER 60 - HG LEU 103 far 5 100 5 - 4.8-8.2 HB3 SER 99 - HG LEU 103 far 0 89 0 - 5.1-8.9 HA LEU 119 - HG LEU 123 far 0 91 0 - 6.0-7.8 HA LEU 122 - HG LEU 49 far 0 52 0 - 6.7-10.4 HA LEU 122 - HG LEU 123 far 0 64 0 - 6.7-7.9 HA LEU 119 - HG LEU 49 far 0 77 0 - 6.8-9.9 HA LEU 122 - HG LEU 103 far 0 71 0 - 7.3-10.9 HA GLU 44 - HG LEU 49 far 0 48 0 - 7.5-10.3 HA GLN 68 - HG LEU 49 far 0 75 0 - 7.7-11.3 HA GLN 68 - HG2 ARG 23 far 0 87 0 - 8.2-30.8 HB3 SER 99 - HG LEU 123 far 0 82 0 - 9.1-11.2 HB3 SER 124 - HG LEU 49 far 0 83 0 - 9.2-13.0 HB2 SER 124 - HG LEU 49 far 0 52 0 - 9.6-13.2 HB3 SER 99 - HG LEU 49 far 0 68 0 - 10.0-12.8 HA SER 60 - HG LEU 49 far 0 82 0 - 10.0-13.7 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 19 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 23 + HG2 ARG 23 OK 62 62 100 100 2.4-3.0 3.0=100 HB2 LEU 48 - HG LEU 49 poor 20 73 35 78 3.0-8.1 6598/6606=18...(20) HB2 LEU 100 - HG LEU 103 far 0 60 0 - 4.2-8.5 HB3 LYS 19 - HG2 ARG 23 far 0 84 0 - 4.7-11.6 HB3 LYS 31 - HG2 ARG 23 far 0 75 0 - 4.7-19.6 HB3 LEU 122 - HG LEU 49 far 0 83 0 - 5.0-10.0 HB3 LYS 24 - HG2 ARG 23 far 0 71 0 - 5.1-8.0 HB3 LEU 122 - HG LEU 103 far 0 100 0 - 5.1-8.7 HG LEU 100 - HG LEU 103 far 0 83 0 - 5.1-8.7 HB3 LEU 122 - HG LEU 123 far 0 96 0 - 6.5-8.5 HB3 LYS 26 - HG2 ARG 23 far 0 69 0 - 6.5-11.7 HG LEU 100 - HG LEU 49 far 0 62 0 - 6.6-9.1 HB2 LEU 100 - HG LEU 49 far 0 43 0 - 7.9-11.3 HB ILE 32 - HG2 ARG 23 far 0 77 0 - 8.0-23.6 HB2 LEU 48 - HG LEU 123 far 0 87 0 - 8.3-14.1 HB3 LEU 98 - HG LEU 103 far 0 97 0 - 8.5-13.1 HG LEU 100 - HG LEU 123 far 0 76 0 - 9.5-12.9 HB3 LEU 103 - HG LEU 49 far 0 83 0 - 9.5-14.4 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): 3 out of 26 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 QD1 LEU 53 + HG LEU 123 OK 64 89 85 84 2.0-4.6 11422/2.1=55...(13) QD1 LEU 53 - HG LEU 49 poor 15 75 20 - 1.8-7.5 QD2 LEU 119 - HG LEU 103 poor 13 99 30 45 2.7-7.8 3791=12, 3409/2.1=11...(16) QG1 VAL 63 - HG LEU 103 far 10 100 10 - 3.8-5.8 QD2 LEU 122 - HG LEU 103 far 5 100 5 - 2.8-7.7 QD1 LEU 122 - HG LEU 103 far 4 71 5 - 3.9-7.4 QD1 LEU 122 - HG LEU 49 far 3 52 5 - 3.7-6.9 QD2 LEU 122 - HG LEU 49 far 0 82 0 - 4.4-8.3 QD1 LEU 122 - HG LEU 123 far 0 64 0 - 4.6-8.0 QD1 LEU 96 - HG LEU 49 far 0 80 0 - 4.9-7.2 QD2 LEU 122 - HG LEU 123 far 0 95 0 - 5.1-8.5 QD2 LEU 49 - HG LEU 123 far 0 83 0 - 5.3-8.1 QD1 ILE 32 - HG2 ARG 23 far 0 86 0 - 6.0-17.9 QD2 LEU 119 - HG LEU 123 far 0 93 0 - 6.3-8.8 QD2 LEU 49 - HG LEU 103 far 0 90 0 - 6.5-9.4 QD1 LEU 96 - HG LEU 103 far 0 99 0 - 6.6-9.5 QD1 LEU 53 - HG LEU 103 far 0 96 0 - 6.7-12.7 QD2 LEU 119 - HG LEU 49 far 0 80 0 - 6.9-10.5 QD1 LEU 96 - HG LEU 123 far 0 93 0 - 7.1-9.4 QD1 LEU 103 - HG LEU 123 far 0 96 0 - 7.4-11.8 QG1 VAL 63 - HG LEU 49 far 0 83 0 - 7.6-10.2 QD1 LEU 103 - HG LEU 49 far 0 83 0 - 7.8-10.9 QG1 VAL 63 - HG2 ARG 23 far 0 94 0 - 9.1-30.6 QD1 ILE 32 - HG LEU 49 far 0 74 0 - 9.8-23.1 Violated in 0 structures by 0.00 A. Peak 3394 from aliabs.peaks (0.73, 1.56, 26.82 ppm; 4.34 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 - HG LEU 49 far 0 70 0 - 5.9-7.7 QD2 LEU 103 - HG LEU 49 far 0 83 0 - 6.6-11.6 QD2 LEU 43 - HG LEU 49 far 0 77 0 - 7.7-10.7 QD2 LEU 103 - HG LEU 123 far 0 96 0 - 7.8-11.3 HG12 ILE 129 - HG LEU 49 far 0 74 0 - 7.9-12.5 QD2 LEU 96 - HG LEU 123 far 0 83 0 - 8.6-10.9 HG12 ILE 129 - HG LEU 123 far 0 88 0 - 9.0-13.9 QD2 LEU 96 - HG LEU 103 far 0 90 0 - 9.1-12.1 QG1 VAL 93 - HG LEU 49 far 0 68 0 - 9.8-11.3 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 10 assignments used, quality = 0.99: * HA LEU 103 + QD1 LEU 103 OK 98 100 100 98 2.1-3.6 3367=71, 3368/2.1=40...(17) HA LEU 119 + QD1 LEU 103 OK 26 97 55 50 1.9-6.1 2.8/11426=16...(9) HA SER 60 - QD1 LEU 103 far 0 100 0 - 4.0-7.4 HB3 SER 99 - QD1 LEU 103 far 0 89 0 - 4.2-7.0 HA LEU 122 - QD1 LEU 103 far 0 71 0 - 6.0-8.9 HA SER 50 - QD1 LEU 103 far 0 87 0 - 9.1-11.9 HB3 SER 124 - QD1 LEU 103 far 0 100 0 - 9.2-13.0 HB2 SER 124 - QD1 LEU 103 far 0 71 0 - 9.4-12.8 HA GLN 68 - QD1 LEU 103 far 0 96 0 - 9.5-13.0 HA LYS 95 - QD1 LEU 103 far 0 97 0 - 9.6-12.1 Violated in 5 structures by 0.10 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 1.9-3.2 3.2=100 HG LEU 103 + QD1 LEU 103 OK 87 87 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD1 LEU 103 far 10 65 15 - 3.3-6.8 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 7.4-11.8 HG LEU 49 - QD1 LEU 103 far 0 100 0 - 7.8-10.9 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 2.1-3.2 3.2=100 HB3 LEU 122 - QD1 LEU 103 far 5 100 5 - 3.9-7.0 HG LEU 100 - QD1 LEU 103 far 4 83 5 - 4.0-6.9 HB2 LEU 100 - QD1 LEU 103 far 3 60 5 - 3.5-6.9 HB3 LEU 98 - QD1 LEU 103 far 0 97 0 - 7.4-10.1 Violated in 0 structures by 0.00 A. Peak 3400 from aliabs.peaks (1.56, 0.78, 24.12 ppm; 2.76 A): 2 out of 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 1.9-3.2 3.2=65, 3.0/3367=34...(17) HB2 LEU 119 - QD1 LEU 103 far 5 93 5 - 3.1-7.2 HG LEU 123 - QD1 LEU 103 far 0 99 0 - 7.4-11.8 HG LEU 49 - QD1 LEU 103 far 0 95 0 - 7.8-10.9 Violated in 0 structures by 0.00 A. Peak 3401 from aliabs.peaks (0.78, 0.78, 24.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 103 + QD1 LEU 103 OK 100 100 - 100 Peak 3402 from aliabs.peaks (0.73, 0.78, 24.12 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 96 - QD1 LEU 103 far 0 90 0 - 7.4-9.7 QG1 VAL 93 - QD1 LEU 103 far 0 89 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 3405 from aliabs.peaks (4.01, 0.73, 25.24 ppm; 3.35 A): 2 out of 9 assignments used, quality = 1.00: * HA LEU 103 + QD2 LEU 103 OK 99 100 100 99 2.2-4.1 3367/2.1=65, 3368=61...(17) HA LEU 119 + QD2 LEU 103 OK 36 97 65 57 3.1-5.6 ~11426=17, 3397/2.1=16...(10) HA SER 60 - QD2 LEU 103 poor 11 100 30 38 3.7-6.3 10977/11832=19...(5) HB3 SER 99 - QD2 LEU 103 far 4 89 5 - 3.2-7.4 HA LEU 122 - QD2 LEU 103 far 0 71 0 - 5.8-8.8 HA SER 50 - QD2 LEU 103 far 0 87 0 - 8.4-11.8 HA LYS 95 - QD2 LEU 103 far 0 97 0 - 8.9-12.2 HA GLN 68 - QD2 LEU 103 far 0 96 0 - 9.2-12.0 HB3 SER 124 - QD2 LEU 103 far 0 100 0 - 9.8-12.4 Violated in 17 structures by 0.15 A. Peak 3406 from aliabs.peaks (1.58, 0.73, 25.24 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.2-3.2 3.1=100 HG LEU 103 + QD2 LEU 103 OK 87 87 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD2 LEU 103 poor 18 65 60 46 3.3-7.3 3.0/3386=9, 2.1/3409=6...(20) HG LEU 49 - QD2 LEU 103 far 0 100 0 - 6.6-11.6 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 7.8-11.3 Violated in 0 structures by 0.00 A. Peak 3407 from aliabs.peaks (1.79, 0.73, 25.24 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 100 + QD2 LEU 103 OK 23 83 45 61 3.3-6.8 9399/11832=9, ~11793=8...(19) HB3 LEU 122 - QD2 LEU 103 far 10 100 10 - 4.2-7.0 HB2 LEU 100 - QD2 LEU 103 far 9 60 15 - 3.8-6.7 HB3 LEU 98 - QD2 LEU 103 far 0 97 0 - 7.5-10.8 HB2 LEU 48 - QD2 LEU 103 far 0 93 0 - 8.4-14.2 Violated in 0 structures by 0.00 A. Peak 3408 from aliabs.peaks (1.56, 0.73, 25.24 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD2 LEU 103 OK 87 87 100 100 2.2-3.2 3.1=100 HB2 LEU 119 - QD2 LEU 103 far 0 93 0 - 4.2-6.9 HG LEU 49 - QD2 LEU 103 far 0 95 0 - 6.6-11.6 HG LEU 123 - QD2 LEU 103 far 0 99 0 - 7.8-11.3 Violated in 0 structures by 0.00 A. Peak 3409 from aliabs.peaks (0.78, 0.73, 25.24 ppm; 2.50 A): 2 out of 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 119 + QD2 LEU 103 OK 20 99 50 41 2.3-5.5 3791/2.1=6, 3790/3405=6...(18) QG1 VAL 63 - QD2 LEU 103 far 15 100 15 - 3.2-4.6 QD2 LEU 122 - QD2 LEU 103 poor 9 100 35 26 2.0-5.9 3376/3.1=6, 3.1/3386=4...(9) QD1 LEU 122 - QD2 LEU 103 poor 6 71 40 22 1.8-6.2 3.1/3386=4, 2.1/3406=3...(8) QD2 LEU 49 - QD2 LEU 103 far 0 90 0 - 3.8-8.7 QD1 LEU 53 - QD2 LEU 103 far 0 96 0 - 4.3-9.2 QD1 LEU 96 - QD2 LEU 103 far 0 99 0 - 5.0-7.8 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 7 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 101 - HA LEU 98 far 2 42 5 - 4.3-5.1 HB2 GLN 101 - HA GLN 104 far 0 89 0 - 7.0-8.8 HG2 GLN 68 - HA LEU 48 far 0 49 0 - 8.1-11.4 HB3 GLN 68 - HA LEU 48 far 0 81 0 - 9.1-11.9 HB2 GLN 104 - HA LEU 98 far 0 54 0 - 9.6-11.3 HB2 GLN 68 - HA LEU 48 far 0 42 0 - 9.6-11.9 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 2.2-2.7 3.0=100 HB3 GLU 97 + HA LEU 98 OK 25 53 50 95 3.8-5.6 7359/2.9=51, ~7358=31...(17) HG2 GLU 97 - HA LEU 98 poor 12 40 30 - 3.2-6.5 HB2 GLN 101 - HA LEU 98 far 2 41 5 - 4.3-5.1 HB3 GLU 102 - HA LEU 98 far 0 53 0 - 5.9-8.3 HB2 GLN 101 - HA GLN 104 far 0 87 0 - 7.0-8.8 HB3 GLU 102 - HA GLN 104 far 0 100 0 - 7.5-8.4 HB3 LEU 96 - HA LEU 98 far 0 40 0 - 7.9-8.7 HG2 GLN 68 - HA LEU 48 far 0 81 0 - 8.1-11.4 HB3 GLN 104 - HA LEU 98 far 0 54 0 - 8.2-11.4 HB2 GLN 68 - HA LEU 48 far 0 83 0 - 9.6-11.9 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 6 assignments used, quality = 1.00: * HG2 GLN 104 + HA GLN 104 OK 100 100 100 100 3.4-3.8 3.9=81, 1.8/3417=68...(22) HG3 GLU 97 - HA LEU 98 poor 9 37 25 - 3.2-6.7 HG3 GLU 55 - HA LEU 48 far 0 82 0 - 7.2-12.0 HG2 GLN 104 - HA LEU 98 far 0 54 0 - 7.5-9.0 HG3 GLN 61 - HA LEU 48 far 0 49 0 - 7.5-11.1 HB3 PRO 58 - HA GLN 104 far 0 60 0 - 9.6-11.6 Violated in 1 structures by 0.01 A. Peak 3417 from aliabs.peaks (2.47, 4.09, 58.10 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.8-4.2 3.9=94, 1.8/3416=79...(21) HG3 GLN 104 - HA LEU 98 far 0 54 0 - 7.5-9.3 HG3 GLU 44 - HA LEU 48 far 0 78 0 - 7.6-9.4 HG3 GLN 127 - HA LEU 48 far 0 83 0 - 8.0-10.3 HG2 GLU 55 - HA LEU 48 far 0 53 0 - 8.0-10.5 HG2 MET 11 - HA GLN 104 far 0 60 0 - 8.7-50.3 Violated in 19 structures by 0.32 A. Peak 3421 from aliabs.peaks (4.11, 2.19, 29.39 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.99: * HA GLN 101 + HB2 GLN 104 OK 92 100 95 97 4.1-5.6 3282/7493=64...(11) HA GLN 104 + HB2 GLN 104 OK 87 87 100 100 2.3-3.0 3.0=100 HA LEU 98 - HB2 GLN 104 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 3423 from aliabs.peaks (4.09, 2.19, 29.39 ppm; 4.47 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 101 + HB2 GLN 104 OK 61 87 75 94 4.1-5.6 3282/7493=47...(10) HA LEU 98 - HB2 GLN 104 far 0 87 0 - 9.6-11.3 HB THR 65 - HB2 GLN 104 far 0 73 0 - 9.9-13.0 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 4 assignments used, quality = 1.00: * HB3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB2 GLN 104 far 0 87 0 - 5.9-7.9 HB3 GLU 102 - HB2 GLN 104 far 0 100 0 - 7.6-9.5 HB3 GLU 97 - HB2 GLN 104 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3426 from aliabs.peaks (2.38, 2.19, 29.39 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.3-3.0 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 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB2 GLN 104 far 0 60 0 - 7.6-51.0 Violated in 0 structures by 0.00 A. Peak 3431 from aliabs.peaks (4.11, 2.22, 29.39 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.98: * HA GLN 101 + HB3 GLN 104 OK 88 100 90 98 2.9-5.7 3282/7494=64...(13) HA GLN 104 + HB3 GLN 104 OK 87 87 100 100 2.2-2.7 3.0=100 HA LEU 98 - HB3 GLN 104 far 0 100 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 3433 from aliabs.peaks (4.09, 2.22, 29.39 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-2.7 3.0=100 HA GLN 101 + HB3 GLN 104 OK 58 87 70 96 2.9-5.7 3282/7494=46...(12) HA LEU 98 - HB3 GLN 104 far 0 87 0 - 8.2-11.4 HB THR 65 - HB3 GLN 104 far 0 73 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 3434 from aliabs.peaks (2.19, 2.22, 29.39 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB3 GLN 104 far 0 89 0 - 5.1-7.9 HG2 GLN 68 - HB3 GLN 104 far 0 65 0 - 9.0-13.1 HB3 GLN 68 - HB3 GLN 104 far 0 99 0 - 9.5-13.5 HB2 GLN 68 - HB3 GLN 104 far 0 57 0 - 9.6-15.0 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 2.6-3.0 3.0=100 HG3 GLU 97 - HB3 GLN 104 far 0 81 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3437 from aliabs.peaks (2.47, 2.22, 29.39 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB3 GLN 104 far 0 60 0 - 7.3-49.7 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 3 assignments used, quality = 1.00: * HA GLN 104 + HG2 GLN 104 OK 100 100 100 100 3.4-3.8 3416=69, 3417/1.8=53...(22) HA GLN 101 + HG2 GLN 104 OK 63 87 100 73 2.0-4.0 3451/1.8=26...(11) HA LEU 98 - HG2 GLN 104 far 0 87 0 - 7.5-9.0 Violated in 1 structures by 0.01 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 2.3-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 4 89 5 - 3.5-5.5 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 5 assignments used, quality = 1.00: * HB3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 4 87 5 - 3.5-5.5 HB3 GLU 102 - HG2 GLN 104 far 0 100 0 - 6.2-7.2 HB3 GLU 97 - HG2 GLN 104 far 0 100 0 - 7.5-10.7 HG2 GLU 97 - HG2 GLN 104 far 0 85 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 3445 from aliabs.peaks (2.38, 2.38, 34.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 104 + HG2 GLN 104 OK 100 100 - 100 Peak 3446 from aliabs.peaks (2.47, 2.38, 34.44 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 11 - HG2 GLN 104 far 0 60 0 - 7.8-52.4 Violated in 0 structures by 0.00 A. Peak 3451 from aliabs.peaks (4.09, 2.47, 34.44 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.8-4.2 3417=67, 3416/1.8=63...(21) HA GLN 101 + HG3 GLN 104 OK 61 87 95 73 1.8-4.3 3442/1.8=29...(8) HA CYS 45 - HG3 GLU 44 far 0 46 0 - 6.2-6.7 HA LEU 98 - HG3 GLN 104 far 0 87 0 - 7.5-9.3 HA LEU 48 - HG3 GLU 44 far 0 71 0 - 7.6-9.4 HB THR 65 - HG3 GLN 104 far 0 73 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3452 from aliabs.peaks (2.19, 2.47, 34.44 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 4 89 5 - 3.4-6.5 HB VAL 133 - HG3 GLU 44 far 0 78 0 - 9.9-12.1 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 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 9 87 10 - 3.4-6.5 HB3 GLU 102 - HG3 GLN 104 far 0 100 0 - 6.9-8.3 HB3 GLU 97 - HG3 GLN 104 far 0 100 0 - 7.2-10.9 HG2 GLU 97 - HG3 GLN 104 far 0 85 0 - 9.4-12.0 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 3 assignments used, quality = 1.00: * HG2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 40 - HG3 GLU 44 far 0 68 0 - 4.2-8.6 HG3 GLU 97 - HG3 GLN 104 far 0 81 0 - 9.1-11.9 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 2.4-2.8 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 3 assignments used, quality = 1.00: * QG1 VAL 105 + HA VAL 105 OK 100 100 100 100 2.0-2.4 3.2=100 QG2 VAL 112 - HA VAL 105 far 0 57 0 - 8.9-13.7 QD1 LEU 119 - HA VAL 105 far 0 92 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3463 from aliabs.peaks (1.01, 4.18, 62.53 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 105 + HA VAL 105 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 118 - HA VAL 105 far 0 100 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 3465 from aliabs.peaks (4.05, 2.27, 31.70 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.95: * HA GLU 102 + HB VAL 105 OK 95 100 95 100 4.0-5.0 10086/2.1=90, 3331=55...(12) HD3 PRO 81 - HB VAL 132 far 0 53 0 - 6.5-10.8 HA ALA 92 - HB VAL 132 far 0 57 0 - 8.3-9.0 HA LEU 119 - HB3 PRO 113 far 0 68 0 - 8.8-12.3 Violated in 19 structures by 0.41 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 2.4-2.8 3.0=100 HA GLU 128 - HB VAL 132 far 0 49 0 - 6.0-7.3 HA ALA 88 - HB VAL 132 far 0 30 0 - 6.2-7.1 HA LEU 53 - HB3 PRO 113 far 0 95 0 - 7.3-12.9 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 - 4.3-5.2 QD1 LEU 119 - HB3 PRO 113 far 0 84 0 - 4.3-7.1 QD2 LEU 53 - HB3 PRO 113 far 0 87 0 - 6.4-11.9 QG2 VAL 112 - HB3 PRO 113 far 0 50 0 - 6.6-6.8 QG1 VAL 57 - HB3 PRO 113 far 0 89 0 - 6.7-12.1 QG1 VAL 126 - HB VAL 132 far 0 59 0 - 8.0-8.8 QG2 VAL 126 - HB VAL 132 far 0 55 0 - 8.7-10.0 QG2 VAL 112 - HB VAL 105 far 0 57 0 - 9.7-14.3 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 4 assignments used, quality = 1.00: * QG2 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 118 - HB VAL 105 far 0 100 0 - 6.7-9.3 QD1 LEU 69 - HB VAL 132 far 0 59 0 - 6.9-9.8 QG2 VAL 118 - HB3 PRO 113 far 0 94 0 - 9.1-12.9 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 4 assignments used, quality = 1.00: * HA VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.4 3.2=100 HA LEU 53 - QG1 VAL 57 far 0 67 0 - 5.7-6.5 HB THR 25 - QG1 VAL 57 far 0 60 0 - 8.0-36.1 HA LEU 53 - QG1 VAL 112 far 0 71 0 - 8.6-12.4 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 5 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 22 56 40 98 1.9-4.8 1.8/10937=40, 9377=39...(25) HB3 PRO 113 - QG1 VAL 112 far 0 68 0 - 4.3-5.2 HB3 PRO 113 - QG1 VAL 57 far 0 64 0 - 6.7-12.1 HG2 GLU 97 - QG1 VAL 105 far 0 76 0 - 8.2-13.0 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 4 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 - 6.4-8.7 QG2 VAL 118 - QG1 VAL 112 far 0 70 0 - 7.0-9.8 QG2 VAL 118 - QG1 VAL 57 far 0 65 0 - 10.0-12.1 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 1.7-2.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 3479 from aliabs.peaks (4.18, 1.01, 20.08 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 105 + QG2 VAL 105 OK 99 100 100 99 3.1-3.2 3.2=82, 3473/2.1=60...(11) Violated in 20 structures by 0.18 A. Peak 3480 from aliabs.peaks (2.27, 1.01, 20.08 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 97 - QG2 VAL 105 far 0 76 0 - 7.3-11.6 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 5 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 - 8.0-10.3 QG2 VAL 112 - QG2 VAL 105 far 0 57 0 - 8.2-11.1 QD2 LEU 53 - QG2 VAL 105 far 0 95 0 - 9.1-15.0 QG2 VAL 126 - QG2 VAL 105 far 0 98 0 - 9.6-11.1 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 6 assignments used, quality = 1.00: * HB2 SER 106 + HA SER 106 OK 100 100 100 100 2.3-3.0 3.0=99, 4.5/7546=26...(11) HB3 SER 106 + HA SER 106 OK 94 95 100 100 2.4-3.0 3.0=99, 4.5/7546=26...(11) HB3 SER 107 - HA SER 106 far 0 99 0 - 4.7-6.4 HD3 PRO 117 - HA SER 106 far 0 93 0 - 7.4-13.0 HA3 GLY 111 - HA SER 106 far 0 81 0 - 9.3-14.2 HA LEU 100 - HA SER 106 far 0 100 0 - 9.6-11.0 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 2.4-3.0 3.0=99, 4.5/7546=26...(10) HB2 SER 106 + HA SER 106 OK 94 95 100 100 2.3-3.0 3.0=99, 4.5/7546=26...(11) HB3 SER 107 - HA SER 106 far 0 83 0 - 4.7-6.4 HD3 PRO 117 - HA SER 106 far 0 65 0 - 7.4-13.0 HA LEU 100 - HA SER 106 far 0 92 0 - 9.6-11.0 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 2.4-3.0 3.0=100 HA SER 106 - HB3 SER 107 far 0 75 0 - 4.7-6.4 HA PRO 58 - HB3 SER 107 far 0 74 0 - 6.4-12.2 HA ASP 64 - HB3 SER 107 far 0 72 0 - 8.3-15.3 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 2.4-3.0 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 11 assignments used, quality = 1.00: * HB2 SER 107 + HA SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 33 + HA SER 33 OK 56 56 100 100 2.6-3.0 3.0=100 HA2 GLY 111 - HA SER 107 far 5 95 5 - 4.0-11.1 HB2 SER 60 - HA SER 107 far 0 97 0 - 4.8-11.3 HA3 GLY 111 - HA SER 107 far 0 65 0 - 5.0-10.5 HB3 SER 60 - HA SER 107 far 0 97 0 - 5.7-11.4 HA3 GLY 14 - HA SER 9 far 0 90 0 - 7.9-17.4 HA2 GLY 14 - HA SER 9 far 0 90 0 - 8.4-17.2 HA ALA 41 - HA SER 33 far 0 61 0 - 8.6-13.1 HA3 GLY 75 - HA SER 33 far 0 37 0 - 8.6-13.1 HD3 PRO 113 - HA SER 107 far 0 87 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 3502 from aliabs.peaks (3.96, 4.39, 58.42 ppm; 3.85 A): 3 out of 8 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 106 + HA SER 107 OK 41 83 55 89 4.2-6.0 ~7546=26, ~3488=26...(16) HB2 SER 106 + HA SER 107 OK 27 99 30 91 4.2-5.9 ~7546=26, ~3488=26...(16) HA2 GLY 111 - HA SER 107 far 3 63 5 - 4.0-11.1 HA3 GLY 111 - HA SER 107 far 0 93 0 - 5.0-10.5 HD3 PRO 117 - HA SER 107 far 0 99 0 - 5.5-13.4 HA LEU 100 - HA SER 107 far 0 100 0 - 8.1-9.9 HD3 PRO 113 - HA SER 107 far 0 76 0 - 9.5-14.1 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 6 assignments used, quality = 1.00: * HA SER 107 + HB2 SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 33 + HB2 SER 33 OK 72 72 100 100 2.6-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 0 73 0 - 7.6-16.4 HA PRO 117 - HB2 SER 107 far 0 71 0 - 8.2-18.2 HA THR 115 - HB2 SER 107 far 0 97 0 - 8.2-18.8 HA ASP 71 - HB2 SER 33 far 0 40 0 - 8.2-12.8 Violated in 0 structures by 0.00 A. Peak 3506 from aliabs.peaks (3.92, 3.92, 63.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 107 + HB2 SER 107 OK 100 100 - 100 HB2 SER 33 + HB2 SER 33 OK 66 66 - 100 Peak 3507 from aliabs.peaks (3.96, 3.92, 63.62 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 107 + HB2 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 111 - HB2 SER 107 far 0 63 0 - 4.3-12.6 HB3 SER 106 - HB2 SER 107 far 0 83 0 - 5.0-7.0 HB2 SER 106 - HB2 SER 107 far 0 99 0 - 5.3-7.3 HD3 PRO 117 - HB2 SER 107 far 0 99 0 - 5.5-15.5 HA3 GLY 111 - HB2 SER 107 far 0 93 0 - 5.7-12.0 HA LEU 100 - HB2 SER 107 far 0 100 0 - 7.4-12.3 HD3 PRO 113 - HB2 SER 107 far 0 76 0 - 9.6-16.2 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 7 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 107 + HB2 SER 106 OK 21 75 30 91 4.2-5.9 ~7546=26, ~3488=26...(15) HA PRO 117 - HB2 SER 106 far 0 46 0 - 8.4-14.2 HA PRO 117 - HB3 SER 107 far 0 71 0 - 9.2-17.7 HA THR 115 - HB2 SER 106 far 0 70 0 - 9.2-17.6 HA THR 115 - HB3 SER 107 far 0 97 0 - 9.3-18.8 HA PRO 113 - HB3 SER 107 far 0 73 0 - 9.3-16.2 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 10 assignments used, quality = 1.00: * HB2 SER 107 + HB3 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 60 - HB3 SER 107 far 0 97 0 - 3.7-10.0 HB2 SER 60 - HB3 SER 107 far 0 97 0 - 4.4-11.2 HB2 SER 107 - HB2 SER 106 far 0 75 0 - 5.3-7.3 HA2 GLY 111 - HB3 SER 107 far 0 95 0 - 5.5-12.8 HA3 GLY 111 - HB3 SER 107 far 0 65 0 - 5.8-12.0 HA3 GLY 111 - HB2 SER 106 far 0 42 0 - 7.0-14.4 HA2 GLY 111 - HB2 SER 106 far 0 66 0 - 7.8-14.1 HD3 PRO 113 - HB2 SER 106 far 0 59 0 - 9.3-17.4 HB2 SER 60 - HB2 SER 106 far 0 70 0 - 9.8-15.4 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 19 - HA ALA 16 far 9 90 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 59 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 58 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 61 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 94 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 94 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 100 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 97 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 99 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 49 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 82 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 36 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 38 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 64 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 38 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 34 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 75 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 78 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 92 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 73 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 38 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 37 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 94 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 66 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 37 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 38 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 93 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 27 0 - 10.0-18.9 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 65 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 5 95 5 - 3.6-12.8 HA THR 25 - QB ALA 29 far 4 86 5 - 3.0-10.9 HA ALA 109 - QB ALA 108 far 0 100 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 100 0 - 3.7-5.0 HA ALA 15 - QB ALA 16 far 0 86 0 - 3.7-4.3 HA ALA 16 - QB ALA 15 far 0 97 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 92 0 - 3.8-4.9 HA GLN 27 - QB ALA 28 far 0 51 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 100 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 97 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 99 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 93 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 94 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 94 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 92 0 - 4.5-7.6 HA THR 18 - QB ALA 16 far 0 85 0 - 4.6-7.3 HA THR 25 - QB ALA 28 far 0 87 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 96 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 92 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 95 0 - 5.1-10.2 HA ARG 23 - QB ALA 16 far 0 86 0 - 5.2-13.6 HA LYS 26 - QB ALA 29 far 0 91 0 - 5.2-10.0 HA GLN 27 - QB ALA 29 far 0 50 0 - 5.3-8.0 HA LYS 19 - QB ALA 16 far 0 84 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 83 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 93 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 88 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 92 0 - 5.8-7.6 HA SER 74 - QB ALA 16 far 0 80 0 - 5.9-32.2 HB THR 115 - QB ALA 108 far 0 100 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 95 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 78 0 - 6.7-18.6 HA ALA 21 - QB ALA 16 far 0 69 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 83 0 - 6.7-12.6 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 95 0 - 7.0-26.2 HA LEU 22 - QB ALA 16 far 0 78 0 - 7.1-12.8 HA ALA 21 - QB ALA 15 far 0 81 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 93 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 79 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 95 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 99 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 97 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 95 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 88 0 - 8.0-17.1 HA LYS 26 - QB ALA 16 far 0 82 0 - 8.1-18.7 HA GLN 61 - QB ALA 28 far 0 95 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 95 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 94 0 - 8.2-21.5 HA LYS 36 - QB ALA 16 far 0 83 0 - 8.3-29.6 HA GLN 61 - QB ALA 15 far 0 97 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 100 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 95 0 - 8.6-21.3 HA GLN 27 - QB ALA 15 far 0 53 0 - 8.8-20.5 HA THR 18 - QB ALA 29 far 0 94 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 92 0 - 9.0-35.4 HA GLN 27 - QB ALA 16 far 0 43 0 - 9.1-20.0 HA GLN 61 - QB ALA 109 far 0 94 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 93 0 - 9.6-14.8 HA THR 25 - QB ALA 16 far 0 77 0 - 9.9-18.5 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 37 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 19 - HA ALA 16 far 7 75 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 99 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 100 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 99 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 88 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 62 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 58 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 59 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 59 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 62 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 85 0 - 5.1-10.2 QB ALA 34 - HA ALA 16 far 0 53 0 - 5.1-27.1 QB ALA 34 - HA ALA 15 far 0 64 0 - 5.6-27.3 HG2 LYS 19 - HA ALA 21 far 0 51 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 59 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 88 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 61 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 64 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 86 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 72 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 51 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 63 0 - 7.2-12.2 QB ALA 34 - HA ALA 21 far 0 35 0 - 7.6-26.0 QB ALA 28 - HA ALA 21 far 0 64 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 86 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 100 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 64 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 63 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 90 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 33 0 - 10.0-18.9 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 65 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 THR 25 - QB ALA 29 far 4 82 5 - 3.0-10.9 HA ARG 23 - QB ALA 28 far 0 99 0 - 3.6-12.8 HA ALA 109 - QB ALA 108 far 0 94 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 98 0 - 3.7-5.0 HA ALA 15 - QB ALA 16 far 0 99 0 - 3.7-4.3 HA ALA 16 - QB ALA 15 far 0 97 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 99 0 - 3.8-4.9 HA GLN 27 - QB ALA 28 far 0 55 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 98 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 97 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 92 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 100 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 100 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 98 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 97 0 - 4.5-7.6 HA THR 18 - QB ALA 16 far 0 99 0 - 4.6-7.3 HA THR 25 - QB ALA 28 far 0 93 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 96 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 89 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 95 0 - 5.1-10.2 HA ARG 23 - QB ALA 16 far 0 99 0 - 5.2-13.6 HA LYS 26 - QB ALA 29 far 0 87 0 - 5.2-10.0 HA GLN 27 - QB ALA 29 far 0 47 0 - 5.3-8.0 HA LYS 19 - QB ALA 16 far 0 98 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 98 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 98 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 94 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 89 0 - 5.8-7.6 HA SER 74 - QB ALA 16 far 0 95 0 - 5.9-32.2 HB THR 115 - QB ALA 108 far 0 93 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 91 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 74 0 - 6.7-18.6 HA ALA 21 - QB ALA 16 far 0 85 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 97 0 - 6.7-12.6 HA GLN 61 - QB ALA 110 far 0 98 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 91 0 - 7.0-26.2 HA LEU 22 - QB ALA 16 far 0 94 0 - 7.1-12.8 HA ALA 21 - QB ALA 15 far 0 82 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 89 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 85 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 91 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 97 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 97 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 95 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 84 0 - 8.0-17.1 HA LYS 26 - QB ALA 16 far 0 97 0 - 8.1-18.7 HA GLN 61 - QB ALA 28 far 0 99 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 99 0 - 8.1-17.7 HA LYS 26 - QB ALA 15 far 0 94 0 - 8.2-21.5 HA LYS 36 - QB ALA 16 far 0 98 0 - 8.3-29.6 HA GLN 61 - QB ALA 15 far 0 97 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 94 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 99 0 - 8.6-21.3 HA GLN 27 - QB ALA 15 far 0 53 0 - 8.8-20.5 HA THR 18 - QB ALA 29 far 0 90 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 92 0 - 9.0-35.4 HA GLN 27 - QB ALA 16 far 0 56 0 - 9.1-20.0 HA GLN 61 - QB ALA 109 far 0 100 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 98 0 - 9.6-14.8 HA THR 25 - QB ALA 16 far 0 93 0 - 9.9-18.5 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): 4 out of 6 assignments used, quality = 1.00: * H ALA 110 + HA ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 21 + HA ALA 21 OK 63 63 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 62 62 100 100 2.1-3.6 3.6=100 H ALA 110 + HA ALA 108 OK 21 97 100 21 3.3-6.5 11478/11966=10, 3529/2.1=8 H ALA 21 - HA ALA 16 lone 2 90 30 6 6.2-9.9 4.3/11966=3 H ALA 21 - HA ALA 15 far 0 73 0 - 8.0-12.6 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 19 - HA ALA 16 far 8 83 10 - 2.8-8.6 QB ALA 108 - HA ALA 109 far 0 62 0 - 3.6-4.4 QB ALA 110 - HA ALA 109 far 0 62 0 - 3.7-5.0 QB ALA 16 - HA ALA 15 far 0 70 0 - 3.7-4.3 QB ALA 15 - HA ALA 16 far 0 91 0 - 3.7-5.1 QB ALA 109 - HA ALA 110 far 0 100 0 - 3.8-4.9 QB ALA 110 - HA ALA 108 far 0 97 0 - 4.0-7.1 QB ALA 108 - HA ALA 110 far 0 100 0 - 4.1-7.2 QB ALA 109 - HA ALA 108 far 0 96 0 - 4.1-5.0 QB ALA 12 - HA ALA 15 far 0 49 0 - 4.9-9.6 QB ALA 15 - HA ALA 12 far 0 95 0 - 5.1-10.2 HG2 LYS 19 - HA ALA 21 far 0 57 0 - 6.0-8.5 HG2 LYS 24 - HA ALA 21 far 0 62 0 - 6.1-9.3 HG2 LYS 19 - HA ALA 15 far 0 66 0 - 6.3-11.0 QB ALA 29 - HA ALA 21 far 0 63 0 - 6.7-18.6 QB ALA 16 - HA ALA 21 far 0 60 0 - 6.7-10.0 QB ALA 16 - HA ALA 12 far 0 91 0 - 6.7-12.6 HG2 LYS 19 - HA ALA 12 far 0 88 0 - 6.7-20.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 6.9-24.0 QB ALA 12 - HA ALA 16 far 0 63 0 - 7.0-12.2 QB ALA 15 - HA ALA 21 far 0 64 0 - 7.2-12.2 QB ALA 28 - HA ALA 21 far 0 64 0 - 7.6-17.3 QB ALA 29 - HA ALA 16 far 0 90 0 - 7.7-23.1 HG3 LYS 31 - HA ALA 15 far 0 73 0 - 7.7-25.1 HG3 LYS 31 - HA ALA 21 far 0 63 0 - 8.0-23.4 HG3 LYS 26 - HA ALA 21 far 0 64 0 - 8.5-15.4 QB ALA 28 - HA ALA 16 far 0 91 0 - 8.6-21.3 QB ALA 12 - HA ALA 21 far 0 41 0 - 10.0-18.9 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 62 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 5 96 5 - 3.6-12.8 HA THR 25 - QB ALA 29 far 5 92 5 - 3.0-10.9 HA ALA 109 - QB ALA 108 far 0 98 0 - 3.6-4.4 HA ALA 109 - QB ALA 110 far 0 99 0 - 3.7-5.0 HA ALA 15 - QB ALA 16 far 0 92 0 - 3.7-4.3 HA ALA 16 - QB ALA 15 far 0 95 0 - 3.7-5.1 HA ALA 110 - QB ALA 109 far 0 98 0 - 3.8-4.9 HA ALA 108 - QB ALA 110 far 0 99 0 - 4.0-7.1 HA THR 18 - QB ALA 15 far 0 98 0 - 4.0-9.7 HA ALA 110 - QB ALA 108 far 0 100 0 - 4.1-7.2 HB THR 115 - QB ALA 109 far 0 92 0 - 4.1-12.5 HA ALA 108 - QB ALA 109 far 0 96 0 - 4.1-5.0 HA LYS 19 - QB ALA 28 far 0 90 0 - 4.2-16.4 HA LYS 26 - QB ALA 28 far 0 86 0 - 4.5-7.6 HA THR 18 - QB ALA 16 far 0 93 0 - 4.6-7.3 HA THR 25 - QB ALA 28 far 0 96 0 - 4.7-10.0 HA LYS 19 - QB ALA 15 far 0 90 0 - 4.7-11.8 HA LYS 36 - QB ALA 29 far 0 94 0 - 4.9-11.6 HA ALA 12 - QB ALA 15 far 0 98 0 - 5.1-10.2 HA ARG 23 - QB ALA 16 far 0 92 0 - 5.2-13.6 HA LYS 26 - QB ALA 29 far 0 81 0 - 5.2-10.0 HA LYS 19 - QB ALA 16 far 0 85 0 - 5.3-9.1 HA LYS 31 - QB ALA 16 far 0 83 0 - 5.6-21.8 HA LYS 31 - QB ALA 28 far 0 89 0 - 5.6-7.9 HA LEU 22 - QB ALA 28 far 0 80 0 - 5.7-16.5 HA LYS 31 - QB ALA 29 far 0 84 0 - 5.8-7.6 HA SER 74 - QB ALA 16 far 0 93 0 - 5.9-32.2 HB THR 115 - QB ALA 108 far 0 95 0 - 6.4-12.1 HA ARG 23 - QB ALA 29 far 0 92 0 - 6.6-14.2 HA ALA 21 - QB ALA 29 far 0 88 0 - 6.7-18.6 HA ALA 21 - QB ALA 16 far 0 87 0 - 6.7-10.0 HA ALA 12 - QB ALA 16 far 0 93 0 - 6.7-12.6 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.8-14.7 HA GLN 61 - QB ALA 29 far 0 93 0 - 7.0-26.2 HA LEU 22 - QB ALA 16 far 0 75 0 - 7.1-12.8 HA ALA 21 - QB ALA 15 far 0 93 0 - 7.2-12.2 HA LYS 19 - QB ALA 29 far 0 85 0 - 7.3-18.3 HA ALA 21 - QB ALA 28 far 0 93 0 - 7.6-17.3 HA ALA 16 - QB ALA 29 far 0 91 0 - 7.7-23.1 HB THR 115 - QB ALA 110 far 0 96 0 - 7.7-10.4 HA ARG 23 - QB ALA 15 far 0 97 0 - 7.8-16.4 HA LYS 31 - QB ALA 15 far 0 89 0 - 7.8-21.9 HA LEU 22 - QB ALA 29 far 0 75 0 - 8.0-17.1 HA LYS 26 - QB ALA 16 far 0 80 0 - 8.1-18.7 HA GLN 61 - QB ALA 28 far 0 97 0 - 8.1-27.5 HA THR 18 - QB ALA 28 far 0 97 0 - 8.1-17.7 HA TYR 76 - QB ALA 16 far 0 66 0 - 8.2-32.1 HA LYS 26 - QB ALA 15 far 0 86 0 - 8.2-21.5 HA LYS 36 - QB ALA 16 far 0 93 0 - 8.3-29.6 HA GLN 61 - QB ALA 15 far 0 97 0 - 8.4-36.4 HA GLN 61 - QB ALA 108 far 0 99 0 - 8.5-14.1 HA ALA 16 - QB ALA 28 far 0 95 0 - 8.6-21.3 HA THR 18 - QB ALA 29 far 0 93 0 - 8.8-20.4 HA SER 74 - QB ALA 15 far 0 97 0 - 9.0-35.4 HA GLN 61 - QB ALA 109 far 0 97 0 - 9.4-13.4 HA LYS 36 - QB ALA 28 far 0 98 0 - 9.6-14.8 HA THR 25 - QB ALA 16 far 0 92 0 - 9.9-18.5 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 5 assignments used, quality = 1.00: * HB VAL 112 + HA VAL 112 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 PRO 56 - HA VAL 112 far 0 89 0 - 4.8-10.7 HB VAL 57 - HA VAL 112 far 0 68 0 - 8.0-12.3 HB3 GLN 61 - HA VAL 112 far 0 92 0 - 9.1-13.9 HB2 GLN 61 - HA VAL 112 far 0 87 0 - 9.8-14.2 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 2.3-2.9 3557=100, 2.1/3562=68...(19) QD1 LEU 119 - HA VAL 112 far 0 92 0 - 4.5-7.6 QD1 LEU 62 - HA VAL 112 far 0 97 0 - 5.7-9.7 QG1 VAL 57 - HA VAL 112 far 0 85 0 - 7.5-11.5 QG2 VAL 63 - HA VAL 112 far 0 95 0 - 9.2-11.9 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 1.9-2.5 3562=100, 2.1/3557=64...(21) QD1 LEU 119 - HA VAL 112 far 0 65 0 - 4.5-7.6 QG1 VAL 57 - HA VAL 112 far 0 76 0 - 7.5-11.5 QD2 LEU 53 - HA VAL 112 far 0 100 0 - 8.9-12.9 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 2.8-3.0 3.0=100 HA THR 115 - HB VAL 112 far 0 83 0 - 5.1-6.3 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 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 92 0 - 4.7-6.2 QD1 LEU 62 - HB VAL 112 far 0 97 0 - 6.1-8.9 QG1 VAL 57 - HB VAL 112 far 0 85 0 - 8.5-12.6 QG2 VAL 63 - HB VAL 112 far 0 95 0 - 8.8-11.4 QG2 ILE 37 - HB2 PRO 81 far 0 71 0 - 9.9-12.8 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 - 4.7-6.2 QG1 VAL 57 - HB VAL 112 far 0 76 0 - 8.5-12.6 QD2 LEU 53 - HB VAL 112 far 0 100 0 - 8.8-13.0 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 2.3-2.9 3549=84, 3562/2.1=61...(19) HA THR 115 - QG2 VAL 112 far 0 83 0 - 5.8-7.2 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 - 5.9-10.6 HB VAL 57 - QG2 VAL 112 far 0 68 0 - 8.0-12.0 HB3 GLN 61 - QG2 VAL 112 far 0 92 0 - 8.3-14.1 HB2 GLN 61 - QG2 VAL 112 far 0 87 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 3559 from aliabs.peaks (0.92, 0.92, 20.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 112 + QG2 VAL 112 OK 100 100 - 100 Peak 3560 from aliabs.peaks (0.96, 0.92, 20.13 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 112 far 0 65 0 - 4.8-6.9 QG1 VAL 57 - QG2 VAL 112 far 0 76 0 - 7.6-11.2 QD2 LEU 53 - QG2 VAL 112 far 0 100 0 - 8.8-11.9 QG1 VAL 105 - QG2 VAL 112 far 0 96 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 3562 from aliabs.peaks (4.42, 0.96, 20.76 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 100 100 1.9-2.5 3550=93, 3557/2.1=61...(21) HA THR 115 - QG1 VAL 112 far 4 83 5 - 3.9-6.0 HA MET 11 - QG1 VAL 105 far 4 70 5 - 3.7-43.4 HA THR 54 - QG1 VAL 112 far 0 100 0 - 9.8-14.2 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 - 5.4-9.7 HB2 GLU 97 - QG1 VAL 105 far 0 55 0 - 7.9-12.1 HB VAL 57 - QG1 VAL 112 far 0 68 0 - 8.4-11.8 HB3 GLN 61 - QG1 VAL 112 far 0 92 0 - 9.3-12.9 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 9 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 119 - QG1 VAL 112 far 0 92 0 - 4.9-6.2 QG2 VAL 63 - QG1 VAL 105 far 0 63 0 - 5.3-6.6 QD1 LEU 62 - QG1 VAL 112 far 0 97 0 - 6.3-8.8 QG1 VAL 57 - QG1 VAL 112 far 0 85 0 - 7.9-10.9 QD1 LEU 62 - QG1 VAL 105 far 0 66 0 - 8.6-10.6 QG2 VAL 63 - QG1 VAL 112 far 0 95 0 - 9.0-11.0 QG2 VAL 112 - QG1 VAL 105 far 0 71 0 - 9.1-12.8 QD1 LEU 119 - QG1 VAL 105 far 0 60 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3565 from aliabs.peaks (0.96, 0.96, 20.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 112 + QG1 VAL 112 OK 100 100 - 100 QG1 VAL 105 + QG1 VAL 105 OK 64 64 - 100 Peak 3566 from aliabs.peaks (4.42, 3.70, 50.81 ppm; 3.01 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.1-2.4 3567=100, 3569/1.8=71...(30) HA THR 115 - HD2 PRO 113 far 0 83 0 - 6.0-8.0 HA THR 54 - HD2 PRO 113 far 0 100 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3567 from aliabs.peaks (3.70, 4.42, 59.83 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA VAL 112 OK 100 100 100 100 2.1-2.4 3566=100, 1.8/3569=71...(30) 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 7 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 - 4.6-7.0 HA THR 115 - HD3 PRO 113 far 0 83 0 - 7.4-8.9 HA VAL 112 - HD3 PRO 117 far 0 73 0 - 7.9-12.6 HA THR 54 - HD3 PRO 113 far 0 100 0 - 8.5-15.1 HA HIS 5 - HD3 PRO 117 far 0 70 0 - 8.8-72.3 HA ASN 120 - HD3 PRO 117 far 0 72 0 - 9.0-9.8 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 8 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...(30) HA2 GLY 111 - HA VAL 112 far 0 100 0 - 4.4-5.2 HA3 GLY 111 - HA VAL 112 far 0 98 0 - 4.4-5.0 HD3 PRO 117 - HA VAL 112 far 0 90 0 - 7.9-12.6 HB2 SER 107 - HA VAL 112 far 0 87 0 - 8.0-14.1 HB3 SER 107 - HA VAL 112 far 0 76 0 - 9.0-14.4 HB2 SER 60 - HA VAL 112 far 0 63 0 - 9.2-15.2 HB3 SER 60 - HA VAL 112 far 0 63 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3570 from aliabs.peaks (4.36, 3.70, 50.81 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 HA SER 107 - HD2 PRO 113 far 0 73 0 - 8.6-14.2 HA PRO 117 - HD2 PRO 113 far 0 100 0 - 9.8-12.9 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; 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 20 structures by 0.14 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 - 8.4-13.4 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 5 assignments used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 58 - HD2 PRO 113 far 0 99 0 - 9.1-14.2 HB VAL 118 - HD2 PRO 113 far 0 99 0 - 9.5-13.3 HG3 PRO 117 - HD2 PRO 113 far 0 99 0 - 9.6-14.7 HG2 PRO 117 - HD2 PRO 113 far 0 99 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3575 from aliabs.peaks (3.70, 3.70, 50.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 Peak 3576 from aliabs.peaks (3.94, 3.70, 50.81 ppm; 2.76 A): 1 out of 5 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 - 6.4-7.2 HA3 GLY 111 - HD2 PRO 113 far 0 98 0 - 6.5-7.0 HD3 PRO 117 - HD2 PRO 113 far 0 90 0 - 7.7-12.7 HB2 SER 107 - HD2 PRO 113 far 0 87 0 - 9.1-16.0 Violated in 0 structures by 0.00 A. Peak 3578 from aliabs.peaks (4.36, 3.94, 50.81 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 117 + HD3 PRO 117 OK 73 73 100 100 4.1-4.1 3.6=100 HA SER 107 - HD3 PRO 117 far 2 46 5 - 5.5-13.4 HA PRO 113 - HD3 PRO 117 far 0 73 0 - 7.3-11.7 HA SER 107 - HD3 PRO 113 far 0 73 0 - 9.5-14.1 HA PRO 117 - HD3 PRO 113 far 0 100 0 - 9.8-13.8 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 4 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 HB2 PRO 113 - HD3 PRO 117 far 0 73 0 - 9.4-13.6 HG2 PRO 113 - HD3 PRO 117 far 0 50 0 - 9.9-14.4 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 2 assignments used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 113 - HD3 PRO 117 far 0 73 0 - 9.5-12.9 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 5 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 - 7.5-12.5 HB2 PRO 113 - HD3 PRO 117 far 0 50 0 - 9.4-13.6 HG2 PRO 113 - HD3 PRO 117 far 0 73 0 - 9.9-14.4 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 10 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 3 70 5 - 4.4-5.5 HB2 GLU 102 - HD3 PRO 117 far 0 46 0 - 6.0-10.6 HG3 PRO 58 - HD3 PRO 113 far 0 99 0 - 7.7-13.1 HB3 GLU 55 - HD3 PRO 113 far 0 90 0 - 8.4-14.7 HG3 PRO 113 - HD3 PRO 117 far 0 73 0 - 8.4-13.1 HB VAL 118 - HD3 PRO 113 far 0 99 0 - 8.5-13.7 HB2 LEU 62 - HD3 PRO 113 far 0 100 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 3583 from aliabs.peaks (3.70, 3.94, 50.81 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 113 - HD3 PRO 117 far 0 73 0 - 7.7-12.7 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 68 78 100 87 4.0-4.0 3.8=71, 11545/4.9=23...(6) HB2 ARG 90 - HA CYS 73 far 0 54 0 - 7.1-9.6 HG LEU 53 - HA PRO 113 far 0 68 0 - 8.6-13.3 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 - 7.5-8.8 HG2 GLN 61 - HA PRO 113 far 0 99 0 - 9.6-15.8 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 88 100 100 88 4.0-4.0 3.8=71, 11545/4.9=27...(6) 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 - 7.1-9.6 HB2 PRO 58 - HA PRO 113 far 0 89 0 - 7.4-13.4 HB3 ARG 90 - HA CYS 73 far 0 40 0 - 7.4-9.7 HG LEU 53 - HA PRO 113 far 0 100 0 - 8.6-13.3 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 9 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 118 - HA PRO 113 far 0 99 0 - 6.4-11.8 HG3 PRO 58 - HA PRO 113 far 0 99 0 - 7.6-14.2 HB3 GLU 55 - HA PRO 113 far 0 90 0 - 7.6-12.1 HB2 LEU 62 - HA PRO 113 far 0 100 0 - 8.0-12.1 HB3 LYS 39 - HA CYS 73 far 0 37 0 - 8.2-11.0 HG3 PRO 117 - HA PRO 113 far 0 99 0 - 8.8-13.8 HG2 PRO 117 - HA PRO 113 far 0 99 0 - 9.0-13.5 HB2 GLU 128 - HA CYS 73 far 0 35 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 3591 from aliabs.peaks (3.70, 4.36, 63.99 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3592 from aliabs.peaks (3.94, 4.36, 63.99 ppm; 4.03 A): 1 out of 7 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 - 6.3-7.7 HA3 GLY 111 - HA PRO 113 far 0 98 0 - 6.3-7.5 HD3 PRO 117 - HA PRO 113 far 0 90 0 - 7.3-11.7 HB2 SER 107 - HA PRO 113 far 0 87 0 - 7.6-16.4 HB3 SER 107 - HA PRO 113 far 0 76 0 - 9.3-16.2 HA ALA 41 - HA CYS 73 far 0 36 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3594 from aliabs.peaks (4.36, 1.91, 31.65 ppm; 3.49 A): 1 out of 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 PRO 117 - HB2 PRO 113 far 0 100 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 3595 from aliabs.peaks (1.91, 1.91, 31.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 Peak 3596 from aliabs.peaks (2.27, 1.91, 31.65 ppm; 2.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HB2 PRO 113 far 0 99 0 - 9.9-16.5 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 5 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 - 7.6-12.0 HB2 LEU 62 - HB2 PRO 113 far 0 100 0 - 7.7-13.6 HB VAL 118 - HB2 PRO 113 far 0 99 0 - 7.8-13.7 HG3 PRO 58 - HB2 PRO 113 far 0 99 0 - 8.3-14.7 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 6 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HA3 GLY 111 - HB2 PRO 113 far 0 98 0 - 7.3-8.4 HA2 GLY 111 - HB2 PRO 113 far 0 100 0 - 7.4-8.9 HD3 PRO 117 - HB2 PRO 113 far 0 90 0 - 9.4-13.6 HB2 SER 60 - HB2 PRO 113 far 0 63 0 - 9.5-18.0 HB2 SER 107 - HB2 PRO 113 far 0 87 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 3602 from aliabs.peaks (4.36, 2.27, 31.65 ppm; 3.05 A): 1 out of 7 assignments used, quality = 1.00: * HA PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HA SER 107 - HB VAL 105 far 0 65 0 - 6.9-7.9 HA GLN 134 - HB VAL 132 far 0 77 0 - 7.2-7.8 HA CYS 73 - HB VAL 132 far 0 77 0 - 7.5-8.8 HA PRO 117 - HB3 PRO 113 far 0 100 0 - 7.9-12.5 HA CYS 125 - HB VAL 132 far 0 80 0 - 8.9-10.5 HA SER 107 - HB3 PRO 113 far 0 73 0 - 9.9-15.9 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 - 4.8-6.9 HB2 MET 11 - HB VAL 105 far 0 92 0 - 6.7-54.9 HB2 ARG 90 - HB VAL 132 far 0 84 0 - 8.2-10.1 HB3 ARG 84 - HB VAL 132 far 0 82 0 - 9.0-11.2 HG LEU 53 - HB3 PRO 113 far 0 68 0 - 9.8-15.5 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 10 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 HB2 MET 11 - HB VAL 105 far 0 85 0 - 6.7-54.9 HB3 LYS 86 - HB VAL 132 far 0 53 0 - 7.8-8.9 HB2 ARG 90 - HB VAL 132 far 0 65 0 - 8.2-10.1 HB3 ARG 90 - HB VAL 132 far 0 65 0 - 8.4-9.8 HB2 PRO 58 - HB3 PRO 113 far 0 89 0 - 8.7-15.6 HB3 ARG 84 - HB VAL 132 far 0 46 0 - 9.0-11.2 HB3 PRO 81 - HB VAL 132 far 0 63 0 - 9.1-13.1 HG LEU 53 - HB3 PRO 113 far 0 100 0 - 9.8-15.5 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 16 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 - 4.4-6.4 HB2 GLU 128 - HB VAL 132 far 0 57 0 - 5.7-8.2 HG3 GLN 134 - HB VAL 132 far 0 65 0 - 6.4-8.9 HB2 GLU 102 - HB VAL 105 far 0 65 0 - 6.6-7.5 HG3 PRO 81 - HB VAL 132 far 0 81 0 - 7.3-11.0 HB3 GLU 55 - HB3 PRO 113 far 0 90 0 - 8.1-13.2 HB3 GLU 91 - HB VAL 132 far 0 53 0 - 8.1-10.1 HB VAL 118 - HB VAL 105 far 0 92 0 - 8.6-12.4 QE MET 11 - HB VAL 105 far 0 50 0 - 8.8-48.8 HB VAL 118 - HB3 PRO 113 far 0 99 0 - 8.9-13.4 HB3 LYS 39 - HB VAL 132 far 0 61 0 - 9.0-11.3 HB2 LEU 62 - HB3 PRO 113 far 0 100 0 - 9.1-14.8 HB2 PRO 81 - HB VAL 132 far 0 57 0 - 9.4-13.3 HG3 PRO 58 - HB3 PRO 113 far 0 99 0 - 9.5-16.3 HB2 GLN 127 - HB VAL 132 far 0 80 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3607 from aliabs.peaks (3.70, 2.27, 31.65 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 20 structures by 0.09 A. Peak 3608 from aliabs.peaks (3.94, 2.27, 31.65 ppm; 3.87 A): 1 out of 8 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 - 6.0-8.3 HB2 SER 107 - HB VAL 105 far 0 79 0 - 6.6-8.6 HA2 GLY 111 - HB3 PRO 113 far 0 100 0 - 8.6-9.7 HA3 GLY 111 - HB3 PRO 113 far 0 98 0 - 8.6-9.5 HA LEU 100 - HB VAL 105 far 0 55 0 - 8.8-10.3 HD3 PRO 117 - HB3 PRO 113 far 0 90 0 - 9.5-12.9 HB2 SER 107 - HB3 PRO 113 far 0 87 0 - 9.6-18.7 Violated in 20 structures by 0.05 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 5 assignments used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 55 - HG2 PRO 113 far 0 90 0 - 8.4-13.9 HG3 PRO 58 - HG2 PRO 113 far 0 99 0 - 8.7-15.2 HB2 LEU 62 - HG2 PRO 113 far 0 100 0 - 9.5-15.1 HB VAL 118 - HG2 PRO 113 far 0 99 0 - 9.8-14.9 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 5 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 - 7.8-8.7 HA2 GLY 111 - HG2 PRO 113 far 0 100 0 - 8.0-9.3 HD3 PRO 117 - HG2 PRO 113 far 0 90 0 - 9.9-14.4 HB2 SER 60 - HG2 PRO 113 far 0 63 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 3618 from aliabs.peaks (4.36, 2.06, 27.50 ppm; 5.05 A): 4 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 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 GLN 134 + HG3 PRO 81 OK 24 77 60 52 4.2-10.9 11761/10574=37...(3) HA CYS 125 - HB2 GLN 127 poor 15 77 20 - 5.0-6.5 HA ASP 47 - HB2 GLN 127 far 0 44 0 - 6.2-8.8 HA SER 107 - HG2 PRO 117 far 0 58 0 - 7.3-14.7 HA PRO 113 - HG3 PRO 58 far 0 76 0 - 7.6-14.2 HA SER 107 - HG3 PRO 117 far 0 58 0 - 7.9-16.0 HA PRO 113 - HG3 PRO 117 far 0 88 0 - 8.8-13.8 HA PRO 113 - HG2 PRO 117 far 0 88 0 - 9.0-13.5 HA SER 107 - HG3 PRO 58 far 0 49 0 - 9.2-13.8 HA PRO 117 - HG3 PRO 113 far 0 100 0 - 9.6-12.9 HA SER 107 - HG3 PRO 113 far 0 73 0 - 9.6-15.5 HA ASP 78 - HG3 PRO 81 far 0 65 0 - 9.8-10.9 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 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 61 0 - 4.4-8.3 HB3 LEU 49 - HB2 GLN 127 far 0 80 0 - 6.9-11.8 HG LEU 53 - HB2 GLN 127 far 0 48 0 - 7.1-10.8 HB3 ARG 84 - HG3 PRO 81 far 0 82 0 - 7.8-11.3 HB2 PRO 113 - HG3 PRO 58 far 0 76 0 - 8.3-14.7 HG2 PRO 113 - HG3 PRO 58 far 0 52 0 - 8.7-15.2 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 7 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 4 74 5 - 3.8-6.5 HB VAL 132 - HG3 PRO 81 far 0 82 0 - 7.3-11.0 HG2 GLU 40 - HG3 PRO 81 far 0 72 0 - 9.2-16.8 HB3 PRO 113 - HG3 PRO 58 far 0 76 0 - 9.5-16.3 HB VAL 132 - HB2 GLN 127 far 0 80 0 - 9.8-11.3 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 11 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 LEU 49 - HB2 GLN 127 far 0 66 0 - 6.9-11.8 HG LEU 53 - HB2 GLN 127 far 0 81 0 - 7.1-10.8 HB3 LYS 86 - HG3 PRO 81 far 0 53 0 - 7.6-10.4 HB3 ARG 84 - HG3 PRO 81 far 0 46 0 - 7.8-11.3 HB2 PRO 113 - HG3 PRO 58 far 0 52 0 - 8.3-14.7 HG2 PRO 113 - HG3 PRO 58 far 0 76 0 - 8.7-15.2 HB2 PRO 58 - HG3 PRO 113 far 0 89 0 - 9.2-15.3 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 4 assignments used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 113 - HG3 PRO 58 far 0 76 0 - 9.1-14.2 HD2 PRO 113 - HG3 PRO 117 far 0 88 0 - 9.6-14.7 HD2 PRO 113 - HG2 PRO 117 far 0 88 0 - 9.9-14.7 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 23 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 HB3 SER 60 - HG3 PRO 58 poor 14 41 35 - 4.4-6.0 HA2 GLY 111 - HG3 PRO 58 far 7 75 10 - 4.7-16.5 HA3 GLY 111 - HG3 PRO 58 far 7 72 10 - 4.2-15.3 HB2 SER 60 - HG3 PRO 58 far 6 41 15 - 4.0-6.6 HA3 GLY 111 - HG2 PRO 117 far 0 83 0 - 5.7-16.8 HA3 GLY 111 - HG3 PRO 117 far 0 83 0 - 6.2-17.3 HA2 GLY 111 - HG2 PRO 117 far 0 86 0 - 6.6-17.0 HA2 GLY 111 - HG3 PRO 117 far 0 86 0 - 6.6-17.8 HB2 SER 107 - HG2 PRO 117 far 0 70 0 - 7.1-16.7 HB3 SER 107 - HG2 PRO 117 far 0 60 0 - 7.6-16.0 HD3 PRO 113 - HG3 PRO 58 far 0 76 0 - 7.7-13.1 HB2 SER 107 - HG3 PRO 117 far 0 70 0 - 8.1-18.0 HB3 SER 107 - HG3 PRO 58 far 0 51 0 - 8.2-14.4 HA2 GLY 111 - HG3 PRO 113 far 0 100 0 - 8.2-9.1 HA3 GLY 111 - HG3 PRO 113 far 0 98 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 90 0 - 8.4-13.1 HB2 SER 107 - HG3 PRO 58 far 0 60 0 - 8.7-16.1 HB3 SER 107 - HG3 PRO 117 far 0 60 0 - 8.8-17.4 HA LEU 100 - HG2 PRO 117 far 0 49 0 - 9.1-10.6 HB2 SER 107 - HG3 PRO 113 far 0 87 0 - 9.8-18.0 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 CYS 79 - HA3 GLY 75 far 0 57 0 - 7.4-8.7 HA ALA 52 - HA2 GLY 114 far 0 99 0 - 8.0-16.8 HA ILE 80 - HA3 GLY 75 far 0 73 0 - 9.6-10.5 HA ILE 32 - HA3 GLY 75 far 0 60 0 - 9.8-15.1 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 2 assignments used, quality = 1.00: * HA2 GLY 114 + HA3 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HA3 GLY 114 far 0 68 0 - 5.2-9.4 Violated in 0 structures by 0.00 A. Peak 3632 from aliabs.peaks (4.12, 4.12, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + HA3 GLY 114 OK 100 100 - 100 Peak 3635 from aliabs.peaks (4.40, 4.40, 61.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 115 + HA THR 115 OK 100 100 - 100 Peak 3636 from aliabs.peaks (4.27, 4.40, 61.45 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 115 + HA THR 115 OK 100 100 100 100 2.4-2.6 3.0=96, 2.1/3645=65...(13) HA ALA 109 - HA THR 115 far 0 100 0 - 7.5-15.3 Violated in 0 structures by 0.00 A. Peak 3637 from aliabs.peaks (1.13, 4.40, 61.45 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HA THR 115 OK 100 100 100 100 3.2-3.2 3645=100, 2.1/3636=62...(15) Violated in 20 structures by 0.31 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 2.4-2.6 3.0=100 HA VAL 112 - HB THR 115 far 0 83 0 - 4.9-6.8 HA SER 107 - HB THR 115 far 0 97 0 - 7.4-16.6 Violated in 0 structures by 0.00 A. Peak 3641 from aliabs.peaks (4.27, 4.27, 69.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 115 + HB THR 115 OK 100 100 - 100 Peak 3642 from aliabs.peaks (1.13, 4.27, 69.62 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HB THR 115 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3645 from aliabs.peaks (4.40, 1.13, 21.32 ppm; 2.83 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 100 100 3.2-3.2 3637=95, 3636/2.1=60...(16) HA VAL 112 - QG2 THR 115 far 0 83 0 - 3.9-4.7 HA SER 107 - QG2 THR 115 far 0 97 0 - 4.1-12.4 HA ASN 120 - QG2 THR 115 far 0 73 0 - 8.8-10.5 HA THR 54 - QG2 THR 115 far 0 71 0 - 9.3-12.8 Violated in 20 structures by 0.36 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 5 100 5 - 3.5-10.3 HA ALA 108 - QG2 THR 115 far 0 100 0 - 6.2-10.0 HA ALA 110 - QG2 THR 115 far 0 96 0 - 6.4-9.1 Violated in 0 structures by 0.00 A. Peak 3647 from aliabs.peaks (1.13, 1.13, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + QG2 THR 115 OK 100 100 - 100 Peak 3650 from aliabs.peaks (4.97, 4.97, 51.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HA ASN 116 OK 100 100 - 100 Peak 3651 from aliabs.peaks (2.85, 4.97, 51.55 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HA ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 59 - HA ASN 116 far 0 73 0 - 7.3-11.0 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 2.4-3.0 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 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3657 from aliabs.peaks (2.85, 2.85, 38.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 116 + HB2 ASN 116 OK 100 100 - 100 Peak 3658 from aliabs.peaks (2.93, 2.85, 38.65 ppm; 3.34 A): 1 out of 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 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3663 from aliabs.peaks (2.85, 2.93, 38.65 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HB3 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 59 - HB3 ASN 116 far 0 73 0 - 5.8-9.6 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 2.3-2.9 3668=97, 3670/1.8=70...(22) 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 2.3-2.9 3667=100, 1.8/3670=77...(23) HA2 GLY 114 - HA ASN 116 far 0 68 0 - 6.1-7.8 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 2.0-2.4 3670=100, 3667/1.8=74...(23) HA ASN 116 - HD3 PRO 113 far 0 73 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 3670 from aliabs.peaks (3.95, 4.97, 51.55 ppm; 3.64 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 117 + HA ASN 116 OK 100 100 100 100 2.0-2.4 3669=100, 1.8/3667=79...(23) HA3 GLY 111 - HA ASN 116 far 5 99 5 - 3.5-13.0 HA2 GLY 111 - HA ASN 116 far 4 81 5 - 4.3-13.6 HB3 SER 106 - HA ASN 116 far 0 65 0 - 5.7-11.8 HB2 SER 106 - HA ASN 116 far 0 93 0 - 6.0-12.8 HB3 SER 107 - HA ASN 116 far 0 99 0 - 6.6-14.9 HD3 PRO 113 - HA ASN 116 far 0 90 0 - 7.4-11.5 HA LEU 100 - HA ASN 116 far 0 96 0 - 9.2-11.7 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 - 6.3-9.9 HA SER 107 - HD2 PRO 117 far 0 71 0 - 6.8-14.8 HA PRO 113 - HD2 PRO 117 far 0 100 0 - 6.8-11.7 HA ASP 78 - HD2 PRO 81 far 0 78 0 - 8.3-8.8 HA CYS 73 - HD2 PRO 81 far 0 90 0 - 8.7-11.3 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 HB3 GLN 134 - HD2 PRO 81 far 0 56 0 - 7.7-11.8 HB VAL 77 - HD2 PRO 81 far 0 82 0 - 8.3-9.9 HG2 GLU 102 - HD2 PRO 117 far 0 57 0 - 8.4-12.8 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 2.3-3.0 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 35 35 100 100 3.0-3.9 3.0=100 HG3 ARG 135 - HD2 PRO 81 far 0 64 0 - 7.0-10.4 HB2 GLN 134 - HD2 PRO 81 far 0 89 0 - 8.7-12.1 HG2 ARG 90 - HD2 PRO 81 far 0 86 0 - 9.3-11.5 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 2.3-3.0 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 67 67 100 100 3.0-3.9 3.0=100 HB3 LYS 39 - HD2 PRO 81 far 0 61 0 - 5.2-9.0 HB VAL 118 - HD2 PRO 117 far 0 93 0 - 6.0-6.6 HG3 ARG 135 - HD2 PRO 81 far 0 80 0 - 7.0-10.4 HB2 GLU 102 - HD2 PRO 117 far 0 57 0 - 7.8-12.1 HG3 GLN 134 - HD2 PRO 81 far 0 66 0 - 7.8-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 7.9-12.6 HG2 ARG 90 - HD2 PRO 81 far 0 56 0 - 9.3-11.5 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 2.3-3.0 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 67 67 100 100 3.0-3.9 3.0=100 HB3 LYS 39 - HD2 PRO 81 far 0 61 0 - 5.2-9.0 HB VAL 118 - HD2 PRO 117 far 0 93 0 - 6.0-6.6 HG3 ARG 135 - HD2 PRO 81 far 0 80 0 - 7.0-10.4 HB2 GLU 102 - HD2 PRO 117 far 0 57 0 - 7.8-12.1 HG3 GLN 134 - HD2 PRO 81 far 0 66 0 - 7.8-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 7.9-12.6 HG2 ARG 90 - HD2 PRO 81 far 0 56 0 - 9.3-11.5 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 7 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 111 - HD2 PRO 117 far 0 99 0 - 5.0-15.2 HA2 GLY 111 - HD2 PRO 117 far 0 81 0 - 5.4-15.8 HB2 SER 106 - HD2 PRO 117 far 0 93 0 - 7.1-13.2 HB3 SER 106 - HD2 PRO 117 far 0 65 0 - 7.4-12.3 HB3 SER 107 - HD2 PRO 117 far 0 99 0 - 8.0-16.5 HD3 PRO 113 - HD2 PRO 117 far 0 90 0 - 9.1-13.6 Violated in 0 structures by 0.00 A. Peak 3679 from aliabs.peaks (4.36, 3.95, 50.85 ppm; 5.19 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 100 100 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 far 4 71 5 - 5.5-13.4 HA PRO 113 - HD3 PRO 117 far 0 100 0 - 7.3-11.7 HA SER 107 - HD3 PRO 113 far 0 44 0 - 9.5-14.1 HA PRO 117 - HD3 PRO 113 far 0 73 0 - 9.8-13.8 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 3 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 - 6.8-11.3 HG3 GLU 55 - HD3 PRO 113 far 0 59 0 - 8.3-14.9 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 7 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 4.0-4.0 3.0=100 HG3 PRO 56 - HD3 PRO 113 far 4 72 5 - 5.4-11.3 HB3 PRO 56 - HD3 PRO 113 lone 0 71 50 1 4.2-9.2 HG2 PRO 56 - HD3 PRO 113 far 0 73 0 - 6.0-11.5 HB2 GLU 55 - HD3 PRO 113 far 0 60 0 - 7.5-13.7 HG2 PRO 58 - HD3 PRO 113 far 0 53 0 - 8.4-13.2 HB3 LEU 53 - HD3 PRO 113 far 0 64 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 3682 from aliabs.peaks (2.05, 3.95, 50.85 ppm; 3.84 A): 4 out of 11 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 OK 50 93 55 97 4.4-5.5 4.0/7638=36...(18) HB2 GLU 102 - HD3 PRO 117 far 0 57 0 - 6.0-10.6 HG3 PRO 58 - HD3 PRO 113 far 0 66 0 - 7.7-13.1 HG2 PRO 58 - HD3 PRO 113 far 0 44 0 - 8.4-13.2 HB3 GLU 55 - HD3 PRO 113 far 0 68 0 - 8.4-14.7 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 8.4-13.1 HB VAL 118 - HD3 PRO 113 far 0 63 0 - 8.5-13.7 HB2 LEU 62 - HD3 PRO 113 far 0 71 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 3683 from aliabs.peaks (2.05, 3.95, 50.85 ppm; 3.84 A): 4 out of 11 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 OK 50 93 55 97 4.4-5.5 4.0/7638=36...(18) HB2 GLU 102 - HD3 PRO 117 far 0 57 0 - 6.0-10.6 HG3 PRO 58 - HD3 PRO 113 far 0 66 0 - 7.7-13.1 HG2 PRO 58 - HD3 PRO 113 far 0 44 0 - 8.4-13.2 HB3 GLU 55 - HD3 PRO 113 far 0 68 0 - 8.4-14.7 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 8.4-13.1 HB VAL 118 - HD3 PRO 113 far 0 63 0 - 8.5-13.7 HB2 LEU 62 - HD3 PRO 113 far 0 71 0 - 9.2-13.3 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 4 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 117 far 0 68 0 - 6.7-9.8 HA2 GLY 114 - HD3 PRO 113 far 0 42 0 - 6.8-7.5 HD2 PRO 117 - HD3 PRO 113 far 0 73 0 - 9.1-13.6 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 3 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 4 42 10 - 3.3-5.3 HG2 GLU 102 - HA PRO 117 far 0 50 0 - 9.0-13.7 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 HB ILE 129 - HA CYS 73 far 0 55 0 - 6.3-7.6 HG2 ARG 90 - HA CYS 73 far 0 45 0 - 6.6-8.2 HB3 LEU 53 - HA PRO 117 far 0 86 0 - 8.2-11.9 Violated in 0 structures by 0.00 A. Peak 3690 from aliabs.peaks (2.05, 4.36, 64.64 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HA PRO 117 OK 94 95 100 99 3.9-3.9 3.8=98, 1.8/3711=26...(9) HG3 PRO 117 + HA PRO 117 OK 93 95 100 99 4.0-4.0 3.8=98, 1.8/3719=26...(6) HB VAL 118 - HA PRO 117 far 0 85 0 - 5.4-5.7 HG2 ARG 90 - HA CYS 73 far 0 27 0 - 6.6-8.2 HB3 LYS 39 - HA CYS 73 far 0 30 0 - 8.2-11.0 HB2 GLU 102 - HA PRO 117 far 0 50 0 - 8.3-11.9 HG3 PRO 113 - HA PRO 117 far 0 93 0 - 9.6-12.9 HB2 GLU 128 - HA CYS 73 far 0 27 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 3691 from aliabs.peaks (2.05, 4.36, 64.64 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: HG2 PRO 117 + HA PRO 117 OK 94 95 100 99 3.9-3.9 3.8=98, 1.8/3711=26...(9) * HG3 PRO 117 + HA PRO 117 OK 93 95 100 99 4.0-4.0 3.8=98, 1.8/3719=26...(6) HB VAL 118 - HA PRO 117 far 0 85 0 - 5.4-5.7 HG2 ARG 90 - HA CYS 73 far 0 27 0 - 6.6-8.2 HB3 LYS 39 - HA CYS 73 far 0 30 0 - 8.2-11.0 HB2 GLU 102 - HA PRO 117 far 0 50 0 - 8.3-11.9 HG3 PRO 113 - HA PRO 117 far 0 93 0 - 9.6-12.9 HB2 GLU 128 - HA CYS 73 far 0 27 0 - 9.8-12.8 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 4 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 far 0 33 0 - 5.2-5.8 HA2 GLY 114 - HA PRO 117 far 0 60 0 - 5.8-9.4 HD2 PRO 81 - HA CYS 73 far 0 55 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 3693 from aliabs.peaks (3.95, 4.36, 64.64 ppm; 4.67 A): 1 out of 7 assignments used, quality = 0.95: * HD3 PRO 117 + HA PRO 117 OK 95 95 100 100 4.1-4.1 3.6=100 HA3 GLY 111 - HA PRO 117 far 0 92 0 - 7.5-16.4 HB2 SER 106 - HA PRO 117 far 0 85 0 - 8.4-14.2 HA2 GLY 111 - HA PRO 117 far 0 72 0 - 8.5-16.5 HB3 SER 107 - HA PRO 117 far 0 92 0 - 9.2-17.7 HB3 SER 106 - HA PRO 117 far 0 57 0 - 9.5-13.5 HD3 PRO 113 - HA PRO 117 far 0 82 0 - 9.8-13.8 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 3 35 10 - 3.3-5.3 HA ASP 78 - HB VAL 77 far 0 28 0 - 5.5-5.6 HA PRO 113 - HB2 PRO 117 far 0 100 0 - 7.8-13.3 HA LEU 69 - HB VAL 77 far 0 32 0 - 9.3-12.0 HA SER 107 - HB2 PRO 117 far 0 71 0 - 9.3-16.7 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): 2 out of 5 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 OK 24 32 75 98 2.4-4.2 9662/2.1=47, 9652/2.1=35...(25) HB2 GLU 91 - HB VAL 77 far 0 36 0 - 8.3-10.3 HB ILE 129 - HB VAL 77 far 0 40 0 - 8.4-10.0 HB3 GLU 91 - HB VAL 77 far 0 22 0 - 8.9-11.6 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 - 6.7-7.1 HB3 GLU 91 - HB VAL 77 far 0 29 0 - 8.9-11.6 HB2 GLU 102 - HB2 PRO 117 far 0 57 0 - 8.9-12.1 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 - 6.7-7.1 HB3 GLU 91 - HB VAL 77 far 0 29 0 - 8.9-11.6 HB2 GLU 102 - HB2 PRO 117 far 0 57 0 - 8.9-12.1 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 HA2 GLY 114 - HB2 PRO 117 far 0 68 0 - 5.6-10.9 HA LEU 70 - HB VAL 77 far 0 23 0 - 7.1-9.4 HD2 PRO 81 - HB VAL 77 far 0 40 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 3701 from aliabs.peaks (3.95, 2.36, 31.74 ppm; 4.28 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HA3 GLY 111 - HB2 PRO 117 far 0 99 0 - 7.6-17.7 HA2 GLY 111 - HB2 PRO 117 far 0 81 0 - 8.3-18.0 HA GLU 91 - HB VAL 77 far 0 27 0 - 8.5-10.0 HB2 SER 106 - HB2 PRO 117 far 0 93 0 - 8.8-14.0 HB3 SER 94 - HB VAL 77 far 0 28 0 - 8.9-11.2 HB3 SER 106 - HB2 PRO 117 far 0 65 0 - 9.4-14.0 HB3 SER 107 - HB2 PRO 117 far 0 99 0 - 9.9-18.3 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 - 5.6-10.3 HA PRO 113 - HB3 PRO 117 far 0 100 0 - 8.8-14.0 HA SER 107 - HB3 PRO 117 far 0 71 0 - 9.3-16.2 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 4 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 - 5.8-7.1 HG2 GLU 102 - HB3 PRO 117 far 0 57 0 - 7.6-12.3 HG2 GLU 102 - HB VAL 63 far 0 22 0 - 9.7-13.4 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): 3 out of 9 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 OK 46 48 100 96 4.8-5.6 ~11012=66, 6806/4.0=61...(6) QE MET 11 - HB VAL 63 far 1 30 5 - 4.2-40.1 HB VAL 118 - HB3 PRO 117 far 0 93 0 - 5.7-6.4 HG2 PRO 58 - HB VAL 63 far 0 28 0 - 6.9-7.9 HB2 GLU 102 - HB3 PRO 117 far 0 57 0 - 7.5-10.5 HG3 PRO 58 - HB VAL 63 far 0 43 0 - 8.5-9.3 HB VAL 118 - HB VAL 63 far 0 41 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 3707 from aliabs.peaks (2.05, 2.01, 31.74 ppm; 4.74 A): 3 out of 9 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 OK 46 48 100 96 4.8-5.6 ~11012=66, 6806/4.0=61...(6) QE MET 11 - HB VAL 63 far 1 30 5 - 4.2-40.1 HB VAL 118 - HB3 PRO 117 far 0 93 0 - 5.7-6.4 HG2 PRO 58 - HB VAL 63 far 0 28 0 - 6.9-7.9 HB2 GLU 102 - HB3 PRO 117 far 0 57 0 - 7.5-10.5 HG3 PRO 58 - HB VAL 63 far 0 43 0 - 8.5-9.3 HB VAL 118 - HB VAL 63 far 0 41 0 - 9.0-11.1 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 - 5.6-6.0 HA2 GLY 114 - HB3 PRO 117 far 0 68 0 - 7.3-11.9 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 13 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 5 47 10 - 4.6-11.4 HA LEU 100 - HB VAL 63 far 0 43 0 - 6.3-7.6 HA THR 65 - HB VAL 63 far 0 37 0 - 7.3-7.5 HA3 GLY 111 - HB3 PRO 117 far 0 99 0 - 7.8-18.1 HB2 SER 106 - HB3 PRO 117 far 0 93 0 - 7.9-12.7 HB2 SER 106 - HB VAL 63 far 0 41 0 - 7.9-13.6 HB3 SER 106 - HB VAL 63 far 0 26 0 - 8.1-12.8 HA2 GLY 111 - HB VAL 63 far 0 33 0 - 8.3-14.8 HA3 GLY 111 - HB VAL 63 far 0 47 0 - 8.5-14.3 HA2 GLY 111 - HB3 PRO 117 far 0 81 0 - 8.6-18.2 HB3 SER 106 - HB3 PRO 117 far 0 65 0 - 8.8-13.6 HB3 SER 107 - HB3 PRO 117 far 0 99 0 - 9.4-17.6 Violated in 0 structures by 0.00 A. Peak 3711 from aliabs.peaks (4.36, 2.05, 27.30 ppm; 3.82 A): 3 out of 12 assignments used, quality = 1.00: * HA PRO 117 + HG2 PRO 117 OK 99 100 100 99 3.9-3.9 3.8=97, 3690/1.8=37...(8) HA PRO 117 + HG3 PRO 117 OK 99 100 100 99 4.0-4.0 3.8=97, 3691/1.8=37...(6) HA PRO 113 + HG3 PRO 113 OK 87 88 100 100 3.9-3.9 3.8=97, 7591/7595=51...(5) HA GLN 134 - HG3 PRO 81 far 14 96 15 - 4.2-10.9 HA GLN 134 - HG3 ARG 135 far 0 56 0 - 5.1-7.2 HA SER 107 - HG2 PRO 117 far 0 71 0 - 7.3-14.7 HA SER 107 - HG3 PRO 117 far 0 71 0 - 7.9-16.0 HA PRO 113 - HG3 PRO 117 far 0 100 0 - 8.8-13.8 HA PRO 113 - HG2 PRO 117 far 0 100 0 - 9.0-13.5 HA PRO 117 - HG3 PRO 113 far 0 88 0 - 9.6-12.9 HA SER 107 - HG3 PRO 113 far 0 56 0 - 9.6-15.5 HA ASP 78 - HG3 PRO 81 far 0 82 0 - 9.8-10.9 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 8 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 3 30 10 - 4.4-8.6 HB3 GLN 134 - HG3 PRO 81 far 0 60 0 - 5.8-12.9 HG2 GLU 102 - HG2 PRO 117 far 0 57 0 - 6.1-10.5 HG2 GLU 128 - HG3 ARG 135 far 0 48 0 - 6.4-11.0 HG2 GLU 102 - HG3 PRO 117 far 0 57 0 - 7.6-11.9 HG3 GLU 55 - HG3 PRO 113 far 0 72 0 - 9.3-14.6 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 HB3 PRO 56 - HG3 PRO 113 far 13 86 15 - 5.0-9.9 HB2 GLN 134 - HG3 ARG 135 far 5 52 10 - 5.5-8.0 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 6.2-10.3 HG2 PRO 81 - HG3 ARG 135 far 0 61 0 - 6.3-11.2 HG3 PRO 56 - HG3 PRO 113 far 0 87 0 - 6.3-10.3 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 6.8-13.0 HG2 PRO 56 - HG3 PRO 113 far 0 88 0 - 7.1-11.6 HB ILE 129 - HG3 ARG 135 far 0 61 0 - 9.0-12.0 HB2 GLU 55 - HG3 PRO 113 far 0 74 0 - 9.3-13.7 HB2 GLU 91 - HG3 ARG 135 far 0 55 0 - 9.7-12.7 HB3 GLU 40 - HG3 PRO 81 far 0 91 0 - 9.8-17.7 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 2.3-3.0 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 3 53 5 - 4.7-6.4 HA2 GLY 114 - HG3 PRO 117 far 0 68 0 - 6.5-11.6 HD2 PRO 81 - HG3 ARG 135 far 0 61 0 - 7.0-10.4 HA2 GLY 114 - HG2 PRO 117 far 0 68 0 - 7.6-11.6 HD2 PRO 117 - HG3 PRO 113 far 0 88 0 - 7.9-12.6 HA GLU 40 - HG3 PRO 81 far 0 68 0 - 8.8-16.0 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 18 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 HA3 GLY 111 - HG2 PRO 117 far 0 99 0 - 5.7-16.8 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 5.8-11.0 HA3 GLY 111 - HG3 PRO 117 far 0 99 0 - 6.2-17.3 HA2 GLY 111 - HG2 PRO 117 far 0 81 0 - 6.6-17.0 HA2 GLY 111 - HG3 PRO 117 far 0 81 0 - 6.6-17.8 HB3 SER 106 - HG2 PRO 117 far 0 65 0 - 6.8-11.6 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 7.0-12.4 HB3 SER 106 - HG3 PRO 117 far 0 65 0 - 7.3-12.6 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 7.6-16.0 HA2 GLY 111 - HG3 PRO 113 far 0 64 0 - 8.2-9.1 HA3 GLY 111 - HG3 PRO 113 far 0 85 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 88 0 - 8.4-13.1 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 8.8-17.4 HA LEU 100 - HG2 PRO 117 far 0 96 0 - 9.1-10.6 HA GLN 127 - HG3 ARG 135 far 0 50 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 3719 from aliabs.peaks (4.36, 2.05, 27.30 ppm; 3.82 A): 3 out of 12 assignments used, quality = 1.00: HA PRO 117 + HG2 PRO 117 OK 99 100 100 99 3.9-3.9 3.8=97, 3690/1.8=37...(8) * HA PRO 117 + HG3 PRO 117 OK 99 100 100 99 4.0-4.0 3.8=97, 3691/1.8=37...(6) HA PRO 113 + HG3 PRO 113 OK 87 88 100 100 3.9-3.9 3.8=97, 7591/7595=51...(5) HA GLN 134 - HG3 PRO 81 far 14 96 15 - 4.2-10.9 HA GLN 134 - HG3 ARG 135 far 0 56 0 - 5.1-7.2 HA SER 107 - HG2 PRO 117 far 0 71 0 - 7.3-14.7 HA SER 107 - HG3 PRO 117 far 0 71 0 - 7.9-16.0 HA PRO 113 - HG3 PRO 117 far 0 100 0 - 8.8-13.8 HA PRO 113 - HG2 PRO 117 far 0 100 0 - 9.0-13.5 HA PRO 117 - HG3 PRO 113 far 0 88 0 - 9.6-12.9 HA SER 107 - HG3 PRO 113 far 0 56 0 - 9.6-15.5 HA ASP 78 - HG3 PRO 81 far 0 82 0 - 9.8-10.9 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 8 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 3 30 10 - 4.4-8.6 HB3 GLN 134 - HG3 PRO 81 far 0 60 0 - 5.8-12.9 HG2 GLU 102 - HG2 PRO 117 far 0 57 0 - 6.1-10.5 HG2 GLU 128 - HG3 ARG 135 far 0 48 0 - 6.4-11.0 HG2 GLU 102 - HG3 PRO 117 far 0 57 0 - 7.6-11.9 HG3 GLU 55 - HG3 PRO 113 far 0 72 0 - 9.3-14.6 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 HB3 PRO 56 - HG3 PRO 113 far 13 86 15 - 5.0-9.9 HB2 GLN 134 - HG3 ARG 135 far 5 52 10 - 5.5-8.0 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 6.2-10.3 HG2 PRO 81 - HG3 ARG 135 far 0 61 0 - 6.3-11.2 HG3 PRO 56 - HG3 PRO 113 far 0 87 0 - 6.3-10.3 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 6.8-13.0 HG2 PRO 56 - HG3 PRO 113 far 0 88 0 - 7.1-11.6 HB ILE 129 - HG3 ARG 135 far 0 61 0 - 9.0-12.0 HB2 GLU 55 - HG3 PRO 113 far 0 74 0 - 9.3-13.7 HB2 GLU 91 - HG3 ARG 135 far 0 55 0 - 9.7-12.7 HB3 GLU 40 - HG3 PRO 81 far 0 91 0 - 9.8-17.7 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 2.3-3.0 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 3 53 5 - 4.7-6.4 HA2 GLY 114 - HG3 PRO 117 far 0 68 0 - 6.5-11.6 HD2 PRO 81 - HG3 ARG 135 far 0 61 0 - 7.0-10.4 HA2 GLY 114 - HG2 PRO 117 far 0 68 0 - 7.6-11.6 HD2 PRO 117 - HG3 PRO 113 far 0 88 0 - 7.9-12.6 HA GLU 40 - HG3 PRO 81 far 0 68 0 - 8.8-16.0 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 18 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 HA3 GLY 111 - HG2 PRO 117 far 0 99 0 - 5.7-16.8 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 5.8-11.0 HA3 GLY 111 - HG3 PRO 117 far 0 99 0 - 6.2-17.3 HA2 GLY 111 - HG2 PRO 117 far 0 81 0 - 6.6-17.0 HA2 GLY 111 - HG3 PRO 117 far 0 81 0 - 6.6-17.8 HB3 SER 106 - HG2 PRO 117 far 0 65 0 - 6.8-11.6 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 7.0-12.4 HB3 SER 106 - HG3 PRO 117 far 0 65 0 - 7.3-12.6 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 7.6-16.0 HA2 GLY 111 - HG3 PRO 113 far 0 64 0 - 8.2-9.1 HA3 GLY 111 - HG3 PRO 113 far 0 85 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 88 0 - 8.4-13.1 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 8.8-17.4 HA LEU 100 - HG2 PRO 117 far 0 96 0 - 9.1-10.6 HA GLN 127 - HG3 ARG 135 far 0 50 0 - 9.6-14.0 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 81 93 90 96 4.3-4.6 ~11590=25, ~7638=25...(25) HB2 GLU 102 - HA VAL 118 far 0 90 0 - 4.8-7.7 HG3 PRO 117 - HA VAL 118 far 0 93 0 - 5.9-6.2 HB2 LEU 62 - HA VAL 118 far 0 99 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 3730 from aliabs.peaks (0.89, 3.81, 64.89 ppm; 3.32 A): 1 out of 7 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 LEU 62 - HA VAL 118 far 0 83 0 - 5.5-7.4 QD2 LEU 98 - HA VAL 118 far 0 97 0 - 6.9-9.4 QG2 VAL 63 - HA VAL 118 far 0 89 0 - 7.6-8.8 QD2 LEU 123 - HA VAL 118 far 0 97 0 - 7.6-8.9 QD1 LEU 49 - HA VAL 118 far 0 85 0 - 8.7-11.6 QD2 LEU 69 - HA VAL 118 far 0 65 0 - 9.8-12.5 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 2.3-2.4 3749=100, 7642/2.8=50...(18) QG2 VAL 105 - HA VAL 118 far 0 100 0 - 7.7-9.4 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 = 0.95: * HB2 ASN 121 + HA VAL 118 OK 95 100 95 100 2.0-4.8 3839=92, 1.8/3735=75...(32) HB2 ASN 120 - HA VAL 118 far 5 100 5 - 4.4-6.7 HB3 ASN 120 - HA VAL 118 far 0 100 0 - 5.1-7.0 Violated in 4 structures by 0.05 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 1.9-3.2 3847=89, 1.8/3734=74...(30) 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 - 8.0-10.2 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 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 83 0 - 4.0-6.2 QG2 VAL 63 - HB VAL 118 far 0 89 0 - 5.7-7.2 QD2 LEU 123 - HB VAL 118 far 0 97 0 - 8.0-9.8 QD1 LEU 49 - HB VAL 118 far 0 85 0 - 8.5-11.4 QD2 LEU 98 - HB VAL 118 far 0 97 0 - 8.9-10.8 QD2 LEU 69 - HB VAL 118 far 0 65 0 - 9.8-12.8 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 - 6.2-9.0 Violated in 0 structures by 0.00 A. Peak 3743 from aliabs.peaks (3.81, 0.89, 21.66 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 HA LEU 62 - QG1 VAL 118 far 0 57 0 - 5.7-8.1 HB2 SER 50 - QG1 VAL 118 far 0 85 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3744 from aliabs.peaks (2.06, 0.89, 21.66 ppm; 2.92 A): 2 out of 7 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 OK 31 90 35 97 2.8-5.8 1.8/11606=39...(21) HB2 LEU 62 - QG1 VAL 118 far 0 99 0 - 4.2-6.5 HG2 PRO 117 - QG1 VAL 118 far 0 93 0 - 5.3-5.8 HG3 PRO 117 - QG1 VAL 118 far 0 93 0 - 6.7-7.2 HB VAL 57 - QG1 VAL 118 far 0 73 0 - 8.9-11.1 HG3 PRO 113 - QG1 VAL 118 far 0 99 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3745 from aliabs.peaks (0.89, 0.89, 21.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 118 + QG1 VAL 118 OK 100 100 - 100 Peak 3746 from aliabs.peaks (1.00, 0.89, 21.66 ppm; 2.63 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + QG1 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 105 - QG1 VAL 118 far 0 100 0 - 4.7-6.3 QD1 LEU 69 - QG1 VAL 118 far 0 100 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 3749 from aliabs.peaks (3.81, 1.00, 22.19 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.99: * HA VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.3-2.4 3731=88, 2.8/7642=46...(17) HA LEU 62 - QG2 VAL 118 far 0 57 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 3750 from aliabs.peaks (2.06, 1.00, 22.19 ppm; 2.66 A): 3 out of 6 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 64 93 100 69 2.7-3.5 2.3/11590=28...(15) HB2 GLU 102 + QG2 VAL 118 OK 42 90 50 93 1.9-5.1 1.8/11545=34...(16) HG3 PRO 117 - QG2 VAL 118 far 0 93 0 - 4.3-4.9 HB2 LEU 62 - QG2 VAL 118 far 0 99 0 - 6.4-8.5 HG3 PRO 113 - QG2 VAL 118 far 0 99 0 - 9.7-13.2 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 7 assignments used, quality = 1.00: * QG1 VAL 118 + QG2 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QG2 VAL 118 far 0 83 0 - 4.9-6.9 QG2 VAL 63 - QG2 VAL 118 far 0 89 0 - 5.4-6.7 QD2 LEU 98 - QG2 VAL 118 far 0 97 0 - 5.9-8.0 QD2 LEU 123 - QG2 VAL 118 far 0 97 0 - 8.1-9.1 QD1 LEU 49 - QG2 VAL 118 far 0 85 0 - 8.3-10.5 QD2 LEU 69 - QG2 VAL 118 far 0 65 0 - 8.6-11.4 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 2.3-2.6 2.9=100 HB2 LEU 53 + HA LEU 119 OK 47 73 65 98 3.6-7.8 3.1/11845=78...(24) HG LEU 103 - HA LEU 119 far 14 93 15 - 4.1-7.8 HG LEU 123 - HA LEU 119 far 0 81 0 - 6.0-7.8 HG LEU 49 - HA LEU 119 far 0 65 0 - 6.8-9.9 Violated in 0 structures by 0.00 A. Peak 3757 from aliabs.peaks (1.87, 4.03, 57.80 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 LEU 123 + HA LEU 119 OK 37 99 70 53 4.1-6.0 3927/4.9=34, 3.9/7737=11...(7) Violated in 0 structures by 0.00 A. Peak 3758 from aliabs.peaks (1.62, 4.03, 57.80 ppm; 4.64 A): 5 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 100 100 2.3-4.3 3.7=100 HG LEU 122 + HA LEU 119 OK 75 89 85 99 2.7-6.5 3.0/3764=72...(22) HB2 LEU 122 + HA LEU 119 OK 66 95 70 99 3.5-6.2 1.8/3764=88, 3.5/3762=52...(21) HG LEU 62 + HA LEU 119 OK 37 76 50 98 4.8-6.3 2.1/10954=77...(11) HB2 LEU 123 + HA LEU 119 OK 26 65 55 73 4.6-6.7 11566/4.9=33...(10) Violated in 0 structures by 0.00 A. Peak 3759 from aliabs.peaks (0.79, 4.03, 57.80 ppm; 3.27 A): 5 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.1-3.5 3790=100, 2.1/3798=55...(19) QD1 LEU 122 + HA LEU 119 OK 66 89 85 87 2.2-6.0 3.1/3764=35, 11702=31...(22) QD1 LEU 103 + HA LEU 119 OK 36 99 60 61 1.9-6.1 3397=20, 11426/2.8=19...(10) QD2 LEU 122 + HA LEU 119 OK 30 100 35 84 2.4-5.9 3.1/3764=35...(20) QD1 LEU 53 + HA LEU 119 OK 22 100 25 88 3.5-7.4 2.1/11845=58...(21) QD2 LEU 49 - HA LEU 119 far 0 99 0 - 5.0-7.7 QD1 LEU 96 - HA LEU 119 far 0 90 0 - 6.6-8.1 QG1 VAL 63 - HA LEU 119 far 0 99 0 - 7.6-9.4 QD1 LEU 70 - HA LEU 119 far 0 76 0 - 9.6-13.4 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 12 assignments used, quality = 1.00: * QD1 LEU 119 + HA LEU 119 OK 100 100 100 100 3.2-3.9 3798=100, 2.1/3790=83...(12) QD1 LEU 62 + HA LEU 119 OK 60 71 100 85 2.0-4.1 10954=34, 3795/3790=21...(12) QD2 LEU 53 + HA LEU 119 OK 48 63 85 90 1.9-7.5 11845=49, 3771/2.9=15...(21) QD1 LEU 49 - HA LEU 119 far 0 68 0 - 5.4-8.7 QG2 VAL 63 - HA LEU 119 far 0 63 0 - 5.7-7.5 QG2 VAL 126 - HA LEU 119 far 0 73 0 - 6.0-7.6 QD1 LEU 123 - HA LEU 119 far 0 95 0 - 6.1-7.4 QG1 VAL 126 - HA LEU 119 far 0 87 0 - 7.8-9.1 QG1 VAL 57 - HA LEU 119 far 0 100 0 - 8.1-9.8 QG2 VAL 112 - HA LEU 119 far 0 92 0 - 8.6-11.5 QD1 LEU 48 - HA LEU 119 far 0 60 0 - 9.5-12.5 QG1 VAL 112 - HA LEU 119 far 0 65 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 3763 from aliabs.peaks (1.61, 4.03, 57.80 ppm; 4.69 A): 3 out of 3 assignments used, quality = 1.00: HG LEU 119 + HA LEU 119 OK 95 95 100 100 2.3-4.3 3.7=100 HG LEU 122 + HA LEU 119 OK 84 100 85 99 2.7-6.5 3.0/3764=73...(22) * HB2 LEU 122 + HA LEU 119 OK 75 100 75 99 3.5-6.2 1.8/3764=89, 3.5/3762=53...(21) Violated in 0 structures by 0.00 A. Peak 3764 from aliabs.peaks (1.79, 4.03, 57.80 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.50: * HB3 LEU 122 + HA LEU 119 OK 50 100 55 91 3.0-5.7 3.5/3762=42...(22) HG LEU 100 - HA LEU 119 far 0 89 0 - 5.2-9.2 HB3 LEU 103 - HA LEU 119 far 0 100 0 - 5.3-8.2 Violated in 11 structures by 0.55 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 2.3-2.6 2.9=100 HA LEU 103 - HB2 LEU 119 far 0 97 0 - 7.1-10.6 HA SER 50 - HB2 LEU 119 far 0 60 0 - 7.3-9.3 HB3 SER 99 - HB2 LEU 119 far 0 63 0 - 7.5-10.1 HA LEU 122 - HB2 LEU 119 far 0 93 0 - 7.9-8.7 HB3 SER 124 - HB2 LEU 119 far 0 95 0 - 9.0-10.9 HA SER 60 - HB2 LEU 119 far 0 90 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 3767 from aliabs.peaks (1.54, 1.54, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 119 + HB2 LEU 119 OK 100 100 - 100 Peak 3768 from aliabs.peaks (1.87, 1.54, 40.68 ppm; 4.06 A): 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 poor 7 99 30 25 4.8-6.4 3757/2.9=16, 3932=3...(4) Violated in 0 structures by 0.00 A. Peak 3769 from aliabs.peaks (1.62, 1.54, 40.68 ppm; 4.74 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.6-3.0 2.9=100 HG LEU 62 + HB2 LEU 119 OK 72 76 95 100 3.9-6.4 10992/3.1=55...(33) HG LEU 122 + HB2 LEU 119 OK 35 89 40 99 4.8-8.6 ~3764=39, ~3764=35...(37) HB2 LEU 123 - HB2 LEU 119 poor 13 65 20 - 5.3-7.6 HB2 LEU 122 - HB2 LEU 119 far 5 95 5 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 3770 from aliabs.peaks (0.79, 1.54, 40.68 ppm; 3.93 A): 5 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 122 + HB2 LEU 119 OK 46 89 55 94 3.8-8.1 11702/2.9=32, ~3764=24...(39) QD1 LEU 53 + HB2 LEU 119 OK 41 100 45 92 3.3-7.0 ~11845=37, ~11725=20...(25) QD1 LEU 103 + HB2 LEU 119 OK 41 99 55 76 3.1-7.2 11426/3.9=28...(19) QD2 LEU 122 + HB2 LEU 119 OK 24 100 25 94 4.3-7.6 ~3764=24, ~11702=22...(36) QD2 LEU 49 - HB2 LEU 119 far 0 99 0 - 5.6-8.6 QD1 LEU 96 - HB2 LEU 119 far 0 90 0 - 8.1-10.1 QG1 VAL 63 - HB2 LEU 119 far 0 99 0 - 8.8-11.4 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 12 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.1-3.1 3.0=100 QD1 LEU 62 + HB2 LEU 119 OK 69 71 100 97 1.9-3.6 3.2/10951=35, ~10992=34...(28) QD2 LEU 53 + HB2 LEU 119 OK 51 63 90 90 1.9-6.6 11845/2.9=32...(24) QD1 LEU 49 - HB2 LEU 119 far 0 68 0 - 5.9-10.3 QD1 LEU 123 - HB2 LEU 119 far 0 95 0 - 6.4-7.8 QG2 VAL 63 - HB2 LEU 119 far 0 63 0 - 6.5-9.2 QG1 VAL 57 - HB2 LEU 119 far 0 100 0 - 6.7-8.6 QG2 VAL 126 - HB2 LEU 119 far 0 73 0 - 7.5-9.3 QG2 VAL 112 - HB2 LEU 119 far 0 92 0 - 8.2-10.7 QG1 VAL 112 - HB2 LEU 119 far 0 65 0 - 8.4-10.2 QG1 VAL 126 - HB2 LEU 119 far 0 87 0 - 8.8-10.5 QD1 LEU 48 - HB2 LEU 119 far 0 60 0 - 9.3-13.5 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 2.6-3.0 2.9=100 HA SER 50 - HB3 LEU 119 far 0 60 0 - 7.1-9.9 HA LEU 103 - HB3 LEU 119 far 0 97 0 - 7.3-10.6 HB3 SER 99 - HB3 LEU 119 far 0 63 0 - 7.5-9.9 HA LEU 122 - HB3 LEU 119 far 0 93 0 - 7.8-8.9 HB3 SER 124 - HB3 LEU 119 far 0 95 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 3775 from aliabs.peaks (1.54, 1.87, 40.68 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 53 + HB3 LEU 119 OK 24 73 35 93 2.2-6.3 ~11845=23, ~11621=21...(34) HG LEU 123 - HB3 LEU 119 far 0 81 0 - 6.1-8.2 HG LEU 103 - HB3 LEU 119 far 0 93 0 - 6.3-9.5 HG LEU 49 - HB3 LEU 119 far 0 65 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 3776 from aliabs.peaks (1.87, 1.87, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 119 + HB3 LEU 119 OK 100 100 - 100 Peak 3777 from aliabs.peaks (1.62, 1.87, 40.68 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 LEU 123 - HB3 LEU 119 far 0 65 0 - 5.0-7.7 HG LEU 122 - HB3 LEU 119 far 0 89 0 - 5.2-9.2 HG LEU 62 - HB3 LEU 119 far 0 76 0 - 5.2-7.2 HB2 LEU 122 - HB3 LEU 119 far 0 95 0 - 6.2-8.9 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 2.5-3.2 3.1=100 QD1 LEU 103 - HB3 LEU 119 poor 20 99 20 - 3.7-8.0 QD1 LEU 53 - HB3 LEU 119 far 15 100 15 - 4.1-7.2 QD1 LEU 122 - HB3 LEU 119 far 4 89 5 - 4.4-8.4 QD2 LEU 122 - HB3 LEU 119 far 0 100 0 - 4.9-8.2 QD2 LEU 49 - HB3 LEU 119 far 0 99 0 - 6.6-9.6 QD1 LEU 96 - HB3 LEU 119 far 0 90 0 - 8.7-10.5 QG1 VAL 63 - HB3 LEU 119 far 0 99 0 - 9.8-11.5 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 11 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.9-3.1 3.0=100 QD1 LEU 62 + HB3 LEU 119 OK 69 71 100 97 3.1-4.3 ~10992=36, ~10951=30...(29) QD2 LEU 53 + HB3 LEU 119 OK 50 63 90 89 2.0-6.4 11845/2.9=33...(23) QD1 LEU 123 - HB3 LEU 119 far 0 95 0 - 6.2-8.5 QD1 LEU 49 - HB3 LEU 119 far 0 68 0 - 7.0-11.1 QG1 VAL 57 - HB3 LEU 119 far 0 100 0 - 7.0-9.6 QG2 VAL 126 - HB3 LEU 119 far 0 73 0 - 7.4-9.8 QG2 VAL 63 - HB3 LEU 119 far 0 63 0 - 7.6-9.3 QG2 VAL 112 - HB3 LEU 119 far 0 92 0 - 7.8-10.9 QG1 VAL 112 - HB3 LEU 119 far 0 65 0 - 7.9-9.7 QG1 VAL 126 - HB3 LEU 119 far 0 87 0 - 8.9-11.3 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 31 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 100 100 2.3-4.3 3.7=100 HA LEU 122 + HG LEU 122 OK 60 60 100 100 2.1-4.3 4.3=94, 3893/2.1=48...(21) HA LEU 119 + HG LEU 122 OK 44 70 65 97 2.7-6.5 3764/3.0=60...(20) HB3 SER 99 + HG LEU 122 OK 32 36 90 97 2.3-5.4 ~11479=35, 1.8/11374=29...(23) HA GLN 68 - HG LEU 70 poor 12 64 40 47 4.5-8.2 6938/6949=30...(4) HA LEU 96 - HG LEU 122 poor 7 36 20 - 3.1-5.9 HA LEU 103 - HG LEU 119 far 5 97 5 - 4.8-10.0 HB2 SER 74 - HG LEU 70 far 2 48 5 - 4.9-7.6 HA LEU 103 - HG LEU 122 far 0 63 0 - 6.7-9.3 HB3 SER 99 - HG LEU 119 far 0 63 0 - 6.7-9.6 HD3 PRO 81 - HG2 ARG 84 far 0 58 0 - 7.0-13.0 HB3 SER 124 - HG LEU 122 far 0 61 0 - 7.0-10.0 HA LEU 96 - HG LEU 70 far 0 52 0 - 7.2-8.7 HA SER 50 - HG LEU 122 far 0 35 0 - 7.3-10.6 HA LYS 95 - HG LEU 122 far 0 69 0 - 7.4-10.1 HA ARG 135 - HG3 ARG 84 far 0 51 0 - 7.4-11.3 HD3 PRO 81 - HG3 ARG 84 far 0 48 0 - 7.8-12.8 HA ARG 135 - HG2 ARG 84 far 0 61 0 - 8.1-12.5 HA LEU 122 - HG LEU 70 far 0 82 0 - 8.3-10.5 HB3 SER 99 - HG LEU 70 far 0 52 0 - 8.4-11.5 HA LEU 122 - HG LEU 119 far 0 93 0 - 8.5-10.3 HA LYS 95 - HG LEU 70 far 0 92 0 - 8.8-10.9 HA SER 60 - HG LEU 119 far 0 90 0 - 8.9-11.8 HA GLU 102 - HG LEU 122 far 0 45 0 - 8.9-10.8 HA SER 50 - HG LEU 119 far 0 60 0 - 9.1-11.8 HA ALA 92 - HG LEU 122 far 0 35 0 - 9.1-12.2 HA GLU 102 - HG LEU 119 far 0 76 0 - 9.2-13.9 HA SER 60 - HG LEU 22 far 0 82 0 - 9.2-44.5 HA GLN 68 - HG3 ARG 23 far 0 75 0 - 9.7-32.3 HA GLU 102 - HG LEU 70 far 0 64 0 - 9.8-13.6 HA SER 60 - HG LEU 122 far 0 57 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3783 from aliabs.peaks (1.54, 1.62, 27.00 ppm; 4.74 A): 5 out of 17 assignments used, quality = 1.00: * HB2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 LEU 22 + HG LEU 22 OK 95 95 100 100 2.3-3.0 3.0=100 HG2 ARG 23 + HG3 ARG 23 OK 86 86 100 100 1.8-1.8 1.8=100 HB2 LEU 119 + HG LEU 122 OK 28 70 40 99 4.8-8.6 ~3764=39, ~3764=35...(36) HG LEU 103 + HG LEU 119 OK 21 93 35 63 3.9-9.8 3791/2.1=22, ~3409=12...(12) HB2 LEU 53 - HG LEU 119 far 11 73 15 - 4.6-8.6 HG LEU 103 - HG LEU 122 far 6 60 10 - 4.2-9.3 HB2 LEU 53 - HG LEU 122 far 0 44 0 - 5.9-11.7 HG LEU 49 - HG LEU 122 far 0 38 0 - 6.1-9.1 HB2 LEU 22 - HG3 ARG 23 far 0 100 0 - 6.1-7.8 HG2 ARG 23 - HG LEU 22 far 0 78 0 - 6.1-9.3 HG LEU 123 - HG LEU 122 far 0 49 0 - 6.3-9.4 HG LEU 123 - HG LEU 119 far 0 81 0 - 7.9-10.2 HG LEU 49 - HG LEU 70 far 0 55 0 - 8.9-13.0 HB3 LEU 42 - HG LEU 70 far 0 92 0 - 9.9-13.1 HG LEU 103 - HG LEU 70 far 0 82 0 - 9.9-13.2 HG LEU 49 - HG LEU 119 far 0 65 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3784 from aliabs.peaks (1.87, 1.62, 27.00 ppm; 5.06 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 100 100 2.3-2.9 2.9=100 HB3 LEU 119 + HG LEU 122 OK 24 70 35 100 5.2-9.2 ~3764=45, ~3764=40...(36) HB3 LEU 123 + HG LEU 122 OK 23 67 50 67 4.0-7.1 3.9/7743=27, ~11571=17...(11) HB2 ARG 135 - HG3 ARG 84 far 6 43 15 - 5.2-9.0 HB2 ARG 135 - HG2 ARG 84 far 5 52 10 - 5.9-10.2 HB3 LEU 123 - HG LEU 119 far 0 99 0 - 6.5-8.9 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 34 assignments used, quality = 1.00: * QD2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 122 OK 69 69 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 64 64 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 122 OK 55 55 100 100 2.1-2.1 2.1=100 QD1 LEU 103 + HG LEU 119 OK 33 99 55 61 1.9-7.3 11426/7654=15...(16) QD1 LEU 96 - HG LEU 122 poor 12 57 40 53 2.2-5.3 3100/4.3=9, 3873/3.0=7...(18) QD1 LEU 103 - HG LEU 122 far 7 66 10 - 3.3-6.8 QD2 LEU 49 - HG LEU 122 far 7 66 10 - 3.6-6.4 QD2 LEU 122 - HG LEU 119 far 5 100 5 - 3.8-8.6 QD1 LEU 96 - HG LEU 70 far 4 78 5 - 3.8-5.2 QD1 LEU 53 - HG LEU 122 far 3 69 5 - 3.3-8.9 QD1 LEU 122 - HG LEU 119 far 0 89 0 - 4.4-7.9 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 4.6-8.5 QD1 ILE 32 - HG LEU 22 far 0 72 0 - 4.7-18.4 QD2 LEU 122 - HG LEU 70 far 0 91 0 - 4.7-8.4 QG2 ILE 80 - HG2 ARG 84 far 0 36 0 - 5.0-7.7 QD1 LEU 122 - HG LEU 70 far 0 77 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 100 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 89 0 - 5.5-9.0 QG2 ILE 80 - HG3 ARG 84 far 0 30 0 - 5.8-7.7 QD1 ILE 32 - HG3 ARG 23 far 0 80 0 - 5.9-18.0 QG1 VAL 63 - HG LEU 122 far 0 67 0 - 6.0-9.0 QD1 LEU 70 - HG LEU 122 far 0 45 0 - 6.2-9.8 HG13 ILE 80 - HG2 ARG 84 far 0 41 0 - 6.2-12.6 QG1 VAL 63 - HG LEU 70 far 0 89 0 - 6.2-7.9 HG13 ILE 80 - HG3 ARG 84 far 0 34 0 - 6.7-12.4 QD2 LEU 49 - HG LEU 119 far 0 99 0 - 7.3-10.3 QD1 LEU 103 - HG LEU 70 far 0 89 0 - 7.9-11.0 QG1 VAL 63 - HG LEU 119 far 0 99 0 - 8.3-10.9 QD1 LEU 53 - HG LEU 70 far 0 91 0 - 8.5-15.1 QD1 LEU 96 - HG LEU 119 far 0 90 0 - 8.6-10.9 QD1 ILE 37 - HG LEU 70 far 0 69 0 - 8.7-11.3 QD1 ILE 32 - HG LEU 70 far 0 69 0 - 9.3-19.4 QG1 VAL 63 - HG3 ARG 23 far 0 99 0 - 9.7-31.9 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 33 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 66 71 100 94 2.0-4.0 ~10992=36, 3795/2.1=24...(26) QD2 LEU 53 - HG LEU 119 poor 18 63 45 63 3.5-8.4 11845/3.7=21...(11) QG2 VAL 126 - HG LEU 122 poor 15 44 35 - 2.8-5.2 QG1 VAL 20 - HG3 ARG 23 poor 14 57 25 - 3.4-8.5 QD2 LEU 53 - HG LEU 122 poor 13 36 35 - 3.0-10.2 QD1 LEU 62 - HG LEU 122 far 2 42 5 - 4.0-7.2 QD1 LEU 49 - HG LEU 122 far 2 40 5 - 4.3-7.7 QD1 LEU 119 - HG LEU 122 far 0 70 0 - 5.2-9.2 QG1 VAL 126 - HG LEU 122 far 0 54 0 - 5.4-7.6 QG2 VAL 63 - HG LEU 122 far 0 36 0 - 5.4-7.9 QG2 VAL 126 - HG LEU 70 far 0 62 0 - 5.5-7.8 QD1 LEU 123 - HG LEU 122 far 0 61 0 - 5.6-8.3 QG2 VAL 63 - HG LEU 119 far 0 63 0 - 5.9-9.1 QG2 VAL 112 - HG LEU 119 far 0 92 0 - 5.9-9.4 QG1 VAL 20 - HG LEU 22 far 0 50 0 - 6.2-9.6 QD1 LEU 49 - HG LEU 70 far 0 57 0 - 6.3-10.7 QG1 VAL 126 - HG LEU 70 far 0 75 0 - 6.8-9.5 QG1 VAL 112 - HG LEU 119 far 0 65 0 - 6.9-8.8 QG1 VAL 57 - HG LEU 119 far 0 100 0 - 7.1-9.9 QG1 VAL 105 - HG LEU 70 far 0 80 0 - 7.3-12.5 QD1 LEU 49 - HG LEU 119 far 0 68 0 - 7.5-11.5 QG2 VAL 63 - HG LEU 70 far 0 52 0 - 7.9-9.6 QD1 LEU 123 - HG LEU 119 far 0 95 0 - 7.9-9.8 QG2 ILE 37 - HG LEU 70 far 0 91 0 - 8.3-10.7 QG2 VAL 126 - HG LEU 119 far 0 73 0 - 9.0-10.4 QD1 LEU 48 - HG LEU 70 far 0 50 0 - 9.0-13.3 QD2 LEU 53 - HG LEU 70 far 0 52 0 - 9.3-16.8 QD1 LEU 48 - HG LEU 22 far 0 53 0 - 9.3-32.8 QG1 VAL 105 - HG LEU 122 far 0 58 0 - 9.4-12.2 QD1 LEU 48 - HG LEU 122 far 0 35 0 - 9.7-12.6 QG2 VAL 63 - HG LEU 22 far 0 55 0 - 9.7-36.7 QG1 VAL 105 - HG LEU 22 far 0 84 0 - 10.0-37.1 Violated in 0 structures by 0.00 A. Peak 3790 from aliabs.peaks (4.03, 0.79, 23.00 ppm; 3.14 A): 1 out of 9 assignments used, quality = 0.97: * HA LEU 119 + QD2 LEU 119 OK 97 100 100 97 2.1-3.5 3.9=53, 3798/2.1=51...(19) HA LEU 103 - QD2 LEU 119 far 0 97 0 - 4.3-8.2 HB3 SER 99 - QD2 LEU 119 far 0 63 0 - 5.7-9.6 HA SER 60 - QD2 LEU 119 far 0 90 0 - 6.6-10.8 HA LEU 122 - QD2 LEU 119 far 0 93 0 - 6.9-8.9 HA SER 50 - QD2 LEU 119 far 0 60 0 - 7.1-9.6 HB3 SER 124 - QD2 LEU 119 far 0 95 0 - 7.5-10.4 HA GLU 102 - QD2 LEU 119 far 0 76 0 - 8.0-12.1 HA LEU 96 - QD2 LEU 119 far 0 63 0 - 8.6-11.0 Violated in 9 structures by 0.08 A. Peak 3791 from aliabs.peaks (1.54, 0.79, 23.00 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 103 + QD2 LEU 119 OK 21 93 50 45 2.7-7.8 2.1/3409=12...(16) HB2 LEU 53 - QD2 LEU 119 far 7 73 10 - 4.2-7.8 HG LEU 123 - QD2 LEU 119 far 0 81 0 - 6.3-8.8 HG LEU 49 - QD2 LEU 119 far 0 65 0 - 6.9-10.5 Violated in 0 structures by 0.00 A. Peak 3792 from aliabs.peaks (1.87, 0.79, 23.00 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.5-3.2 3.1=100 HB3 LEU 123 - QD2 LEU 119 far 0 99 0 - 4.8-7.1 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 48 76 70 91 3.2-7.0 10992=42, 2.1/3795=20...(27) HG LEU 122 - QD2 LEU 119 far 0 89 0 - 4.6-8.5 HB2 LEU 122 - QD2 LEU 119 far 0 95 0 - 4.6-8.2 HB2 LEU 123 - QD2 LEU 119 far 0 65 0 - 4.8-8.0 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 1.9-2.1 2.1=100 QD1 LEU 62 + QD2 LEU 119 OK 44 71 90 69 1.7-4.2 2.1/10992=33...(13) QD2 LEU 53 - QD2 LEU 119 poor 18 63 55 51 2.8-7.5 3.8/11621=17...(11) QG2 VAL 63 - QD2 LEU 119 far 0 63 0 - 4.2-8.0 QG2 VAL 112 - QD2 LEU 119 far 0 92 0 - 5.3-8.7 QG1 VAL 57 - QD2 LEU 119 far 0 100 0 - 5.3-8.9 QG1 VAL 112 - QD2 LEU 119 far 0 65 0 - 5.6-7.3 QD1 LEU 49 - QD2 LEU 119 far 0 68 0 - 5.8-9.2 QD1 LEU 123 - QD2 LEU 119 far 0 95 0 - 6.3-8.0 QG2 VAL 126 - QD2 LEU 119 far 0 73 0 - 7.1-8.5 QD1 LEU 48 - QD2 LEU 119 far 0 60 0 - 8.1-12.3 QG1 VAL 126 - QD2 LEU 119 far 0 87 0 - 8.3-9.6 QG1 VAL 105 - QD2 LEU 119 far 0 92 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 3798 from aliabs.peaks (4.03, 0.94, 25.07 ppm; 3.66 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 119 + QD1 LEU 119 OK 100 100 100 100 3.2-3.9 3790/2.1=81, 4.1=71...(11) HA LEU 103 - QD1 LEU 119 far 0 97 0 - 5.7-7.7 HB3 SER 99 - QD1 LEU 119 far 0 63 0 - 6.2-9.8 HA SER 60 - QD1 LEU 119 far 0 90 0 - 7.9-10.1 HA LEU 122 - QD1 LEU 119 far 0 93 0 - 8.0-9.3 HA SER 50 - QD1 LEU 119 far 0 60 0 - 8.2-10.3 HB3 SER 124 - QD1 LEU 119 far 0 95 0 - 9.0-10.6 HA GLU 102 - QD1 LEU 119 far 0 76 0 - 9.3-11.5 HA LEU 96 - QD1 LEU 119 far 0 63 0 - 9.8-11.7 Violated in 17 structures by 0.16 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 2.1-3.1 3.0=100 HB2 LEU 53 - QD1 LEU 119 far 4 73 5 - 3.5-6.7 HG LEU 103 - QD1 LEU 119 far 0 93 0 - 5.0-7.8 HG LEU 123 - QD1 LEU 119 far 0 81 0 - 7.1-8.9 HG LEU 49 - QD1 LEU 119 far 0 65 0 - 8.2-11.4 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 1.9-3.1 3.0=100 HB3 LEU 123 - QD1 LEU 119 far 0 99 0 - 6.2-7.7 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 - 4.0-6.3 HG LEU 122 - QD1 LEU 119 far 0 89 0 - 5.2-9.2 HB2 LEU 123 - QD1 LEU 119 far 0 65 0 - 6.4-8.4 HB2 LEU 122 - QD1 LEU 119 far 0 95 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 3802 from aliabs.peaks (0.79, 0.94, 25.07 ppm; 2.54 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 - QD1 LEU 119 far 15 99 15 - 3.1-6.4 QD2 LEU 122 - QD1 LEU 119 far 0 100 0 - 4.2-8.1 QD1 LEU 122 - QD1 LEU 119 far 0 89 0 - 4.4-7.9 QD1 LEU 53 - QD1 LEU 119 far 0 100 0 - 5.2-7.4 QD2 LEU 49 - QD1 LEU 119 far 0 99 0 - 6.3-9.4 QG1 VAL 63 - QD1 LEU 119 far 0 99 0 - 7.9-9.3 QD1 LEU 96 - QD1 LEU 119 far 0 90 0 - 8.0-9.9 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 2.6-3.0 3.0=100 HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 3808 from aliabs.peaks (2.80, 4.42, 55.85 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 3813 from aliabs.peaks (1.65, 4.42, 55.85 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 123 + HA ASN 120 OK 100 100 100 100 1.9-3.6 3918=84, 1.8/3927=67...(20) HG LEU 119 - HA ASN 120 far 0 65 0 - 5.3-6.5 HG LEU 62 - HA ASN 120 far 0 100 0 - 8.5-10.1 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 2.3-4.6 3927=76, 1.8/3813=74...(20) HB3 LEU 119 + HA ASN 120 OK 97 99 100 98 4.0-4.8 7665/2.9=62, ~7664=38...(19) Violated in 0 structures by 0.00 A. Peak 3816 from aliabs.peaks (4.42, 2.80, 37.41 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 HA THR 115 - HB3 ASN 120 far 0 73 0 - 6.2-11.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 6.8-11.5 HA THR 115 - HB2 ASN 120 far 0 73 0 - 7.6-11.6 HA THR 54 - HB2 ASN 120 far 0 100 0 - 7.7-11.8 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 2.2-3.6 3.5=100 HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.2-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3823 from aliabs.peaks (4.42, 2.80, 37.41 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.6-3.0 3.0=100 HA THR 115 - HB3 ASN 120 far 0 73 0 - 6.2-11.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 6.8-11.5 HA THR 115 - HB2 ASN 120 far 0 73 0 - 7.6-11.6 HA THR 54 - HB2 ASN 120 far 0 100 0 - 7.7-11.8 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 2.2-4.1 3.5=100 HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 3829 from aliabs.peaks (8.12, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HA ASN 121 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3830 from aliabs.peaks (4.48, 4.48, 56.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HA ASN 121 OK 100 100 - 100 Peak 3831 from aliabs.peaks (2.80, 4.48, 56.15 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 100 100 2.4-2.8 3.0=100 HB2 ASN 120 + HA ASN 121 OK 90 100 90 100 3.9-5.0 11626=100, 10300/3974=41...(14) HB3 ASN 120 - HA ASN 121 far 15 100 15 - 3.9-5.7 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 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3833 from aliabs.peaks (6.88, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HA ASN 121 OK 100 100 100 100 4.0-4.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 3834 from aliabs.peaks (7.78, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HA ASN 121 OK 100 100 100 100 4.1-4.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 3835 from aliabs.peaks (8.18, 4.48, 56.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 122 + HA ASN 121 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 127 + HA ASN 121 OK 23 97 30 80 7.5-8.8 7805/7774=45...(4) 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 3.7-4.4 7758=100, 7769/3968=100...(12) 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 3.5-4.9 3968=100, 1.8/3974=99...(6) HB3 SER 124 + HA ASN 121 OK 76 76 100 100 3.4-4.8 1.8/3968=99, 4.0/7758=67...(7) HB3 SER 99 + HA ASN 121 OK 62 99 80 79 4.6-6.5 11475/10324=44...(8) HA LEU 100 - HA ASN 121 far 0 71 0 - 8.8-10.0 HA SER 50 - HA ASN 121 far 0 99 0 - 9.1-11.3 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 3.4-4.8 3974=100, 1.8/3968=99...(7) HB2 SER 124 + HA ASN 121 OK 76 76 100 100 3.5-4.9 1.8/3974=99, 4.0/7758=67...(5) 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 60 92 80 81 4.6-6.5 11475/10324=39...(8) HA LEU 119 - HA ASN 121 far 0 95 0 - 6.6-7.1 HA LYS 95 - HA ASN 121 far 0 96 0 - 8.3-10.1 HA SER 50 - HA ASN 121 far 0 90 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 3839 from aliabs.peaks (3.81, 2.80, 37.82 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HB2 ASN 121 OK 100 100 100 100 2.0-4.8 3734=100, 3735/1.8=79...(32) Violated in 2 structures by 0.04 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 2.4-2.8 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 2.2-4.0 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 1 assignment used, quality = 1.00: * HA VAL 118 + HB3 ASN 121 OK 100 100 100 100 1.9-3.2 3735=100, 3734/1.8=79...(30) 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 2.1-3.1 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 2.9-3.0 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 - 4.9-7.2 HB2 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.0-6.4 Violated in 0 structures by 0.00 A. Peak 3851 from aliabs.peaks (2.98, 2.98, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HB3 ASN 121 OK 100 100 - 100 Peak 3852 from aliabs.peaks (6.88, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.3-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 3853 from aliabs.peaks (7.78, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.1-3.8 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 2.2-2.7 4.3=100 H GLN 127 - HB3 ASN 121 far 0 97 0 - 8.5-10.2 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 LEU 122 + HA LEU 96 OK 72 73 100 98 4.7-6.1 11749/10397=28...(34) H GLN 127 + HA LEU 122 OK 41 97 45 95 5.6-6.5 4020/11604=60...(12) H GLN 127 - HA LEU 96 far 0 67 0 - 6.8-7.9 H LEU 122 - HA GLU 102 far 0 91 0 - 9.5-11.6 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 11 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 122 + HA LEU 122 OK 100 100 100 100 2.1-4.3 4.3=100 HB2 LEU 122 + HA LEU 96 OK 73 73 100 100 3.2-5.7 3868=34, 3.1/3901=25...(45) HG LEU 122 + HA LEU 96 OK 70 73 100 97 3.1-5.9 3.0/3868=29, 2.1/3901=25...(23) HG LEU 70 - HA LEU 96 far 0 73 0 - 7.2-8.7 HG LEU 70 - HA LEU 122 far 0 100 0 - 8.3-10.5 HG LEU 119 - HA LEU 122 far 0 95 0 - 8.5-10.3 HB2 LEU 122 - HA GLU 102 far 0 91 0 - 8.8-12.2 HG LEU 122 - HA GLU 102 far 0 90 0 - 8.9-10.8 HG LEU 119 - HA GLU 102 far 0 82 0 - 9.2-13.9 HG LEU 70 - HA GLU 102 far 0 91 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 3858 from aliabs.peaks (1.79, 4.04, 58.49 ppm; 4.41 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 122 + HA LEU 96 OK 39 73 55 98 3.1-6.4 1.8/3868=24, 3.1/3901=19...(48) HG LEU 100 + HA LEU 122 OK 37 89 45 93 4.4-6.9 3870/3.0=29, 3895/3.8=27...(24) HB3 LEU 98 + HA LEU 96 OK 33 71 50 94 4.6-6.8 2963/4.9=45, 9998/3.6=26...(23) HB2 LEU 48 - HA GLU 44 poor 19 54 35 - 4.7-7.3 HG LEU 100 - HA LEU 96 poor 18 59 30 - 4.5-7.1 HB3 LEU 103 - HA GLU 102 far 0 91 0 - 5.5-6.6 HB3 LEU 98 - HA LEU 122 far 0 99 0 - 5.7-9.2 HB3 LEU 98 - HA GLU 102 far 0 89 0 - 6.4-9.1 HB3 LEU 103 - HA LEU 122 far 0 100 0 - 7.2-10.1 HB3 LEU 103 - HA LEU 96 far 0 73 0 - 7.4-11.0 HB3 LEU 122 - HA GLU 102 far 0 91 0 - 8.3-12.4 HG LEU 100 - HA GLU 102 far 0 76 0 - 8.6-9.8 HB2 LYS 39 - HA GLU 44 far 0 30 0 - 8.9-10.8 HB3 LYS 24 - HA GLU 44 far 0 37 0 - 9.6-34.7 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 14 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 100 100 100 100 2.1-4.3 4.3=100 HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 122 + HA LEU 96 OK 72 73 100 100 3.2-5.7 3868=34, 11677/10397=28...(45) HG LEU 122 + HA LEU 96 OK 71 73 100 97 3.1-5.9 3.0/3868=29, 2.1/3901=25...(23) HB2 LEU 103 + HA GLU 102 OK 53 54 100 98 5.5-6.1 10066/2.9=70, ~11410=44...(12) HB2 LEU 103 - HA LEU 122 far 0 65 0 - 6.6-8.7 HG LEU 70 - HA LEU 96 far 0 71 0 - 7.2-8.7 HB2 LEU 103 - HA LEU 96 far 0 41 0 - 7.9-9.5 HG LEU 70 - HA LEU 122 far 0 99 0 - 8.3-10.5 HG LEU 119 - HA LEU 122 far 0 89 0 - 8.5-10.3 HB2 LEU 122 - HA GLU 102 far 0 90 0 - 8.8-12.2 HG LEU 122 - HA GLU 102 far 0 91 0 - 8.9-10.8 HG LEU 119 - HA GLU 102 far 0 76 0 - 9.2-13.9 HG LEU 70 - HA GLU 102 far 0 89 0 - 9.8-13.6 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 27 assignments used, quality = 1.00: * QD1 LEU 122 + HA LEU 122 OK 100 100 100 100 2.5-4.0 3.8=100 QD2 LEU 122 + HA LEU 122 OK 83 83 100 100 1.8-4.1 3.9=100 QD1 LEU 122 + HA LEU 96 OK 56 73 80 95 3.3-5.6 2.1/3901=24, 3.1/3868=20...(27) QD2 LEU 122 + HA LEU 96 OK 50 54 100 92 2.2-5.2 3.1/3868=20, 3901=19...(26) QD2 LEU 49 + HA LEU 122 OK 33 98 45 74 3.9-7.4 11676/11604=52...(9) QD1 LEU 53 + HA LEU 122 OK 27 95 40 72 4.1-8.5 3907/3.6=25, ~11749=19...(12) QD1 LEU 103 - HA GLU 102 far 3 59 5 - 4.6-6.7 QD2 LEU 49 - HA LEU 96 far 0 69 0 - 5.6-8.0 QD1 LEU 103 - HA LEU 122 far 0 71 0 - 6.0-8.9 QD1 LEU 70 - HA LEU 96 far 0 71 0 - 6.4-7.5 QD2 LEU 122 - HA GLU 102 far 0 70 0 - 6.5-10.6 QD1 LEU 122 - HA GLU 102 far 0 91 0 - 6.6-10.1 QD1 LEU 53 - HA LEU 96 far 0 65 0 - 6.7-10.8 QD2 LEU 119 - HA LEU 122 far 0 89 0 - 6.9-8.9 QG1 VAL 63 - HA GLU 102 far 0 61 0 - 7.0-7.9 QG2 ILE 129 - HA LEU 96 far 0 57 0 - 7.0-8.6 QD1 LEU 103 - HA LEU 96 far 0 45 0 - 7.2-9.8 QD2 LEU 49 - HA GLU 44 far 0 56 0 - 7.3-9.6 QD1 LEU 70 - HA LEU 122 far 0 99 0 - 7.4-9.3 QD2 LEU 119 - HA GLU 102 far 0 76 0 - 8.0-12.1 QG2 ILE 129 - HA LEU 122 far 0 87 0 - 8.1-9.3 QD1 LEU 70 - HA GLU 102 far 0 89 0 - 8.1-11.6 QD2 LEU 119 - HA LEU 96 far 0 59 0 - 8.6-11.0 QG2 ILE 129 - HA GLU 44 far 0 46 0 - 8.7-9.7 QG1 VAL 63 - HA LEU 96 far 0 46 0 - 8.8-10.8 QG1 VAL 63 - HA LEU 122 far 0 73 0 - 8.8-10.4 QD1 LEU 53 - HA GLU 44 far 0 52 0 - 9.7-12.8 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 27 assignments used, quality = 1.00: * QD2 LEU 122 + HA LEU 122 OK 100 100 100 100 1.8-4.1 3.9=100 QD1 LEU 96 + HA LEU 122 OK 91 95 100 96 2.8-4.5 3100=31, 9987/3994=29...(25) QD1 LEU 122 + HA LEU 122 OK 83 83 100 100 2.5-4.0 3.8=100 QD2 LEU 122 + HA LEU 96 OK 70 73 100 95 2.2-5.2 3901=25, 10337/3.0=24...(27) QD1 LEU 96 + HA LEU 96 OK 65 65 100 100 2.7-3.4 4.0=100 QD1 LEU 122 + HA LEU 96 OK 39 54 80 91 3.3-5.6 2.1/3901=24, 3.1/3868=20...(26) QD2 LEU 49 + HA LEU 122 OK 28 97 45 64 3.9-7.4 11613/11604=39...(9) QD1 LEU 53 + HA LEU 122 OK 26 99 35 74 4.1-8.5 3907/3.6=33, ~11749=19...(11) QD1 LEU 103 - HA GLU 102 far 4 90 5 - 4.6-6.7 QD2 LEU 49 - HA LEU 96 far 0 67 0 - 5.6-8.0 QD1 LEU 103 - HA LEU 122 far 0 100 0 - 6.0-8.9 QD1 LEU 70 - HA LEU 96 far 0 43 0 - 6.4-7.5 QD2 LEU 122 - HA GLU 102 far 0 91 0 - 6.5-10.6 QD1 LEU 122 - HA GLU 102 far 0 70 0 - 6.6-10.1 QD1 LEU 53 - HA LEU 96 far 0 71 0 - 6.7-10.8 QD2 LEU 119 - HA LEU 122 far 0 100 0 - 6.9-8.9 QG1 VAL 63 - HA GLU 102 far 0 90 0 - 7.0-7.9 QD1 LEU 103 - HA LEU 96 far 0 72 0 - 7.2-9.8 QD2 LEU 49 - HA GLU 44 far 0 54 0 - 7.3-9.6 QD1 LEU 70 - HA LEU 122 far 0 68 0 - 7.4-9.3 QD2 LEU 119 - HA GLU 102 far 0 91 0 - 8.0-12.1 QD1 LEU 70 - HA GLU 102 far 0 57 0 - 8.1-11.6 QD2 LEU 119 - HA LEU 96 far 0 73 0 - 8.6-11.0 QG1 VAL 63 - HA LEU 96 far 0 73 0 - 8.8-10.8 QG1 VAL 63 - HA LEU 122 far 0 100 0 - 8.8-10.4 QD1 LEU 96 - HA GLU 102 far 0 82 0 - 8.9-10.5 QD1 LEU 53 - HA GLU 44 far 0 57 0 - 9.7-12.8 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 12 assignments used, quality = 1.00: * H LEU 123 + HA LEU 122 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 126 + HA LEU 122 OK 95 96 100 100 3.2-4.2 4.0/11604=58...(23) H LEU 96 + HA LEU 122 OK 82 99 85 98 4.8-6.1 3.8/3067=27, 4.6/3100=24...(35) 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 4.2-5.4 4021/10397=64...(20) H SER 99 + HA LEU 122 OK 61 73 90 93 4.2-6.1 3.7/3214=41, 3.7/3208=40...(18) H SER 99 + HA LEU 96 OK 46 46 100 98 3.5-4.2 7337/3.6=34, 3.4/7388=33...(25) H LEU 43 + HA GLU 44 OK 42 43 100 98 5.2-5.5 6535/3.6=58...(10) H LEU 123 - HA LEU 96 poor 15 73 30 69 5.6-7.0 3.3/3855=20, 4.3/3868=20...(10) H SER 99 - HA GLU 102 far 0 61 0 - 6.8-8.1 H GLU 40 - HA GLU 44 far 0 43 0 - 7.8-8.5 H ASP 131 - HA GLU 44 far 0 59 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 3863 from aliabs.peaks (8.04, 4.04, 58.49 ppm; 5.45 A): 3 out of 7 assignments used, quality = 1.00: * H CYS 125 + HA LEU 122 OK 100 100 100 100 3.1-3.8 7776/3.6=73, 3.4/7760=44...(21) H CYS 125 + HA LEU 96 OK 73 73 100 99 4.4-5.7 11603/10397=63...(18) H LEU 48 + HA GLU 44 OK 57 57 100 100 4.0-4.7 6575=98, 6581/1471=82...(7) H SER 130 - HA GLU 44 far 0 58 0 - 8.8-10.1 H SER 130 - HA LEU 122 far 0 99 0 - 9.7-10.9 H ALA 52 - HA LEU 122 far 0 92 0 - 9.8-13.0 H SER 130 - HA LEU 96 far 0 71 0 - 9.8-10.7 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 2.2-4.2 11595/3.0=62...(20) HB2 CYS 125 + HA LEU 96 OK 73 73 100 100 2.4-3.6 11655/3.0=70...(27) HB2 ASP 47 + HA GLU 44 OK 51 51 100 100 3.1-4.8 1.8/1477=97, 1471=90...(6) HB2 CYS 73 - HA LEU 96 far 0 70 0 - 9.0-10.9 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 2 assignments used, quality = 1.00: * HB3 CYS 125 + HA LEU 122 OK 100 100 100 100 1.9-3.9 11656/3.0=86...(22) HB3 CYS 125 + HA LEU 96 OK 73 73 100 100 2.1-3.4 9987/4.0=77...(26) Violated in 0 structures by 0.00 A. Peak 3866 from aliabs.peaks (4.03, 1.61, 41.93 ppm; 4.25 A): 4 out of 10 assignments used, quality = 0.99: HA LEU 122 + HB2 LEU 122 OK 93 93 100 100 2.3-3.0 3.0=100 * HA LEU 119 + HB2 LEU 122 OK 44 100 45 98 3.5-6.2 3764/1.8=78, 3762/3.5=43...(20) HB3 SER 99 + HB2 LEU 122 OK 43 63 70 98 2.0-6.5 1.8/11374=28, ~11479=28...(25) HA LEU 96 + HB2 LEU 122 OK 39 63 65 95 3.2-5.7 10397/11677=19...(44) HA SER 50 - HB2 LEU 122 far 0 60 0 - 6.2-10.6 HA LEU 103 - HB2 LEU 122 far 0 97 0 - 6.8-10.5 HB3 SER 124 - HB2 LEU 122 far 0 95 0 - 6.9-8.8 HA LYS 95 - HB2 LEU 122 far 0 100 0 - 7.7-10.3 HA ALA 92 - HB2 LEU 122 far 0 60 0 - 8.7-12.1 HA GLU 102 - HB2 LEU 122 far 0 76 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 3868 from aliabs.peaks (4.04, 1.61, 41.93 ppm; 4.72 A): 3 out of 9 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 96 + HB2 LEU 122 OK 87 93 95 99 3.2-5.7 10397/11677=21...(45) HA LEU 119 + HB2 LEU 122 OK 69 93 75 99 3.5-6.2 3764/1.8=80, 3762/3.5=48...(21) HB THR 65 - HB2 LEU 122 far 0 71 0 - 6.3-9.4 HA LEU 103 - HB2 LEU 122 far 0 71 0 - 6.8-10.5 HB3 SER 124 - HB2 LEU 122 far 0 65 0 - 6.9-8.8 HA LYS 95 - HB2 LEU 122 far 0 92 0 - 7.7-10.3 HA ALA 92 - HB2 LEU 122 far 0 92 0 - 8.7-12.1 HA GLU 102 - HB2 LEU 122 far 0 98 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 3869 from aliabs.peaks (1.61, 1.61, 41.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 HB3 LEU 22 + HB3 LEU 22 OK 90 90 - 100 Peak 3870 from aliabs.peaks (1.79, 1.61, 41.93 ppm; 3.36 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 100 + HB2 LEU 122 OK 49 89 60 92 2.5-6.4 3887/3.0=19, 3903/3.1=19...(36) HB3 LYS 31 - HB3 LEU 22 far 0 68 0 - 4.3-22.5 HB3 LEU 103 - HB2 LEU 122 far 0 100 0 - 5.3-9.0 HB3 LYS 24 - HB3 LEU 22 far 0 64 0 - 5.4-8.2 HB3 ARG 23 - HB3 LEU 22 far 0 54 0 - 6.0-7.9 HB3 LEU 98 - HB2 LEU 122 far 0 99 0 - 6.4-11.4 HB3 LYS 19 - HB3 LEU 22 far 0 79 0 - 7.3-9.4 HB ILE 32 - HB3 LEU 22 far 0 70 0 - 7.7-22.7 HB2 LEU 48 - HB2 LEU 122 far 0 97 0 - 8.7-13.7 HB3 LYS 26 - HB3 LEU 22 far 0 61 0 - 9.6-14.2 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 9 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 40 95 65 66 2.0-8.5 3907/4.3=18, ~11749=13...(18) QD2 LEU 49 + HB2 LEU 122 OK 27 98 75 36 2.1-6.0 11681/11677=13...(10) QD1 LEU 103 - HB2 LEU 122 poor 14 71 20 - 3.9-7.5 QD2 LEU 119 - HB2 LEU 122 far 13 89 15 - 4.6-8.2 QD1 LEU 70 - HB2 LEU 122 far 0 99 0 - 5.8-9.8 QG1 VAL 63 - HB2 LEU 122 far 0 73 0 - 7.2-8.8 QG2 ILE 129 - HB2 LEU 122 far 0 87 0 - 8.1-10.7 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 10 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 96 + HB2 LEU 122 OK 83 95 90 98 1.9-5.4 9986/11595=29...(42) QD1 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 50 99 70 72 2.0-8.5 3907/4.3=25, ~11749=14...(19) QD2 LEU 49 + HB2 LEU 122 OK 27 97 80 34 2.1-6.0 11681/11677=10...(10) QD1 LEU 103 - HB2 LEU 122 poor 20 100 20 - 3.9-7.5 QD2 LEU 119 - HB2 LEU 122 far 15 100 15 - 4.6-8.2 QD1 ILE 32 - HB3 LEU 22 far 4 77 5 - 4.6-17.6 QD1 LEU 70 - HB2 LEU 122 far 0 68 0 - 5.8-9.8 QG1 VAL 63 - HB2 LEU 122 far 0 100 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 3875 from aliabs.peaks (4.03, 1.79, 41.93 ppm; 4.18 A): 6 out of 27 assignments used, quality = 1.00: HA LYS 95 + HB3 LEU 98 OK 96 96 100 100 2.9-4.4 2963=99, 3158/1.8=85...(21) HA LEU 122 + HB3 LEU 122 OK 93 93 100 100 2.3-3.0 3.0=100 HA LEU 103 + HB3 LEU 103 OK 88 88 100 100 2.3-3.0 3.0=100 * HA LEU 119 + HB3 LEU 122 OK 55 100 55 100 3.0-5.7 3764=99, 3762/3.5=42...(21) HB3 SER 99 + HB3 LEU 122 OK 49 63 80 98 1.9-6.4 ~11479=27, ~3208=23...(24) HA LEU 96 + HB3 LEU 122 OK 33 63 55 96 3.1-6.4 3868/1.8=18...(47) HA LEU 96 - HB3 LEU 98 poor 14 56 25 - 4.6-6.8 HB3 SER 99 - HB3 LEU 98 far 6 56 10 - 3.7-6.8 HA GLU 44 - HB2 LEU 48 far 5 54 10 - 4.7-7.3 HB3 SER 99 - HB3 LEU 103 far 3 55 5 - 4.6-7.5 HA LEU 119 - HB3 LEU 103 far 0 94 0 - 5.3-8.2 HA GLU 102 - HB3 LEU 103 far 0 67 0 - 5.5-6.6 HA LEU 122 - HB3 LEU 98 far 0 86 0 - 5.7-9.2 HA SER 60 - HB3 LEU 103 far 0 81 0 - 5.9-9.2 HA GLU 102 - HB3 LEU 98 far 0 69 0 - 6.4-9.1 HA SER 50 - HB3 LEU 122 far 0 60 0 - 6.5-10.9 HA LEU 103 - HB3 LEU 122 far 0 97 0 - 6.5-9.7 HA LYS 95 - HB3 LEU 122 far 0 100 0 - 7.0-11.0 HB3 SER 124 - HB3 LEU 122 far 0 95 0 - 7.1-8.4 HA SER 50 - HB2 LEU 48 far 0 33 0 - 7.2-8.5 HA LEU 122 - HB3 LEU 103 far 0 84 0 - 7.2-10.1 HA LEU 96 - HB3 LEU 103 far 0 55 0 - 7.4-11.0 HA GLU 102 - HB3 LEU 122 far 0 76 0 - 8.3-12.4 HA ALA 92 - HB3 LEU 98 far 0 54 0 - 8.3-10.0 HA ALA 92 - HB3 LEU 122 far 0 60 0 - 8.8-12.1 HA GLN 68 - HB2 LEU 48 far 0 43 0 - 9.1-11.8 HA LEU 103 - HB3 LEU 98 far 0 90 0 - 9.2-11.4 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 2.1-2.8 3.5=100 H LEU 122 - HB3 LEU 98 far 5 96 5 - 6.6-10.4 H LEU 122 - HB3 LEU 103 far 5 94 5 - 6.7-9.0 H GLN 127 - HB3 LEU 122 far 0 97 0 - 6.8-8.2 H GLN 127 - HB2 LEU 48 far 0 60 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3877 from aliabs.peaks (4.04, 1.79, 41.93 ppm; 4.32 A): 6 out of 24 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 95 + HB3 LEU 98 OK 85 85 100 100 2.9-4.4 2963=86, 3158/1.8=78...(21) HA LEU 119 + HB3 LEU 122 OK 69 93 75 99 3.0-5.7 3764=90, 3762/3.5=40...(21) HA LEU 103 + HB3 LEU 103 OK 62 62 100 100 2.3-3.0 3.0=100 HA LEU 96 + HB3 LEU 122 OK 50 93 55 98 3.1-6.4 3868/1.8=23, 3858=22...(49) HA LEU 96 + HB3 LEU 98 OK 36 86 45 94 4.6-6.8 4.9/2963=42, 3.6/9998=24...(23) HB THR 65 - HB2 LEU 48 poor 18 39 45 - 4.2-8.0 HA GLU 44 - HB2 LEU 48 far 10 66 15 - 4.7-7.3 HA LEU 119 - HB3 LEU 103 far 0 84 0 - 5.3-8.2 HA GLU 102 - HB3 LEU 103 far 0 90 0 - 5.5-6.6 HA LEU 122 - HB3 LEU 98 far 0 96 0 - 5.7-9.2 HA SER 60 - HB3 LEU 103 far 0 50 0 - 5.9-9.2 HA GLU 102 - HB3 LEU 98 far 0 92 0 - 6.4-9.1 HA LEU 103 - HB3 LEU 122 far 0 71 0 - 6.5-9.7 HB THR 65 - HB3 LEU 122 far 0 71 0 - 6.7-9.9 HA LYS 95 - HB3 LEU 122 far 0 92 0 - 7.0-11.0 HB3 SER 124 - HB3 LEU 122 far 0 65 0 - 7.1-8.4 HA LEU 122 - HB3 LEU 103 far 0 94 0 - 7.2-10.1 HA LEU 96 - HB3 LEU 103 far 0 84 0 - 7.4-11.0 HA GLU 102 - HB3 LEU 122 far 0 98 0 - 8.3-12.4 HB THR 65 - HB3 LEU 103 far 0 62 0 - 8.3-11.6 HA ALA 92 - HB3 LEU 98 far 0 85 0 - 8.3-10.0 HA ALA 92 - HB3 LEU 122 far 0 92 0 - 8.8-12.1 HA LEU 103 - HB3 LEU 98 far 0 64 0 - 9.2-11.4 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 119 - HB3 LEU 103 far 4 86 5 - 3.9-10.0 HG LEU 122 - HB3 LEU 103 far 0 94 0 - 4.5-7.9 HB2 LEU 122 - HB3 LEU 103 far 0 94 0 - 5.3-9.0 HG LEU 119 - HB3 LEU 122 far 0 95 0 - 5.7-9.1 HB2 LEU 122 - HB3 LEU 98 far 0 96 0 - 6.4-11.4 HG LEU 122 - HB3 LEU 98 far 0 95 0 - 6.5-10.1 HG LEU 70 - HB3 LEU 122 far 0 100 0 - 7.9-11.3 HG LEU 70 - HB3 LEU 98 far 0 96 0 - 8.0-11.2 HB2 LEU 122 - HB2 LEU 48 far 0 66 0 - 8.7-13.7 HG LEU 70 - HB3 LEU 103 far 0 94 0 - 8.7-13.6 HG LEU 122 - HB2 LEU 48 far 0 65 0 - 9.9-15.4 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 5 94 5 - 4.5-7.9 HG LEU 119 - HB3 LEU 103 far 4 79 5 - 3.9-10.0 HB2 LEU 103 - HB3 LEU 122 far 3 65 5 - 4.3-7.4 HB2 LEU 122 - HB3 LEU 103 far 0 94 0 - 5.3-9.0 HG LEU 119 - HB3 LEU 122 far 0 89 0 - 5.7-9.1 HB2 LEU 122 - HB3 LEU 98 far 0 95 0 - 6.4-11.4 HG LEU 122 - HB3 LEU 98 far 0 96 0 - 6.5-10.1 HG LEU 70 - HB3 LEU 122 far 0 99 0 - 7.9-11.3 HG LEU 70 - HB3 LEU 98 far 0 94 0 - 8.0-11.2 HB2 LEU 103 - HB3 LEU 98 far 0 59 0 - 8.3-10.2 HB2 LEU 122 - HB2 LEU 48 far 0 65 0 - 8.7-13.7 HG LEU 70 - HB3 LEU 103 far 0 92 0 - 8.7-13.6 HG LEU 122 - HB2 LEU 48 far 0 66 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 3881 from aliabs.peaks (0.81, 1.79, 41.93 ppm; 3.72 A): 4 out of 31 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 62 62 100 100 2.1-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 41 64 65 98 3.3-6.9 10972/1.8=30...(31) QD1 LEU 53 - HB3 LEU 122 poor 20 95 35 59 2.9-9.2 3907/4.3=14, ~11749=10...(16) QD2 LEU 122 - HB3 LEU 103 poor 18 73 40 63 3.4-7.1 3376/1.8=13...(25) QD1 LEU 122 - HB3 LEU 103 poor 14 94 25 57 3.4-7.1 ~3376=12, ~3376=11...(20) QD2 LEU 49 - HB2 LEU 48 poor 12 62 20 - 3.9-7.1 QD2 LEU 49 - HB3 LEU 122 poor 12 98 40 30 2.6-6.8 11681/11678=9...(10) QD1 LEU 103 - HB3 LEU 122 far 11 71 15 - 3.9-7.0 QD2 LEU 119 - HB3 LEU 122 far 4 89 5 - 4.4-7.9 QD2 LEU 119 - HB3 LEU 103 far 4 79 5 - 4.0-8.3 QD2 LEU 122 - HB3 LEU 98 far 0 75 0 - 5.0-7.8 QD1 LEU 122 - HB3 LEU 98 far 0 96 0 - 5.7-9.3 QD1 LEU 53 - HB2 LEU 48 far 0 58 0 - 6.2-10.2 QD2 LEU 49 - HB3 LEU 103 far 0 90 0 - 6.4-10.6 QD1 LEU 70 - HB3 LEU 122 far 0 99 0 - 6.5-10.4 QD1 LEU 70 - HB3 LEU 103 far 0 93 0 - 6.6-10.7 QD1 LEU 70 - HB3 LEU 98 far 0 94 0 - 6.9-8.8 QD1 LEU 122 - HB2 LEU 48 far 0 66 0 - 6.9-11.7 QG1 VAL 63 - HB3 LEU 122 far 0 73 0 - 7.1-8.8 QD2 LEU 122 - HB2 LEU 48 far 0 48 0 - 7.3-13.0 QD1 LEU 53 - HB3 LEU 103 far 0 86 0 - 7.4-12.6 QD1 LEU 103 - HB3 LEU 98 far 0 64 0 - 7.4-10.1 QG2 ILE 129 - HB3 LEU 122 far 0 87 0 - 9.2-10.9 QG1 VAL 63 - HB3 LEU 98 far 0 66 0 - 9.3-12.1 QD2 LEU 49 - HB3 LEU 98 far 0 92 0 - 9.3-12.1 QD2 LEU 119 - HB2 LEU 48 far 0 53 0 - 9.4-13.7 QG1 VAL 63 - HB2 LEU 48 far 0 41 0 - 9.6-12.9 QD1 LEU 53 - HB3 LEU 98 far 0 88 0 - 9.7-14.5 QG2 ILE 129 - HB2 LEU 48 far 0 51 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3882 from aliabs.peaks (0.79, 1.79, 41.93 ppm; 3.68 A): 7 out of 34 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 2.1-3.2 3.2=100 QD1 LEU 122 + HB3 LEU 122 OK 83 83 100 100 1.9-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 67 95 75 94 2.8-5.5 9986/11653=24...(45) QG1 VAL 63 + HB3 LEU 103 OK 60 94 65 99 3.3-6.9 10972/1.8=47...(33) QD2 LEU 122 + HB3 LEU 103 OK 26 94 40 69 3.4-7.1 3376/1.8=19...(24) QD1 LEU 53 + HB3 LEU 122 OK 21 99 35 62 2.9-9.2 3907/4.3=19, ~11749=10...(16) QD1 LEU 122 - HB3 LEU 103 poor 18 73 25 - 3.4-7.1 QD1 LEU 103 - HB3 LEU 122 far 15 100 15 - 3.9-7.0 QD2 LEU 49 - HB2 LEU 48 poor 12 60 20 - 3.9-7.1 QD2 LEU 49 - HB3 LEU 122 poor 9 97 35 26 2.6-6.8 11681/11678=7...(10) QD2 LEU 119 - HB3 LEU 122 far 5 100 5 - 4.4-7.9 QD2 LEU 119 - HB3 LEU 103 far 5 94 5 - 4.0-8.3 QD2 LEU 122 - HB3 LEU 98 far 0 96 0 - 5.0-7.8 QD1 LEU 122 - HB3 LEU 98 far 0 75 0 - 5.7-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 88 0 - 6.1-8.1 QD1 LEU 53 - HB2 LEU 48 far 0 64 0 - 6.2-10.2 QD2 LEU 49 - HB3 LEU 103 far 0 88 0 - 6.4-10.6 QD1 LEU 70 - HB3 LEU 122 far 0 68 0 - 6.5-10.4 QD1 LEU 96 - HB3 LEU 103 far 0 86 0 - 6.6-9.3 QD1 LEU 70 - HB3 LEU 103 far 0 60 0 - 6.6-10.7 QD1 LEU 70 - HB3 LEU 98 far 0 61 0 - 6.9-8.8 QD1 LEU 122 - HB2 LEU 48 far 0 48 0 - 6.9-11.7 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 7.1-8.8 QD2 LEU 122 - HB2 LEU 48 far 0 66 0 - 7.3-13.0 QD1 LEU 53 - HB3 LEU 103 far 0 92 0 - 7.4-12.6 QD1 LEU 103 - HB3 LEU 98 far 0 95 0 - 7.4-10.1 QD1 LEU 96 - HB2 LEU 48 far 0 58 0 - 7.7-10.9 QD1 ILE 32 - HB2 LEU 48 far 0 51 0 - 9.3-21.8 QG1 VAL 63 - HB3 LEU 98 far 0 95 0 - 9.3-12.1 QD2 LEU 49 - HB3 LEU 98 far 0 90 0 - 9.3-12.1 QD2 LEU 119 - HB2 LEU 48 far 0 66 0 - 9.4-13.7 QG1 VAL 63 - HB2 LEU 48 far 0 65 0 - 9.6-12.9 QD1 LEU 53 - HB3 LEU 98 far 0 94 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 3883 from aliabs.peaks (8.27, 1.79, 41.93 ppm; 4.92 A): 5 out of 13 assignments used, quality = 1.00: * H LEU 123 + HB3 LEU 122 OK 100 100 100 100 2.6-4.1 4.3=100 H VAL 126 + HB3 LEU 122 OK 88 96 95 97 5.0-5.9 10405/1.8=58...(16) H SER 99 + HB3 LEU 98 OK 66 66 100 100 2.1-3.7 4.6=100 H LEU 96 + HB3 LEU 98 OK 54 93 60 96 5.2-7.0 3.6/2963=73...(10) H SER 99 + HB3 LEU 122 OK 39 73 55 95 3.9-7.7 3.4/7399=26...(25) H LEU 96 - HB3 LEU 122 far 5 99 5 - 5.8-8.9 H SER 99 - HB3 LEU 103 far 0 64 0 - 6.2-9.5 H LEU 123 - HB3 LEU 103 far 0 94 0 - 8.4-11.0 H LEU 123 - HB3 LEU 98 far 0 96 0 - 8.7-12.6 H LEU 43 - HB2 LEU 48 far 0 48 0 - 8.8-10.6 H VAL 126 - HB3 LEU 98 far 0 89 0 - 8.9-11.3 H LEU 96 - HB3 LEU 103 far 0 91 0 - 9.9-13.6 H LEU 123 - HB2 LEU 48 far 0 66 0 - 10.0-14.2 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 24 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-4.3 4.3=100 HA LEU 119 + HG LEU 122 OK 68 93 75 97 2.7-6.5 3764/3.0=58, 3762/4.6=33...(21) HA LEU 119 + HG LEU 119 OK 60 60 100 100 2.3-4.3 3.7=100 HA LEU 96 + HG LEU 122 OK 25 93 30 89 3.1-5.9 3901/2.1=23, 3868/3.0=19...(23) HB2 SER 74 - HG LEU 70 far 4 85 5 - 4.9-7.6 HA LEU 103 - HG LEU 119 far 2 42 5 - 4.8-10.0 HB3 SER 74 - HG LEU 70 far 0 77 0 - 5.8-8.4 HB THR 65 - HG LEU 122 far 0 71 0 - 6.5-9.5 HA LEU 103 - HG LEU 122 far 0 71 0 - 6.7-9.3 HB3 SER 124 - HG LEU 122 far 0 65 0 - 7.0-10.0 HA LEU 96 - HG LEU 70 far 0 88 0 - 7.2-8.7 HA LYS 95 - HG LEU 122 far 0 92 0 - 7.4-10.1 HA LEU 122 - HG LEU 70 far 0 97 0 - 8.3-10.5 HB THR 65 - HG LEU 70 far 0 65 0 - 8.4-11.8 HA LEU 122 - HG LEU 119 far 0 70 0 - 8.5-10.3 HA LYS 95 - HG LEU 70 far 0 86 0 - 8.8-10.9 HA SER 60 - HG LEU 119 far 0 33 0 - 8.9-11.8 HA GLU 102 - HG LEU 122 far 0 98 0 - 8.9-10.8 HA ALA 92 - HG LEU 122 far 0 92 0 - 9.1-12.2 HA GLU 102 - HG LEU 119 far 0 65 0 - 9.2-13.9 HA SER 60 - HG LEU 22 far 0 30 0 - 9.2-44.5 HB THR 65 - HG LEU 119 far 0 42 0 - 9.2-11.6 HA GLU 102 - HG LEU 70 far 0 94 0 - 9.8-13.6 HA SER 60 - HG LEU 122 far 0 57 0 - 9.9-12.2 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 25 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 65 89 75 97 1.9-6.2 3903/2.1=29, 3895/2.1=28...(34) HB3 ARG 23 + HG3 ARG 23 OK 41 41 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HG LEU 122 far 5 100 5 - 4.5-7.9 HG LEU 100 - HG LEU 70 far 4 83 5 - 4.3-7.6 HB3 LEU 103 - HG LEU 119 far 3 69 5 - 3.9-10.0 HB3 LYS 19 - HG3 ARG 23 far 3 62 5 - 3.6-12.6 HB3 LYS 24 - HG3 ARG 23 far 0 49 0 - 4.8-9.0 HB3 LYS 24 - HG LEU 22 far 0 41 0 - 4.9-8.8 HB3 LYS 31 - HG3 ARG 23 far 0 53 0 - 5.2-19.8 HB3 LYS 26 - HG3 ARG 23 far 0 47 0 - 5.4-12.7 HB3 LYS 31 - HG LEU 22 far 0 44 0 - 5.6-23.9 HB3 LEU 122 - HG LEU 119 far 0 70 0 - 5.7-9.1 HB3 ARG 23 - HG LEU 22 far 0 34 0 - 6.4-8.9 HB3 LEU 98 - HG LEU 122 far 0 99 0 - 6.5-10.1 HB3 LYS 19 - HG LEU 22 far 0 52 0 - 6.9-11.6 HG LEU 100 - HG LEU 119 far 0 55 0 - 6.9-12.0 HB3 LYS 26 - HG LEU 22 far 0 39 0 - 7.8-15.3 HB3 LEU 122 - HG LEU 70 far 0 97 0 - 7.9-11.3 HB3 LEU 98 - HG LEU 70 far 0 95 0 - 8.0-11.2 HB ILE 32 - HG3 ARG 23 far 0 55 0 - 8.1-23.7 HB ILE 32 - HG LEU 22 far 0 46 0 - 8.5-24.0 HB3 LEU 103 - HG LEU 70 far 0 97 0 - 8.7-13.6 HB3 LYS 24 - HG LEU 70 far 0 68 0 - 9.4-36.0 HB2 LEU 48 - HG LEU 122 far 0 97 0 - 9.9-15.4 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): 4 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 poor 19 42 45 - 1.9-7.3 QD2 LEU 49 - HG LEU 122 far 5 98 5 - 3.6-6.4 QD1 LEU 53 - HG LEU 122 far 5 95 5 - 3.3-8.9 QD1 LEU 103 - HG LEU 122 far 4 71 5 - 3.3-6.8 QD2 LEU 122 - HG LEU 119 far 3 51 5 - 3.8-8.6 QD1 LEU 122 - HG LEU 119 far 0 70 0 - 4.4-7.9 QD2 LEU 119 - HG LEU 122 far 0 89 0 - 4.6-8.5 QD2 LEU 122 - HG LEU 70 far 0 77 0 - 4.7-8.4 QD1 LEU 122 - HG LEU 70 far 0 97 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 61 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 94 0 - 5.5-9.0 QG1 VAL 63 - HG LEU 122 far 0 73 0 - 6.0-9.0 QD1 LEU 70 - HG LEU 122 far 0 99 0 - 6.2-9.8 QG1 VAL 63 - HG LEU 70 far 0 68 0 - 6.2-7.9 QG2 ILE 129 - HG LEU 70 far 0 81 0 - 6.9-9.2 QD2 LEU 49 - HG LEU 119 far 0 65 0 - 7.3-10.3 QD1 LEU 103 - HG LEU 70 far 0 65 0 - 7.9-11.0 QG2 ILE 129 - HG LEU 122 far 0 87 0 - 8.1-11.6 QG1 VAL 63 - HG LEU 119 far 0 44 0 - 8.3-10.9 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 8.5-15.1 QG1 VAL 63 - HG3 ARG 23 far 0 49 0 - 9.7-31.9 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 70 OK 78 89 90 97 3.8-5.2 2.1/11105=45, ~9488=35...(17) QD2 LEU 119 + HG LEU 119 OK 69 69 100 100 2.1-2.1 2.1=100 QD1 LEU 96 + HG LEU 122 OK 68 95 90 79 2.2-5.3 3100/4.3=18, 3873/3.0=13...(21) 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 43 68 75 83 1.9-7.3 11426/4.6=26...(19) QD1 LEU 103 + HG LEU 122 OK 31 100 45 70 3.3-6.8 ~3376=8, ~3376=8...(31) QD1 LEU 53 + HG LEU 122 OK 27 99 45 60 3.3-8.9 3907/3891=9, 3900/4.6=8...(16) QD2 LEU 49 - HG LEU 122 poor 12 97 40 30 3.6-6.4 11681/11677=5...(12) QD2 LEU 119 - HG LEU 122 poor 11 100 25 45 4.6-8.5 3790/3763=16...(9) QD2 LEU 122 - HG LEU 119 far 10 70 15 - 3.8-8.6 QD1 LEU 122 - HG LEU 119 far 8 51 15 - 4.4-7.9 QD2 LEU 122 - HG LEU 70 far 5 97 5 - 4.7-8.4 QD1 ILE 32 - HG LEU 22 far 3 50 5 - 4.7-18.4 QD1 LEU 122 - HG LEU 70 far 0 77 0 - 5.4-8.5 QD1 LEU 53 - HG LEU 119 far 0 67 0 - 5.4-9.2 QD2 LEU 49 - HG LEU 70 far 0 92 0 - 5.5-9.0 QD1 ILE 32 - HG3 ARG 23 far 0 60 0 - 5.9-18.0 QG1 VAL 63 - HG LEU 122 far 0 100 0 - 6.0-9.0 QD1 LEU 70 - HG LEU 122 far 0 68 0 - 6.2-9.8 QG1 VAL 63 - HG LEU 70 far 0 96 0 - 6.2-7.9 QD2 LEU 49 - HG LEU 119 far 0 63 0 - 7.3-10.3 QD1 LEU 103 - HG LEU 70 far 0 96 0 - 7.9-11.0 QG1 VAL 63 - HG LEU 119 far 0 69 0 - 8.3-10.9 QD1 LEU 53 - HG LEU 70 far 0 95 0 - 8.5-15.1 QD1 LEU 96 - HG LEU 119 far 0 61 0 - 8.6-10.9 QD1 ILE 37 - HG LEU 70 far 0 81 0 - 8.7-11.3 QD1 ILE 32 - HG LEU 70 far 0 81 0 - 9.3-19.4 QG1 VAL 63 - HG3 ARG 23 far 0 76 0 - 9.7-31.9 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 4 assignments used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.7-4.3 4.3=100 H GLN 127 + QD1 LEU 122 OK 61 97 70 91 4.7-8.0 7741/3899=32...(10) H LEU 122 - QD1 LEU 70 far 0 95 0 - 8.4-11.0 H GLN 127 - QD1 LEU 70 far 0 89 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3893 from aliabs.peaks (4.04, 0.81, 25.60 ppm; 3.91 A): 3 out of 24 assignments used, quality = 1.00: * HA LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.5-4.0 3.8=100 HA LEU 119 + QD1 LEU 122 OK 79 93 90 94 2.2-6.0 3764/3.1=46, 3762/4.3=28...(25) HA LEU 96 + QD1 LEU 122 OK 24 93 30 86 3.3-5.6 3868/3.1=15...(25) HB2 SER 74 - QD1 LEU 70 poor 15 82 55 33 2.4-6.3 3.9/11123=18...(3) HB3 SER 74 - QD1 LEU 70 poor 12 74 55 31 3.1-7.4 3.9/11123=18, 2341/11115=15 HB THR 65 - QD1 LEU 122 far 4 71 5 - 4.6-7.2 HA LEU 103 - QD1 LEU 122 far 0 71 0 - 5.1-8.5 HB3 SER 124 - QD1 LEU 122 far 0 65 0 - 6.1-9.0 HA LEU 96 - QD1 LEU 70 far 0 85 0 - 6.4-7.5 HA GLU 102 - QD1 LEU 122 far 0 98 0 - 6.6-10.1 HA LYS 95 - QD1 LEU 70 far 0 83 0 - 6.8-8.5 HA SER 60 - QD1 LEU 122 far 0 57 0 - 6.9-9.5 HA LYS 95 - QD1 LEU 122 far 0 92 0 - 7.2-9.2 HA LEU 122 - QD1 LEU 70 far 0 95 0 - 7.4-9.3 HA ALA 92 - QD1 LEU 70 far 0 83 0 - 7.7-10.0 HB THR 65 - QD1 LEU 70 far 0 62 0 - 8.1-10.8 HA GLU 102 - QD1 LEU 70 far 0 91 0 - 8.1-11.6 HA ALA 92 - QD1 LEU 122 far 0 92 0 - 8.3-10.7 HA LEU 103 - QD1 LEU 70 far 0 62 0 - 9.0-12.1 HB2 SER 74 - QD1 LEU 122 far 0 90 0 - 9.1-13.6 HB3 SER 74 - QD1 LEU 122 far 0 83 0 - 9.5-14.3 HA LEU 119 - QD1 LEU 70 far 0 85 0 - 9.6-13.4 HA SER 60 - QD1 LEU 70 far 0 50 0 - 9.7-13.6 HA ILE 37 - QD1 LEU 70 far 0 76 0 - 9.8-12.6 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 7 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD1 LEU 70 OK 94 94 100 100 2.1-2.1 2.1=100 HG LEU 119 - QD1 LEU 122 far 9 95 10 - 4.4-7.9 HG LEU 70 - QD1 LEU 122 far 0 100 0 - 5.4-8.5 HB2 LEU 122 - QD1 LEU 70 far 0 95 0 - 5.8-9.8 HG LEU 122 - QD1 LEU 70 far 0 94 0 - 6.2-9.8 Violated in 0 structures by 0.00 A. Peak 3895 from aliabs.peaks (1.79, 0.81, 25.60 ppm; 3.78 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 100 + QD1 LEU 122 OK 87 89 100 98 2.0-4.4 2.1/9487=37, 3887/2.1=29...(34) HB3 LEU 103 - QD1 LEU 122 poor 15 100 25 61 3.4-7.1 ~3376=12, ~3376=12...(25) HG LEU 100 - QD1 LEU 70 far 8 80 10 - 3.5-6.8 HB3 LEU 98 - QD1 LEU 122 far 0 99 0 - 5.7-9.3 HB3 LEU 122 - QD1 LEU 70 far 0 95 0 - 6.5-10.4 HB3 LEU 103 - QD1 LEU 70 far 0 94 0 - 6.6-10.7 HB3 LEU 98 - QD1 LEU 70 far 0 92 0 - 6.9-8.8 HB2 LEU 48 - QD1 LEU 122 far 0 97 0 - 6.9-11.7 HB3 LYS 24 - QD1 LEU 70 far 0 65 0 - 8.2-30.8 HB3 LYS 19 - QD1 LEU 70 far 0 80 0 - 9.9-26.3 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 9 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 2.0-3.2 3.1=98, 3.0/3893=26...(23) 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 9 65 35 38 3.0-6.5 3376/2.1=7, 1.8/3895=4...(19) HG LEU 119 - QD1 LEU 122 far 0 89 0 - 4.4-7.9 HG LEU 70 - QD1 LEU 122 far 0 99 0 - 5.4-8.5 HB2 LEU 122 - QD1 LEU 70 far 0 94 0 - 5.8-9.8 HG LEU 122 - QD1 LEU 70 far 0 95 0 - 6.2-9.8 HB2 LEU 103 - QD1 LEU 70 far 0 58 0 - 7.2-10.6 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): 4 out of 9 assignments used, quality = 1.00: * H LEU 123 + QD1 LEU 122 OK 100 100 100 100 1.9-4.8 7744/3.1=60, 3.6/3893=50...(25) H VAL 126 + QD1 LEU 122 OK 66 96 70 99 3.4-6.2 10405/3.1=47...(22) H SER 99 + QD1 LEU 122 OK 36 73 50 98 3.9-6.6 3.7/11702=33, ~10026=32...(24) H LEU 96 + QD1 LEU 70 OK 23 92 25 99 5.2-6.9 11083/2.1=92...(14) H LEU 96 - QD1 LEU 122 far 10 99 10 - 5.3-7.6 H SER 99 - QD1 LEU 70 far 0 65 0 - 6.4-7.7 H VAL 126 - QD1 LEU 70 far 0 88 0 - 8.0-9.9 H LEU 123 - QD1 LEU 70 far 0 95 0 - 9.3-12.1 H ASP 131 - QD1 LEU 122 far 0 100 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3901 from aliabs.peaks (4.04, 0.79, 25.94 ppm; 3.49 A): 3 out of 20 assignments used, quality = 0.99: * HA LEU 122 + QD2 LEU 122 OK 97 100 100 97 1.8-4.1 3.9=69, 3860/2.1=30...(29) HA LEU 96 + QD2 LEU 122 OK 49 93 65 81 2.2-5.2 3.0/10337=16...(23) HA LEU 119 + QD2 LEU 122 OK 28 93 35 85 2.4-5.9 3764/3.1=37, 3759/2.1=19...(21) HA LEU 119 - QD1 LEU 53 poor 20 73 30 89 3.5-7.4 11845/2.1=54...(21) HA LEU 122 - QD1 LEU 53 far 8 84 10 - 4.1-8.5 HA LEU 103 - QD2 LEU 122 far 0 71 0 - 4.7-8.6 HB THR 65 - QD1 LEU 53 far 0 53 0 - 4.7-9.0 HB THR 65 - QD2 LEU 122 far 0 71 0 - 5.1-7.8 HB3 SER 124 - QD1 LEU 53 far 0 48 0 - 5.3-7.9 HA LYS 95 - QD2 LEU 122 far 0 92 0 - 5.7-8.5 HA GLU 102 - QD2 LEU 122 far 0 98 0 - 6.5-10.6 HB3 SER 124 - QD2 LEU 122 far 0 65 0 - 6.5-8.3 HA LEU 96 - QD1 LEU 53 far 0 73 0 - 6.7-10.8 HA ALA 92 - QD2 LEU 122 far 0 92 0 - 7.5-10.8 HA SER 60 - QD2 LEU 122 far 0 57 0 - 7.5-10.6 HA LEU 103 - QD1 LEU 53 far 0 53 0 - 8.4-13.8 HA SER 60 - QD1 LEU 53 far 0 42 0 - 8.7-14.1 HB2 SER 74 - QD2 LEU 122 far 0 90 0 - 9.5-12.9 HA GLU 44 - QD1 LEU 53 far 0 84 0 - 9.7-12.8 HA ALA 92 - QD1 LEU 53 far 0 72 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 3902 from aliabs.peaks (1.61, 0.79, 25.94 ppm; 3.61 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.0-3.2 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 20 84 40 60 2.0-8.5 4.3/3907=18, ~11749=10...(18) HG LEU 122 - QD1 LEU 53 poor 11 83 25 51 3.3-8.9 3891/3907=7, 4.6/3900=7...(16) HG LEU 119 - QD2 LEU 122 far 9 95 10 - 3.8-8.6 HG LEU 70 - QD2 LEU 122 far 0 100 0 - 4.7-8.4 HG LEU 119 - QD1 LEU 53 far 0 75 0 - 5.4-9.2 HG LEU 70 - QD1 LEU 53 far 0 83 0 - 8.5-15.1 Violated in 0 structures by 0.00 A. Peak 3903 from aliabs.peaks (1.79, 0.79, 25.94 ppm; 3.43 A): 2 out of 10 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 1.8-4.0 2.1/11387=27...(34) HB3 LEU 103 - QD2 LEU 122 poor 20 100 30 65 3.4-7.1 1.8/3376=16...(26) HB3 LEU 122 - QD1 LEU 53 poor 16 84 35 53 2.9-9.2 4.3/3907=16, ~11749=9...(15) HB3 LEU 98 - QD2 LEU 122 far 0 99 0 - 5.0-7.8 HG LEU 100 - QD1 LEU 53 far 0 69 0 - 5.5-11.2 HB2 LEU 48 - QD1 LEU 53 far 0 77 0 - 6.2-10.2 HB2 LEU 48 - QD2 LEU 122 far 0 97 0 - 7.3-13.0 HB3 LEU 103 - QD1 LEU 53 far 0 83 0 - 7.4-12.6 HB3 LEU 98 - QD1 LEU 53 far 0 81 0 - 9.7-14.5 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 2.0-3.2 3.1=100 HB2 LEU 103 + QD2 LEU 122 OK 25 65 60 65 2.6-6.6 3376=13, 10066/10068=8...(27) HB2 LEU 122 - QD1 LEU 53 poor 20 83 40 60 2.0-8.5 4.3/3907=18, ~11749=10...(18) HG LEU 122 - QD1 LEU 53 poor 11 84 25 51 3.3-8.9 3891/3907=7, 4.6/3900=7...(16) HG LEU 119 - QD2 LEU 122 far 9 89 10 - 3.8-8.6 HG LEU 70 - QD2 LEU 122 far 0 99 0 - 4.7-8.4 HG LEU 119 - QD1 LEU 53 far 0 69 0 - 5.4-9.2 HB2 LEU 103 - QD1 LEU 53 far 0 48 0 - 7.2-12.1 HG LEU 70 - QD1 LEU 53 far 0 81 0 - 8.5-15.1 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 96 96 100 100 3.3-4.3 4.0/10393=80...(14) H LEU 123 - HA LEU 62 far 0 59 0 - 8.0-9.2 H LEU 96 - HA LEU 123 far 0 99 0 - 8.7-10.1 H SER 99 - HA LEU 123 far 0 73 0 - 8.9-10.9 H VAL 126 - HA LEU 62 far 0 52 0 - 9.9-10.8 H ASP 131 - HA LEU 123 far 0 100 0 - 10.0-10.6 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 9 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 2.6-3.4 3.7=100 HG LEU 119 - HA LEU 62 far 0 32 0 - 6.7-8.8 HB2 LEU 69 - HA LEU 123 far 0 100 0 - 8.0-9.9 HG LEU 62 - HA LEU 123 far 0 100 0 - 8.3-9.9 HG LEU 119 - HA LEU 123 far 0 65 0 - 8.3-10.0 HB2 LEU 69 - HA LEU 62 far 0 59 0 - 8.5-10.9 HB2 LEU 123 - HA LEU 62 far 0 59 0 - 8.6-11.1 HD2 LYS 26 - HA LEU 62 far 0 54 0 - 9.5-41.5 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 2.2-2.6 3.0=100 HB3 LEU 119 - HA LEU 123 far 0 99 0 - 6.2-8.8 HB3 LEU 48 - HA LEU 62 far 0 50 0 - 6.4-9.8 HB3 LEU 119 - HA LEU 62 far 0 57 0 - 6.6-9.4 HB3 LEU 123 - HA LEU 62 far 0 59 0 - 7.0-9.6 HB3 LEU 48 - HA LEU 123 far 0 93 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 3912 from aliabs.peaks (1.57, 3.85, 58.17 ppm; 4.50 A): 3 out of 10 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 100 100 3.4-3.7 3.7=100 HG LEU 49 + HA LEU 62 OK 29 57 60 84 4.1-7.2 11025/10993=57...(7) HG LEU 49 + HA LEU 123 OK 22 99 25 89 3.6-7.5 11615/10393=69...(17) HB2 LEU 119 - HA LEU 62 far 0 41 0 - 5.5-8.5 HG LEU 103 - HA LEU 62 far 0 57 0 - 5.5-8.3 HB2 LEU 119 - HA LEU 123 far 0 81 0 - 6.5-7.8 HB2 LEU 103 - HA LEU 62 far 0 53 0 - 7.5-9.5 HG LEU 123 - HA LEU 62 far 0 59 0 - 8.1-11.6 HB2 LEU 103 - HA LEU 123 far 0 97 0 - 8.8-11.7 HG LEU 103 - HA LEU 123 far 0 99 0 - 8.9-13.3 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 1.8-4.0 3.9=100 QG2 VAL 57 + HA LEU 62 OK 22 35 70 91 4.3-5.7 9305=42, 9319/3.9=34...(10) QG2 VAL 63 - HA LEU 62 poor 13 30 45 - 4.7-5.3 QD1 LEU 48 - HA LEU 62 far 0 32 0 - 5.0-8.0 QD2 LEU 48 - HA LEU 62 far 0 51 0 - 5.4-6.8 QD2 LEU 69 - HA LEU 123 far 0 90 0 - 5.5-7.5 QD2 LEU 69 - HA LEU 62 far 0 48 0 - 5.7-8.5 QG1 VAL 118 - HA LEU 62 far 0 53 0 - 5.7-8.1 QD2 LEU 123 - HA LEU 62 far 0 59 0 - 6.0-9.4 QG1 VAL 118 - HA LEU 123 far 0 97 0 - 6.3-7.7 QD2 LEU 70 - HA LEU 123 far 0 71 0 - 7.5-10.1 QD1 LEU 48 - HA LEU 123 far 0 65 0 - 7.8-10.8 QD2 LEU 70 - HA LEU 62 far 0 35 0 - 8.0-9.8 QD2 LEU 48 - HA LEU 123 far 0 95 0 - 8.1-9.8 QG2 VAL 57 - HA LEU 123 far 0 71 0 - 8.1-9.3 QG2 VAL 63 - HA LEU 123 far 0 63 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 3914 from aliabs.peaks (0.93, 3.85, 58.17 ppm; 3.72 A): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 123 + HA LEU 123 OK 100 100 100 100 2.0-3.5 4.0=78, 3954/3.0=66...(23) QD1 LEU 62 + HA LEU 62 OK 52 52 100 99 3.7-4.0 4.1=75, 2.1/1998=69...(11) QD1 LEU 49 + HA LEU 123 OK 23 95 50 50 2.3-6.0 2.1/9206=16, 9209=15...(10) QD1 LEU 49 - HA LEU 62 far 5 51 10 - 3.0-6.6 QG2 VAL 63 - HA LEU 62 far 0 49 0 - 4.7-5.3 QD1 LEU 48 - HA LEU 62 far 0 48 0 - 5.0-8.0 QG1 VAL 57 - HA LEU 62 far 0 46 0 - 5.5-6.9 QD1 LEU 62 - HA LEU 123 far 0 96 0 - 5.6-8.4 QD1 LEU 119 - HA LEU 62 far 0 51 0 - 6.1-8.2 QD1 LEU 119 - HA LEU 123 far 0 95 0 - 7.7-9.1 QD1 LEU 48 - HA LEU 123 far 0 90 0 - 7.8-10.8 QD1 LEU 123 - HA LEU 62 far 0 59 0 - 8.0-9.7 QG2 VAL 63 - HA LEU 123 far 0 92 0 - 9.0-10.9 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 3.3-4.3 4.0/10393=84...(16) 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 8 81 10 - 5.8-8.2 H LEU 49 - HA LEU 62 far 6 41 15 - 5.9-8.2 H LEU 123 - HA LEU 62 far 0 52 0 - 8.0-9.2 H LEU 69 - HA LEU 62 far 0 44 0 - 8.0-9.4 H LEU 96 - HA LEU 123 far 0 100 0 - 8.7-10.1 H SER 99 - HA LEU 123 far 0 96 0 - 8.9-10.9 H LEU 69 - HA LEU 123 far 0 85 0 - 9.5-11.0 H VAL 126 - HA LEU 62 far 0 59 0 - 9.9-10.8 H ASP 131 - HA LEU 123 far 0 99 0 - 10.0-10.6 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 = 1.00: * HB VAL 126 + HA LEU 123 OK 100 100 100 100 2.6-3.8 4008=100, 2.1/10393=92...(11) HB3 GLN 61 + HA LEU 62 OK 48 56 100 85 3.9-4.6 ~6787=27, 9378/9305=23...(10) HB VAL 57 - HA LEU 62 far 4 44 10 - 5.1-6.5 HB2 GLN 61 - HA LEU 62 far 3 53 5 - 4.2-5.7 HB2 GLU 128 - HA LEU 123 far 0 63 0 - 7.3-9.3 HB VAL 126 - HA LEU 62 far 0 59 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 3918 from aliabs.peaks (4.42, 1.65, 41.13 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + HB2 LEU 123 OK 100 100 100 100 1.9-3.6 3813=100, 3927/1.8=75...(20) HA THR 54 - HB2 LEU 123 far 0 100 0 - 6.3-10.7 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 - 5.7-8.1 HB3 SER 50 - HB2 LEU 123 far 0 63 0 - 6.7-9.1 HA LEU 62 - HB2 LEU 123 far 0 90 0 - 8.6-11.1 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 - 5.0-7.7 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 5 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 LEU 119 - HB2 LEU 123 poor 16 81 20 - 5.3-7.6 HG LEU 49 - HB2 LEU 123 far 0 99 0 - 6.3-10.3 HG LEU 103 - HB2 LEU 123 far 0 99 0 - 8.5-13.7 HB2 LEU 103 - HB2 LEU 123 far 0 97 0 - 9.1-12.4 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 8 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.2-3.2 3.2=100 QG1 VAL 118 - HB2 LEU 123 far 0 97 0 - 6.2-8.0 QD2 LEU 69 - HB2 LEU 123 far 0 90 0 - 7.9-9.9 QG2 VAL 57 - HB2 LEU 123 far 0 71 0 - 8.0-10.1 QD2 LEU 70 - HB2 LEU 123 far 0 71 0 - 9.5-11.8 QD2 LEU 48 - HB2 LEU 123 far 0 95 0 - 9.5-11.4 QG2 VAL 63 - HB2 LEU 123 far 0 63 0 - 9.7-12.3 QD1 LEU 48 - HB2 LEU 123 far 0 65 0 - 10.0-12.8 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 2.1-3.2 3.2=100 QD1 LEU 49 - HB2 LEU 123 far 9 95 10 - 4.3-8.5 QD1 LEU 62 - HB2 LEU 123 far 0 96 0 - 5.5-7.9 QD1 LEU 119 - HB2 LEU 123 far 0 95 0 - 6.4-8.4 QG2 VAL 63 - HB2 LEU 123 far 0 92 0 - 9.7-12.3 QD1 LEU 48 - HB2 LEU 123 far 0 90 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 3927 from aliabs.peaks (4.42, 1.88, 41.13 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + HB3 LEU 123 OK 100 100 100 100 2.3-4.6 3813/1.8=85...(20) HA THR 54 - HB3 LEU 123 far 0 100 0 - 5.9-10.5 Violated in 1 structures by 0.01 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 2.2-2.6 3.0=100 HB2 SER 50 - HB3 LEU 123 far 3 65 5 - 4.4-7.4 HB3 SER 50 - HB3 LEU 123 far 0 63 0 - 5.4-8.4 HA LEU 62 - HB3 LEU 123 far 0 90 0 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 3930 from aliabs.peaks (1.65, 1.88, 41.13 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 123 + HB3 LEU 123 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 119 - HB3 LEU 123 far 0 65 0 - 6.5-8.9 HG LEU 62 - HB3 LEU 123 far 0 100 0 - 7.0-9.4 HB2 LEU 69 - HB3 LEU 123 far 0 100 0 - 9.9-12.3 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 5 assignments used, quality = 1.00: * HG LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 49 - HB3 LEU 123 far 10 99 10 - 4.9-9.1 HB2 LEU 119 - HB3 LEU 123 poor 5 81 25 25 4.8-6.4 2.9/3757=16, 3768=5...(4) HG LEU 103 - HB3 LEU 123 far 0 99 0 - 8.5-12.5 HB2 LEU 103 - HB3 LEU 123 far 0 97 0 - 8.5-11.6 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 2.0-2.8 3.2=100 QG1 VAL 118 - HB3 LEU 123 far 0 97 0 - 5.9-7.4 QG2 VAL 57 - HB3 LEU 123 far 0 71 0 - 6.8-8.7 QD2 LEU 69 - HB3 LEU 123 far 0 90 0 - 7.2-9.5 QD2 LEU 48 - HB3 LEU 123 far 0 95 0 - 8.2-10.6 QD1 LEU 48 - HB3 LEU 123 far 0 65 0 - 8.7-12.1 QG2 VAL 63 - HB3 LEU 123 far 0 63 0 - 8.8-11.0 QD2 LEU 70 - HB3 LEU 123 far 0 71 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 3934 from aliabs.peaks (0.93, 1.88, 41.13 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.4-3.2 3.2=100 QD1 LEU 49 + HB3 LEU 123 OK 21 95 35 63 3.1-7.9 9209/3.0=12, ~9206=11...(21) QD1 LEU 62 - HB3 LEU 123 far 10 96 10 - 4.4-7.6 QD1 LEU 119 - HB3 LEU 123 far 0 95 0 - 6.2-7.7 QD1 LEU 48 - HB3 LEU 123 far 0 90 0 - 8.7-12.1 QG2 VAL 63 - HB3 LEU 123 far 0 92 0 - 8.8-11.0 QG1 VAL 57 - HB3 LEU 123 far 0 89 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 3937 from aliabs.peaks (3.85, 1.57, 26.88 ppm; 4.54 A): 5 out of 12 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 100 100 3.4-3.7 3.7=100 HA LEU 62 + HG LEU 49 OK 47 86 60 91 4.1-7.2 10993/11025=57...(8) HB2 SER 50 + HG LEU 123 OK 26 65 40 99 4.1-7.0 ~11772=51, ~11636=49...(18) HA LEU 123 + HG LEU 49 OK 22 98 25 91 3.6-7.5 10393/11615=70...(17) HB2 SER 50 + HG LEU 49 OK 20 61 35 94 4.5-8.0 ~11338=39, 3.9/6620=39...(20) HB3 SER 50 - HG LEU 49 poor 16 59 35 80 3.9-7.5 3.9/6620=39, 9209/2.1=15...(17) HB3 SER 50 - HG LEU 123 far 9 63 15 - 4.5-8.3 HA LEU 62 - HG LEU 103 far 0 83 0 - 5.5-8.3 HA LEU 62 - HG LEU 123 far 0 90 0 - 8.1-11.6 HD2 PRO 117 - HG LEU 103 far 0 95 0 - 8.3-11.7 HA LEU 123 - HG LEU 103 far 0 96 0 - 8.9-13.3 HA LEU 70 - HG LEU 49 far 0 54 0 - 9.1-11.4 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 23 assignments used, quality = 1.00: * HB2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 ARG 23 + HG2 ARG 23 OK 57 57 100 100 1.8-1.8 1.8=100 HD2 LYS 24 - HG2 ARG 23 poor 16 92 35 50 3.8-9.1 5.9/6215=38, 854/6205=4...(7) HB2 LEU 69 - HG LEU 49 far 15 98 15 - 4.8-7.7 HD3 LYS 24 - HG2 ARG 23 poor 12 98 25 50 2.7-9.0 5.9/6215=38, 843/6205=4...(7) HG LEU 119 - HG LEU 103 poor 12 59 35 57 3.9-9.8 2.1/3791=18, ~3409=12...(12) HD2 LYS 31 - HG2 ARG 23 far 5 97 5 - 4.9-22.1 HG LEU 62 - HG LEU 103 far 5 95 5 - 5.1-8.1 HD3 LYS 31 - HG2 ARG 23 far 5 95 5 - 4.0-22.5 HD2 LYS 26 - HG2 ARG 23 far 5 94 5 - 5.6-13.6 HD3 LYS 26 - HG2 ARG 23 far 0 91 0 - 5.8-13.5 HG LEU 22 - HG2 ARG 23 far 0 59 0 - 6.1-9.3 HB2 LEU 123 - HG LEU 49 far 0 98 0 - 6.3-10.3 HG LEU 62 - HG LEU 49 far 0 97 0 - 6.4-9.7 HG LEU 62 - HG LEU 123 far 0 100 0 - 7.9-11.8 HG LEU 119 - HG LEU 123 far 0 65 0 - 7.9-10.2 HD2 LYS 19 - HG2 ARG 23 far 0 98 0 - 8.1-13.4 HB2 LEU 123 - HG LEU 103 far 0 96 0 - 8.5-13.7 HD3 LYS 19 - HG2 ARG 23 far 0 98 0 - 8.6-13.3 HB2 LEU 98 - HG LEU 103 far 0 96 0 - 8.7-12.6 HD2 LYS 26 - HG LEU 49 far 0 94 0 - 9.9-40.1 HD3 LYS 26 - HG LEU 49 far 0 91 0 - 10.0-39.1 HG LEU 119 - HG LEU 49 far 0 61 0 - 10.0-13.0 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 8 assignments used, quality = 1.00: * HB3 LEU 123 + HG LEU 123 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 48 + HG LEU 49 OK 50 89 65 87 2.9-8.2 4.6/6606=31, 3.1/9205=31...(17) HB3 LEU 123 - HG LEU 49 far 0 98 0 - 4.9-9.1 HB3 LEU 119 - HG LEU 123 far 0 99 0 - 6.1-8.2 HB3 LEU 119 - HG LEU 103 far 0 94 0 - 6.3-9.5 HB3 LEU 123 - HG LEU 103 far 0 96 0 - 8.5-12.5 HB3 LEU 119 - HG LEU 49 far 0 96 0 - 8.5-12.3 HB3 LEU 48 - HG LEU 123 far 0 93 0 - 9.3-14.0 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): 5 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 QG1 VAL 118 + HG LEU 103 OK 48 91 55 97 2.1-4.2 10261=28, ~10265=27...(25) QG2 VAL 63 + HG LEU 103 OK 46 57 95 87 1.9-4.0 11722/2.1=17, ~11832=15...(29) QD2 LEU 69 + HG LEU 49 OK 43 86 60 83 2.9-4.4 11061/2.1=25...(18) QG2 VAL 20 + HG2 ARG 23 OK 22 93 35 66 2.8-6.6 11844/3.0=16...(16) QD1 LEU 22 - HG2 ARG 23 far 10 97 10 - 3.3-8.4 QD2 LEU 123 - HG LEU 49 far 5 98 5 - 3.8-8.3 QD2 LEU 48 - HG LEU 49 far 0 91 0 - 4.0-5.5 QD1 LEU 48 - HG LEU 49 far 0 61 0 - 4.0-6.0 QG1 VAL 20 - HG2 ARG 23 far 0 64 0 - 4.2-8.3 QD2 LEU 70 - HG LEU 49 far 0 67 0 - 6.8-9.3 QG2 VAL 57 - HG LEU 49 far 0 67 0 - 6.8-8.5 QG2 VAL 57 - HG LEU 103 far 0 64 0 - 6.9-9.8 QD2 LEU 70 - HG LEU 103 far 0 64 0 - 7.0-10.6 QG2 VAL 57 - HG LEU 123 far 0 71 0 - 7.1-10.3 QG2 VAL 63 - HG LEU 49 far 0 59 0 - 7.3-10.3 QG1 VAL 118 - HG LEU 49 far 0 93 0 - 7.3-10.4 QD2 LEU 48 - HG LEU 123 far 0 95 0 - 7.8-11.3 QG1 VAL 118 - HG LEU 123 far 0 97 0 - 7.8-8.9 QD2 LEU 69 - HG LEU 123 far 0 90 0 - 8.0-10.4 QD1 LEU 98 - HG LEU 103 far 0 69 0 - 8.2-12.2 QD2 LEU 69 - HG LEU 103 far 0 83 0 - 8.6-12.1 QD2 LEU 123 - HG LEU 103 far 0 96 0 - 8.7-12.5 QD1 LEU 48 - HG LEU 123 far 0 65 0 - 8.8-12.6 QD2 LEU 98 - HG LEU 103 far 0 96 0 - 9.4-12.4 QD1 LEU 48 - HG2 ARG 23 far 0 62 0 - 9.8-30.3 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 23 assignments used, quality = 1.00: * QD1 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 49 + HG LEU 49 OK 91 91 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 103 OK 83 85 100 97 1.9-4.0 11722/2.1=25, 1584=24...(31) QD1 LEU 123 - HG LEU 49 far 10 98 10 - 4.1-8.0 QD1 LEU 49 - HG LEU 123 far 9 95 10 - 4.1-8.8 QD1 LEU 48 - HG LEU 49 far 9 86 10 - 4.0-6.0 QD1 LEU 62 - HG LEU 103 far 4 89 5 - 2.8-6.1 QG1 VAL 20 - HG2 ARG 23 far 4 85 5 - 4.2-8.3 QD1 LEU 119 - HG LEU 103 far 0 88 0 - 5.0-7.8 QD1 LEU 62 - HG LEU 123 far 0 96 0 - 5.4-9.9 QD1 LEU 62 - HG LEU 49 far 0 92 0 - 5.5-8.7 QG1 VAL 105 - HG LEU 103 far 0 57 0 - 5.6-8.6 QD1 LEU 49 - HG LEU 103 far 0 88 0 - 6.5-11.4 QD1 LEU 119 - HG LEU 123 far 0 95 0 - 7.1-8.9 QG2 VAL 63 - HG LEU 49 far 0 88 0 - 7.3-10.3 QG2 VAL 112 - HG LEU 103 far 0 96 0 - 7.4-11.0 QG1 VAL 57 - HG LEU 49 far 0 84 0 - 7.9-9.7 QD1 LEU 119 - HG LEU 49 far 0 91 0 - 8.2-11.4 QD1 LEU 48 - HG LEU 123 far 0 90 0 - 8.8-12.6 QG1 VAL 57 - HG LEU 103 far 0 82 0 - 8.9-11.5 QG1 VAL 57 - HG LEU 123 far 0 89 0 - 9.1-12.4 QD1 LEU 123 - HG LEU 103 far 0 96 0 - 9.5-13.3 QD1 LEU 48 - HG2 ARG 23 far 0 87 0 - 9.8-30.3 Violated in 0 structures by 0.00 A. Peak 3944 from aliabs.peaks (8.27, 0.88, 25.15 ppm; 4.68 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 123 + QD2 LEU 123 OK 100 100 100 100 3.5-4.2 4.8=94, 3952/2.1=90...(18) H VAL 126 + QD2 LEU 123 OK 47 96 55 89 3.9-6.7 7772/7766=50...(10) H ASP 131 - QD2 LEU 123 far 0 100 0 - 7.9-10.9 H LEU 96 - QD2 LEU 123 far 0 99 0 - 8.9-11.6 H SER 99 - QD2 LEU 123 far 0 73 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3945 from aliabs.peaks (3.85, 0.88, 25.15 ppm; 3.55 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 123 + QD2 LEU 123 OK 100 100 100 100 1.8-4.0 3.9=74, 3.0/3947=61...(25) HB2 SER 50 + QD2 LEU 123 OK 44 65 70 95 1.9-5.5 3.0/11636=54, ~11772=30...(19) HB3 SER 50 + QD2 LEU 123 OK 33 63 55 97 2.8-6.5 3.0/11636=54, ~11772=30...(22) HA LEU 62 - QD2 LEU 123 far 0 90 0 - 6.0-9.4 HA LEU 70 - QD2 LEU 123 far 0 57 0 - 10.0-14.3 Violated in 7 structures by 0.06 A. Peak 3946 from aliabs.peaks (1.65, 0.88, 25.15 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.2-3.2 3.2=100 HG LEU 119 - QD2 LEU 123 far 0 65 0 - 5.4-8.6 HG LEU 62 - QD2 LEU 123 far 0 100 0 - 6.3-9.1 HB2 LEU 69 - QD2 LEU 123 far 0 100 0 - 7.5-11.5 Violated in 0 structures by 0.00 A. Peak 3947 from aliabs.peaks (1.88, 0.88, 25.15 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.0-2.8 3.2=98, ~3954=37...(17) HB3 LEU 119 - QD2 LEU 123 far 5 99 5 - 3.8-7.4 HB3 LEU 48 - QD2 LEU 123 far 0 93 0 - 6.1-11.0 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 5 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 49 - QD2 LEU 123 far 0 99 0 - 3.8-8.3 HB2 LEU 119 - QD2 LEU 123 far 0 81 0 - 4.9-6.7 HB2 LEU 103 - QD2 LEU 123 far 0 97 0 - 8.7-11.4 HG LEU 103 - QD2 LEU 123 far 0 99 0 - 8.7-12.5 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 49 - QD2 LEU 123 lone 2 95 25 10 1.7-7.2 3934/3947=4, 9209/3.9=4...(4) QD1 LEU 62 - QD2 LEU 123 far 0 96 0 - 4.6-7.5 QD1 LEU 119 - QD2 LEU 123 far 0 95 0 - 5.6-7.9 QD1 LEU 48 - QD2 LEU 123 far 0 90 0 - 6.1-10.0 QG1 VAL 57 - QD2 LEU 123 far 0 89 0 - 7.1-9.4 QG2 VAL 63 - QD2 LEU 123 far 0 92 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 3953 from aliabs.peaks (3.85, 0.93, 23.87 ppm; 3.07 A): 2 out of 10 assignments used, quality = 0.99: * HA LEU 123 + QD1 LEU 123 OK 99 100 100 99 2.0-3.5 3.0/3954=46, 4.0=44...(22) HB2 SER 50 + QD1 LEU 123 OK 47 65 80 91 2.1-4.4 3.0/11772=45...(20) HB3 SER 50 - QD1 LEU 123 poor 13 63 20 - 3.5-5.7 HA LEU 62 - QD1 LEU 48 far 0 42 0 - 5.0-8.0 HB3 SER 50 - QD1 LEU 48 far 0 26 0 - 5.5-8.9 HB2 SER 50 - QD1 LEU 48 far 0 28 0 - 6.5-9.1 HA LEU 123 - QD1 LEU 48 far 0 52 0 - 7.8-10.8 HA LEU 62 - QD1 LEU 123 far 0 90 0 - 8.0-9.7 HA GLU 40 - QD1 LEU 48 far 0 36 0 - 8.7-11.4 HA LEU 70 - QD1 LEU 48 far 0 24 0 - 9.9-12.0 Violated in 5 structures by 0.03 A. Peak 3954 from aliabs.peaks (1.65, 0.93, 23.87 ppm; 3.35 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.1-3.2 3.2=100 HD3 LYS 26 - QD1 LEU 48 far 0 45 0 - 4.9-30.4 HD2 LYS 26 - QD1 LEU 48 far 0 48 0 - 5.8-31.2 HB2 LEU 69 - QD1 LEU 48 far 0 52 0 - 6.2-9.0 HG LEU 62 - QD1 LEU 48 far 0 51 0 - 6.8-9.7 HG LEU 119 - QD1 LEU 123 far 0 65 0 - 7.9-9.8 HD3 LYS 24 - QD1 LEU 48 far 0 51 0 - 8.3-29.2 HG LEU 62 - QD1 LEU 123 far 0 100 0 - 8.3-10.1 HB2 LEU 69 - QD1 LEU 123 far 0 100 0 - 8.5-10.7 HG LEU 43 - QD1 LEU 48 far 0 51 0 - 8.6-11.1 HD2 LYS 24 - QD1 LEU 48 far 0 46 0 - 8.9-30.4 HG LEU 22 - QD1 LEU 48 far 0 26 0 - 9.3-32.8 HD2 LYS 36 - QD1 LEU 48 far 0 45 0 - 9.4-13.8 HD3 LYS 36 - QD1 LEU 48 far 0 46 0 - 9.7-12.9 HB2 LEU 123 - QD1 LEU 48 far 0 52 0 - 10.0-12.8 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 7 assignments used, quality = 1.00: * HB3 LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.4-3.2 3.2=100 HB3 LEU 48 + QD1 LEU 48 OK 44 44 100 100 2.1-3.2 3.1=100 HB3 LEU 119 - QD1 LEU 123 far 0 99 0 - 6.2-8.5 HB3 LEU 48 - QD1 LEU 123 far 0 93 0 - 8.0-10.6 HB3 LYS 36 - QD1 LEU 48 far 0 51 0 - 8.1-15.5 HB3 LEU 123 - QD1 LEU 48 far 0 52 0 - 8.7-12.1 HB2 GLU 40 - QD1 LEU 48 far 0 38 0 - 9.1-11.7 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 10 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 - 4.0-6.0 HG LEU 49 - QD1 LEU 123 far 0 99 0 - 4.1-8.0 HB2 LEU 119 - QD1 LEU 123 far 0 81 0 - 6.4-7.8 HB3 LEU 42 - QD1 LEU 48 far 0 34 0 - 8.6-11.0 HG LEU 123 - QD1 LEU 48 far 0 52 0 - 8.8-12.6 HB2 LEU 119 - QD1 LEU 48 far 0 36 0 - 9.3-13.5 HG LEU 103 - QD1 LEU 123 far 0 99 0 - 9.5-13.3 HB2 LEU 22 - QD1 LEU 48 far 0 34 0 - 9.8-31.0 HG2 ARG 23 - QD1 LEU 48 far 0 52 0 - 9.8-30.3 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 16 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 1.9-2.1 2.1=100 QD2 LEU 69 - QD1 LEU 48 far 2 42 5 - 3.4-6.9 QG2 VAL 57 - QD1 LEU 48 far 0 30 0 - 5.9-8.0 QD2 LEU 123 - QD1 LEU 48 far 0 52 0 - 6.1-10.0 QD1 LEU 22 - QD1 LEU 48 far 0 51 0 - 6.4-28.0 QD2 LEU 69 - QD1 LEU 123 far 0 90 0 - 6.4-8.0 QG1 VAL 118 - QD1 LEU 123 far 0 97 0 - 7.0-8.4 QD1 LEU 48 - QD1 LEU 123 far 0 65 0 - 7.0-10.4 QG2 VAL 57 - QD1 LEU 123 far 0 71 0 - 7.1-8.4 QD2 LEU 48 - QD1 LEU 123 far 0 95 0 - 7.3-9.2 QG2 VAL 63 - QD1 LEU 48 far 0 26 0 - 7.8-10.1 QD2 LEU 70 - QD1 LEU 48 far 0 30 0 - 7.8-10.7 QD2 LEU 70 - QD1 LEU 123 far 0 71 0 - 8.3-10.2 QG2 VAL 63 - QD1 LEU 123 far 0 63 0 - 9.3-11.4 QG1 VAL 118 - QD1 LEU 48 far 0 47 0 - 9.8-12.2 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 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3961 from aliabs.peaks (4.24, 4.24, 61.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 124 + HA SER 124 OK 100 100 - 100 HA SER 94 + HA SER 94 OK 92 92 - 100 Peak 3962 from aliabs.peaks (3.99, 4.24, 61.34 ppm; 3.55 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 124 + HA SER 124 OK 100 100 100 100 2.6-3.0 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 2.3-2.8 3.0=100 HA GLN 127 - HA SER 124 far 0 81 0 - 5.1-5.9 HA GLU 91 - HA SER 94 far 0 80 0 - 6.2-6.5 HA SER 50 - HA SER 124 far 0 99 0 - 6.4-7.7 HB3 SER 99 - HA SER 94 far 0 90 0 - 7.8-10.9 HB3 SER 99 - HA SER 124 far 0 99 0 - 9.1-10.9 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 2.3-2.8 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 - 4.7-4.8 HA SER 50 - HA SER 124 far 0 90 0 - 6.4-7.7 HA LEU 122 - HA SER 124 far 0 65 0 - 6.4-7.0 HB3 SER 99 - HA SER 94 far 0 82 0 - 7.8-10.9 HA LEU 122 - HA SER 94 far 0 56 0 - 8.8-10.2 HA LEU 119 - HA SER 124 far 0 95 0 - 8.9-10.3 HB3 SER 99 - HA SER 124 far 0 92 0 - 9.1-10.9 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 - 8.1-8.9 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 3.4-4.2 7804=98, 7814/4049=78...(11) H LEU 122 - HA SER 124 far 0 97 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 3966 from aliabs.peaks (2.05, 4.24, 61.34 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 127 + HA SER 124 OK 100 100 100 100 2.3-4.1 4039=91, 1.8/4049=69...(8) HG2 ARG 90 - HA SER 94 far 0 59 0 - 7.6-9.1 HB3 GLU 91 - HA SER 94 far 0 80 0 - 8.3-8.9 QE MET 11 - HA SER 94 far 0 70 0 - 9.2-47.2 Violated in 1 structures by 0.01 A. Peak 3967 from aliabs.peaks (2.22, 4.24, 61.34 ppm; 3.86 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HA SER 124 OK 99 100 100 99 2.1-4.4 4049=81, 1.8/3966=73...(10) HB3 GLU 97 + HA SER 94 OK 69 93 75 99 3.4-5.1 1.8/3117=75...(11) HG2 GLU 97 + HA SER 94 OK 68 73 95 99 1.9-5.9 11457=73, 2.9/3117=59...(13) HB3 LEU 96 - HA SER 94 far 0 73 0 - 5.4-7.3 HB3 GLU 128 - HA SER 124 far 0 98 0 - 5.5-7.4 HB3 LEU 96 - HA SER 124 far 0 83 0 - 7.4-9.2 HB2 GLN 101 - HA SER 94 far 0 78 0 - 8.6-10.6 HG2 GLU 91 - HA SER 94 far 0 86 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 3968 from aliabs.peaks (4.48, 3.99, 62.31 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.78: * HA ASN 121 + HB2 SER 124 OK 78 100 95 82 3.5-4.9 3837=44, 7758/7769=41...(5) HB THR 54 - HA SER 50 far 0 62 0 - 5.6-8.6 HB THR 54 - HB3 SER 51 far 0 42 0 - 6.7-8.0 HA ASP 35 - HA VAL 20 far 0 71 0 - 7.8-28.4 HA ASN 121 - HA SER 50 far 0 85 0 - 9.1-11.3 Violated in 19 structures by 0.37 A. Peak 3970 from aliabs.peaks (4.24, 3.99, 62.31 ppm; 3.38 A): 2 out of 14 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 2.4-3.0 2.9=100 HA ALA 28 - HA VAL 20 far 5 99 5 - 4.1-16.2 HA LYS 19 - HA VAL 20 far 0 61 0 - 4.4-4.8 HA LYS 31 - HA VAL 20 far 0 63 0 - 4.5-18.9 HA ALA 29 - HA VAL 20 far 0 88 0 - 4.5-17.9 HA SER 51 - HA SER 50 far 0 51 0 - 4.6-4.8 HA LEU 22 - HA VAL 20 far 0 76 0 - 5.5-6.7 HA SER 124 - HA SER 50 far 0 85 0 - 6.4-7.7 HA LYS 26 - HA VAL 20 far 0 69 0 - 7.6-13.5 HA ALA 34 - HA VAL 20 far 0 58 0 - 7.6-26.0 HA GLN 27 - HA VAL 20 far 0 99 0 - 8.1-15.6 HA GLU 30 - HA VAL 20 far 0 61 0 - 8.8-19.7 HA SER 99 - HB2 SER 124 far 0 85 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 3971 from aliabs.peaks (3.99, 3.99, 62.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 SER 124 + HB2 SER 124 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 99 99 - 100 HA SER 50 + HA SER 50 OK 83 83 - 100 HB3 SER 51 + HB3 SER 51 OK 58 58 - 100 Peak 3972 from aliabs.peaks (4.01, 3.99, 62.31 ppm; diagonal): 3 out of 3 assignments used, quality = 0.98: HA VAL 20 + HA VAL 20 OK 76 76 - 100 HB2 SER 124 + HB2 SER 124 OK 76 76 - 100 HA SER 50 + HA SER 50 OK 72 72 - 100 Reference assignment not found: HB3 SER 124 - HB2 SER 124 Peak 3974 from aliabs.peaks (4.48, 4.01, 62.31 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.73: * HA ASN 121 + HB3 SER 124 OK 73 100 80 91 3.4-4.8 11626/10300=42...(7) HB THR 54 - HA SER 50 far 0 42 0 - 5.6-8.6 HA ASN 121 - HA SER 50 far 0 61 0 - 9.1-11.3 Violated in 17 structures by 0.44 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 2.3-2.8 3.0=100 HA SER 51 - HA SER 50 far 0 34 0 - 4.6-4.8 HA SER 124 - HA SER 50 far 0 61 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 3977 from aliabs.peaks (3.99, 4.01, 62.31 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HB3 SER 124 + HB3 SER 124 OK 76 76 - 100 HA SER 50 + HA SER 50 OK 59 59 - 100 Reference assignment not found: HB2 SER 124 - HB3 SER 124 Peak 3978 from aliabs.peaks (4.01, 4.01, 62.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 124 + HB3 SER 124 OK 100 100 - 100 HA SER 50 + HA SER 50 OK 50 50 - 100 Peak 3979 from aliabs.peaks (8.04, 4.01, 62.31 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H CYS 125 + HB3 SER 124 OK 100 100 100 100 3.5-4.1 4.5=100 H LEU 48 + HA SER 50 OK 59 59 100 100 6.6-7.2 6590/2.9=97, 6578/3.0=45...(9) H ALA 52 + HA SER 50 OK 51 51 100 100 4.1-4.8 6645/2.9=84, ~1601=72...(17) H CYS 125 - HA SER 50 far 3 61 5 - 7.6-8.9 H SER 130 - HA SER 50 far 0 59 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 3980 from aliabs.peaks (8.04, 4.36, 62.46 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HA CYS 125 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 130 - HA CYS 125 far 0 99 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 3981 from aliabs.peaks (4.36, 4.36, 62.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 125 + HA CYS 125 OK 100 100 - 100 Peak 3982 from aliabs.peaks (2.73, 4.36, 62.46 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 CYS 73 - HA CYS 125 far 0 99 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 3983 from aliabs.peaks (3.20, 4.36, 62.46 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3984 from aliabs.peaks (8.28, 4.36, 62.46 ppm; 4.61 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 96 + HA CYS 125 OK 70 100 70 99 4.9-5.9 9982/10379=40...(28) H LEU 123 - HA CYS 125 far 0 96 0 - 6.5-6.9 H ASP 131 - HA CYS 125 far 0 99 0 - 7.8-8.6 H SER 99 - HA CYS 125 far 0 96 0 - 7.8-9.1 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 3.3-4.0 7839=100, 3.6/3986=71...(20) 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 2.6-3.8 4087=78, 1.8/4095=49...(15) HB VAL 126 - HA CYS 125 far 0 63 0 - 5.7-6.0 HG3 GLU 91 - HA CYS 125 far 0 97 0 - 6.3-8.0 Violated in 2 structures by 0.00 A. Peak 3987 from aliabs.peaks (2.23, 4.36, 62.46 ppm; 3.86 A): 2 out of 5 assignments used, quality = 0.92: * HB3 GLU 128 + HA CYS 125 OK 75 100 75 100 2.6-5.4 1.8/3986=77, 4095=60...(15) HB3 LEU 96 + HA CYS 125 OK 68 97 70 100 4.2-5.5 11655/3.0=44...(44) HB3 GLN 127 - HA CYS 125 far 0 98 0 - 5.0-6.5 HG2 GLU 91 - HA CYS 125 far 0 81 0 - 6.5-8.7 HG2 GLU 97 - HA CYS 125 far 0 97 0 - 8.7-11.4 Violated in 17 structures by 0.19 A. Peak 3988 from aliabs.peaks (4.04, 2.73, 26.80 ppm; 3.78 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 122 + HB2 CYS 125 OK 98 100 100 98 2.2-4.2 3994/1.8=38...(18) HA LEU 96 + HB2 CYS 125 OK 93 93 100 99 2.4-3.6 3.0/11655=43...(28) HA ALA 92 + HB2 CYS 125 OK 43 92 50 93 4.2-6.1 2.1/11396=47, ~10376=28...(13) HA LYS 95 - HB2 CYS 125 far 0 92 0 - 5.2-6.8 HB3 SER 124 - HB2 CYS 125 far 0 65 0 - 5.7-7.4 HA LEU 119 - HB2 CYS 125 far 0 93 0 - 8.2-10.3 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 2 assignments used, quality = 1.00: * HA CYS 125 + HB2 CYS 125 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 69 - HB2 CYS 125 far 0 99 0 - 9.6-12.0 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): 2 out of 6 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 100 100 2.4-3.6 4.7=82, 7795/1.8=71...(22) H LEU 96 + HB2 CYS 125 OK 99 100 100 99 2.6-4.4 3.8/11655=50...(17) H LEU 123 - HB2 CYS 125 far 14 96 15 - 4.6-6.7 H SER 99 - HB2 CYS 125 far 0 96 0 - 5.7-6.9 H ASP 131 - HB2 CYS 125 far 0 99 0 - 8.9-10.3 H LEU 69 - HB2 CYS 125 far 0 85 0 - 9.5-11.5 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 98 100 100 98 1.9-3.9 3.0/11656=47...(21) HA LEU 96 + HB3 CYS 125 OK 93 93 100 99 2.1-3.4 4.0/9987=42...(25) HA ALA 92 - HB3 CYS 125 far 14 92 15 - 3.7-7.2 HB3 SER 124 - HB3 CYS 125 far 0 65 0 - 5.6-7.2 HA LYS 95 - HB3 CYS 125 far 0 92 0 - 5.9-7.5 HA LEU 119 - HB3 CYS 125 far 0 93 0 - 7.5-10.3 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 2.2-3.6 3.9=100 H SER 130 - HB3 CYS 125 far 0 99 0 - 7.5-8.8 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 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 99 0 - 9.6-12.0 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 - 8.2-11.5 Violated in 0 structures by 0.00 A. Peak 3998 from aliabs.peaks (3.20, 3.20, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HB3 CYS 125 OK 100 100 - 100 Peak 3999 from aliabs.peaks (8.28, 3.20, 26.80 ppm; 4.17 A): 3 out of 7 assignments used, quality = 1.00: * H VAL 126 + HB3 CYS 125 OK 100 100 100 100 2.4-3.2 7795=73, 7792/7784=60...(21) H LEU 96 + HB3 CYS 125 OK 94 100 95 100 3.2-5.2 4.6/9987=43...(22) H LEU 123 + HB3 CYS 125 OK 72 96 85 88 4.5-6.5 4.3/11656=43...(7) H SER 99 - HB3 CYS 125 far 0 96 0 - 5.3-7.2 H ASP 131 - HB3 CYS 125 far 0 99 0 - 9.0-10.4 H LEU 69 - HB3 CYS 125 far 0 85 0 - 9.4-11.3 H LEU 49 - HB3 CYS 125 far 0 81 0 - 9.7-12.4 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 2.8-2.9 2.9=100 H LEU 96 - HA VAL 126 far 0 100 0 - 5.7-6.5 H ASP 131 - HA VAL 126 far 0 99 0 - 6.4-7.0 H LEU 123 - HA VAL 126 far 0 96 0 - 7.0-7.6 H LEU 69 - HA VAL 126 far 0 85 0 - 7.1-8.8 H LEU 49 - HA VAL 126 far 0 81 0 - 7.5-9.3 H SER 99 - HA VAL 126 far 0 96 0 - 8.8-10.2 H LEU 43 - HA VAL 126 far 0 99 0 - 9.5-10.4 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): 2 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 OK 35 63 60 92 4.8-5.7 4.5/4006=41...(12) HB2 GLU 97 - HA VAL 126 far 0 71 0 - 8.3-10.4 HG3 GLU 91 - HA VAL 126 far 0 89 0 - 9.2-10.3 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 2.4-2.6 3.2=100 QG2 VAL 126 + HA VAL 126 OK 99 99 100 100 2.1-2.4 3.2=100 QD2 LEU 53 - HA VAL 126 far 0 97 0 - 7.0-10.8 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 2.1-2.4 3.2=100 QG1 VAL 126 + HA VAL 126 OK 99 99 100 100 2.4-2.6 3.2=100 QD2 LEU 53 - HA VAL 126 far 0 100 0 - 7.0-10.8 Violated in 0 structures by 0.00 A. Peak 4005 from aliabs.peaks (8.20, 3.43, 67.09 ppm; 6.31 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA VAL 126 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 122 - HA VAL 126 far 0 97 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 4006 from aliabs.peaks (8.00, 3.43, 67.09 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA VAL 126 OK 100 100 100 100 3.1-3.6 7873/10402=65, 7859=61...(21) H SER 94 - HA VAL 126 far 0 97 0 - 8.1-8.7 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 2 assignments used, quality = 1.00: * HB ILE 129 + HA VAL 126 OK 100 100 100 100 2.7-3.8 3.2/10402=67...(24) HB3 LEU 53 - HA VAL 126 far 0 98 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 4008 from aliabs.peaks (3.85, 2.11, 31.38 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 123 + HB VAL 126 OK 100 100 100 100 2.6-3.8 10393/2.1=87, 3917=81...(13) HB2 SER 50 - HB VAL 126 far 7 65 10 - 4.5-7.4 HB3 SER 50 - HB VAL 126 far 0 63 0 - 5.7-8.2 HA LEU 70 - HB VAL 126 far 0 57 0 - 8.2-10.0 HA LEU 62 - HB VAL 126 far 0 90 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 4009 from aliabs.peaks (8.28, 2.11, 31.38 ppm; 4.00 A): 1 out of 7 assignments used, quality = 1.00: * H VAL 126 + HB VAL 126 OK 100 100 100 100 2.2-2.6 3.7=100 H LEU 123 - HB VAL 126 poor 19 96 20 - 4.7-5.6 H LEU 49 - HB VAL 126 far 0 81 0 - 5.3-7.5 H LEU 69 - HB VAL 126 far 0 85 0 - 7.3-8.8 H LEU 96 - HB VAL 126 far 0 100 0 - 7.3-8.3 H ASP 131 - HB VAL 126 far 0 99 0 - 7.8-8.8 H SER 99 - HB VAL 126 far 0 96 0 - 8.7-10.6 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 - 7.6-8.4 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 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 QD2 LEU 53 - HB VAL 126 far 0 97 0 - 4.8-8.9 QD1 LEU 119 - HB VAL 126 far 0 87 0 - 9.7-11.1 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 4 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 - 4.8-8.9 QD1 LEU 119 - HB VAL 126 far 0 73 0 - 9.7-11.1 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 2.5-3.0 4.6=100 H LEU 122 - HB VAL 126 far 0 97 0 - 6.4-7.3 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 100 100 100 100 3.6-3.8 4021/2.1=75, 4.0=73...(13) H LEU 49 + QG1 VAL 126 OK 40 81 60 82 3.7-5.1 3.2/11785=47...(8) H LEU 69 - QG1 VAL 126 far 0 85 0 - 4.8-6.2 H ASP 131 - QG1 VAL 126 far 0 99 0 - 5.7-6.5 H LEU 123 - QG1 VAL 126 far 0 96 0 - 5.8-6.6 H LEU 43 - QG1 VAL 126 far 0 99 0 - 6.7-7.8 H LEU 96 - QG1 VAL 126 far 0 100 0 - 6.8-7.6 H SER 99 - QG1 VAL 126 far 0 96 0 - 8.9-10.0 Violated in 3 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 2.4-2.6 3.2=100 HA ILE 129 - QG1 VAL 126 far 0 85 0 - 5.4-6.4 HB3 HIS 67 - QG1 VAL 126 far 0 63 0 - 8.2-10.0 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 - 5.9-6.7 HB2 GLU 97 - QG1 VAL 126 far 0 71 0 - 7.9-10.0 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 2.7-3.5 4.3=100 H LEU 122 - QG1 VAL 126 far 0 97 0 - 7.2-8.1 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 2.1-2.8 4.0=57, 7797/2.1=56...(21) H LEU 123 - QG2 VAL 126 far 0 96 0 - 4.3-5.4 H LEU 69 - QG2 VAL 126 far 0 85 0 - 4.5-5.7 H LEU 96 - QG2 VAL 126 far 0 100 0 - 4.8-5.5 H LEU 49 - QG2 VAL 126 far 0 81 0 - 4.9-6.4 H SER 99 - QG2 VAL 126 far 0 96 0 - 6.3-7.4 H ASP 131 - QG2 VAL 126 far 0 99 0 - 7.5-8.0 H LEU 43 - QG2 VAL 126 far 0 99 0 - 8.7-9.7 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 2.1-2.4 3.2=100 HA ILE 129 - QG2 VAL 126 far 0 85 0 - 6.1-7.3 HB3 HIS 67 - QG2 VAL 126 far 0 63 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 4023 from aliabs.peaks (2.11, 0.96, 24.06 ppm; 3.12 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 128 - QG2 VAL 126 far 0 63 0 - 6.1-6.8 HB2 GLU 97 - QG2 VAL 126 far 0 71 0 - 6.1-7.9 HB2 GLU 102 - QG2 VAL 126 far 0 65 0 - 9.3-11.5 HG3 GLU 91 - QG2 VAL 126 far 0 89 0 - 9.5-10.3 HB3 GLN 61 - QG2 VAL 126 far 0 99 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4024 from aliabs.peaks (0.96, 0.96, 24.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 126 + QG2 VAL 126 OK 99 99 - 100 Reference assignment not found: QG1 VAL 126 - QG2 VAL 126 Peak 4025 from aliabs.peaks (0.96, 0.96, 24.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 126 + QG2 VAL 126 OK 100 100 - 100 Peak 4026 from aliabs.peaks (8.20, 0.96, 24.06 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + QG2 VAL 126 OK 100 100 100 100 3.7-4.2 4.4=96, 4020/2.1=77...(24) H LEU 122 + QG2 VAL 126 OK 24 97 25 98 5.0-6.3 2.9/10397=68, ~11604=35...(15) Violated in 0 structures by 0.00 A. Peak 4027 from aliabs.peaks (8.20, 3.97, 58.71 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA GLN 127 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 122 - HA GLN 127 far 0 97 0 - 10.0-10.9 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 6 assignments used, quality = 1.00: * HB2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 91 + HA GLU 91 OK 74 74 100 100 2.3-2.8 3.0=100 HG2 ARG 90 - HA GLU 91 far 0 53 0 - 5.8-6.6 HG3 GLN 134 - HA GLN 127 far 0 63 0 - 7.9-11.4 HB2 GLN 134 - HA GLN 127 far 0 63 0 - 9.3-11.4 HG3 ARG 135 - HA GLN 127 far 0 90 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 4030 from aliabs.peaks (2.22, 3.97, 58.71 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 91 + HA GLU 91 OK 80 80 100 100 3.7-3.9 2877=88, 1.8/2884=69...(15) HB3 GLU 128 - HA GLN 127 far 0 98 0 - 5.5-6.6 HG2 GLU 97 - HA GLU 91 far 0 66 0 - 7.8-12.0 HB3 LEU 96 - HA GLN 127 far 0 83 0 - 7.8-9.0 HB3 GLU 128 - HA GLU 91 far 0 83 0 - 8.1-10.5 HB3 LEU 96 - HA GLU 91 far 0 66 0 - 8.1-9.6 HB3 GLU 97 - HA GLU 91 far 0 87 0 - 9.5-11.4 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 2.0-3.5 3.8=100 HG2 GLU 128 - HA GLN 127 far 0 100 0 - 5.8-7.7 HG2 GLU 128 - HA GLU 91 far 0 87 0 - 7.2-9.1 HB VAL 77 - HA GLU 91 far 0 87 0 - 8.5-10.0 HB3 GLN 134 - HA GLN 127 far 0 93 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 4032 from aliabs.peaks (2.48, 3.97, 58.71 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.1-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 4035 from aliabs.peaks (7.88, 3.97, 58.71 ppm; 5.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLN 127 OK 100 100 100 100 3.5-3.5 3.6=100 H ALA 88 - HA GLU 91 far 6 64 10 - 6.7-7.2 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 3.7-4.2 7878=100, 3.9/4181=69...(12) H CYS 125 - HA GLN 127 far 0 99 0 - 6.5-6.9 H LEU 48 - HA GLN 127 far 0 95 0 - 7.2-9.2 H ALA 52 - HA GLN 127 far 0 98 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4037 from aliabs.peaks (3.82, 3.97, 58.71 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.87: HA ARG 90 + HA GLU 91 OK 60 64 100 94 4.8-4.9 4.8=58, ~7223=30...(11) HB2 SER 50 + HA GLN 127 OK 44 100 60 74 3.9-6.3 10419/5.6=20...(9) * HB2 SER 130 + HA GLN 127 OK 43 100 45 95 3.1-5.7 1.8/4181=84...(6) Violated in 12 structures by 0.06 A. Peak 4038 from aliabs.peaks (3.77, 3.97, 58.71 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 130 + HA GLN 127 OK 100 100 100 100 2.9-4.9 4181=100, 3.9/4036=46...(7) HA ARG 90 + HA GLU 91 OK 48 51 100 94 4.8-4.9 4.8=63, ~7223=32...(11) HA SER 130 - HA GLN 127 far 0 100 0 - 5.7-6.6 HA LEU 43 - HA GLN 127 far 0 100 0 - 6.1-7.9 Violated in 1 structures by 0.01 A. Peak 4039 from aliabs.peaks (4.24, 2.05, 27.71 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 124 + HB2 GLN 127 OK 100 100 100 100 2.3-4.1 3966=100, 4049/1.8=73...(8) HB THR 115 - HG3 PRO 113 poor 19 42 45 - 2.4-6.6 HA SER 51 - HB2 GLN 127 far 0 68 0 - 9.4-11.5 Violated in 1 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 2.1-3.5 4.0=100 H LEU 122 - HB2 GLN 127 far 0 97 0 - 8.6-10.5 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 7 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.7-3.0 3.0=100 HA3 GLY 111 - HG3 PRO 58 far 5 50 10 - 4.2-15.3 HA SER 50 - HB2 GLN 127 far 0 63 0 - 4.9-7.8 HB2 SER 124 - HB2 GLN 127 far 0 81 0 - 5.0-6.8 HB3 SER 107 - HG3 PRO 58 far 0 71 0 - 8.2-14.4 HA3 GLY 111 - HG3 PRO 113 far 0 55 0 - 8.3-8.9 HD3 PRO 117 - HG3 PRO 113 far 0 68 0 - 8.4-13.1 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 - 4.6-6.1 HB3 LEU 96 - HB2 GLN 127 far 0 83 0 - 7.7-10.1 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 2.4-3.0 3.0=100 HG2 GLU 128 - HB2 GLN 127 far 5 100 5 - 4.5-7.4 HB3 GLN 134 - HB2 GLN 127 far 0 93 0 - 9.3-13.0 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 2.2-3.0 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 3.0-3.6 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 = 0.99: * HA SER 124 + HB3 GLN 127 OK 99 100 100 99 2.1-4.4 3966/1.8=82...(10) HA SER 99 - HB2 GLN 101 far 0 51 0 - 6.4-7.6 HA SER 94 - HB2 GLN 101 far 0 67 0 - 8.6-10.6 HA SER 51 - HB3 GLN 127 far 0 68 0 - 9.5-11.6 Violated in 2 structures by 0.02 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 2.1-3.5 4.0=100 H LEU 122 - HB3 GLN 127 far 0 97 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 4051 from aliabs.peaks (3.97, 2.22, 27.71 ppm; 3.73 A): 1 out of 8 assignments used, quality = 1.00: * HA GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 124 - HB3 GLN 127 far 0 81 0 - 4.7-7.1 HA SER 50 - HB3 GLN 127 far 0 63 0 - 5.4-8.0 HA LEU 100 - HB2 GLN 101 far 0 67 0 - 6.0-6.6 HB3 SER 106 - HB2 GLN 101 far 0 62 0 - 6.8-11.1 HB2 SER 106 - HB2 GLN 101 far 0 68 0 - 7.9-10.7 HB3 SER 99 - HB2 GLN 101 far 0 34 0 - 8.3-9.2 HB3 SER 107 - HB2 GLN 101 far 0 64 0 - 9.8-12.8 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 5 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 - HB2 GLN 101 far 0 48 0 - 5.0-48.7 HB VAL 63 - HB2 GLN 101 far 0 37 0 - 8.5-11.7 HG3 GLN 134 - HB3 GLN 127 far 0 63 0 - 8.9-13.9 HB VAL 118 - HB2 GLN 101 far 0 54 0 - 9.8-11.5 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 4 assignments used, quality = 1.00: * HG2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 - HB2 GLN 101 far 0 57 0 - 4.6-7.2 HG2 GLU 128 - HB3 GLN 127 far 0 100 0 - 5.3-7.4 HB3 GLN 134 - HB3 GLN 127 far 0 93 0 - 9.1-13.7 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 4 assignments used, quality = 1.00: * HG3 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 104 - HB2 GLN 101 poor 19 66 35 80 3.4-6.5 3451/3.0=27, ~3442=17...(16) HG3 GLU 102 - HB2 GLN 101 poor 7 35 20 - 4.4-7.3 HG3 MET 11 - HB2 GLN 101 far 0 32 0 - 7.3-56.4 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 3.9-5.3 4.5=100 HE21 GLN 101 + HB2 GLN 101 OK 35 35 100 100 4.0-4.7 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 3 assignments used, quality = 1.00: * H GLU 128 + HB3 GLN 127 OK 100 100 100 100 3.0-3.8 4.7=100 H GLU 102 + HB2 GLN 101 OK 48 48 100 100 3.8-4.4 4.7=100 H GLN 68 - HB2 GLN 101 far 0 57 0 - 9.9-13.5 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 2.7-3.9 7815=100, 4068/1.8=88...(23) H LEU 122 - HG2 GLN 127 far 0 97 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 4060 from aliabs.peaks (3.97, 2.34, 33.53 ppm; 3.23 A): 1 out of 9 assignments used, quality = 0.99: * HA GLN 127 + HG2 GLN 127 OK 99 100 100 99 2.0-3.5 3.8=64, 3.0/4062=58...(17) HA SER 50 - HG2 GLN 127 poor 19 63 30 - 3.6-5.8 HB2 SER 124 - HG2 GLN 127 far 0 81 0 - 6.2-8.8 HA VAL 20 - HG2 GLN 27 far 0 72 0 - 7.6-17.7 HB3 SER 51 - HG2 GLN 127 far 0 95 0 - 8.0-9.7 HB2 SER 51 - HG2 GLN 127 far 0 68 0 - 8.4-10.2 HA3 GLY 17 - HG3 GLN 27 far 0 90 0 - 9.1-21.5 HA VAL 20 - HG3 GLN 27 far 0 71 0 - 9.1-16.9 HA2 GLY 17 - HG3 GLN 27 far 0 82 0 - 9.3-21.1 Violated in 1 structures by 0.01 A. Peak 4061 from aliabs.peaks (2.05, 2.34, 33.53 ppm; 3.21 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.4-3.0 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 - HG3 GLN 27 far 0 74 0 - 9.3-30.8 HG3 GLN 134 - HG2 GLN 127 far 0 63 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 4062 from aliabs.peaks (2.22, 2.34, 33.53 ppm; 2.74 A): 1 out of 5 assignments used, quality = 0.94: * HB3 GLN 127 + HG2 GLN 127 OK 94 100 100 94 2.2-3.0 3.0=75, 3.0/4060=35...(9) HB3 GLU 128 - HG2 GLN 127 far 0 98 0 - 6.9-8.2 HB3 LEU 96 - HG2 GLN 127 far 0 83 0 - 8.1-10.5 HB2 GLN 68 - HG2 GLN 27 far 0 96 0 - 9.1-26.0 HB2 GLN 68 - HG3 GLN 27 far 0 95 0 - 9.4-26.6 Violated in 14 structures by 0.14 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 1 assignment used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 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 4.7-5.2 3.6/4060=100...(19) 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 2.9-3.9 7816=100, 4059/1.8=88...(23) H LEU 122 - HG3 GLN 127 far 0 97 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 4069 from aliabs.peaks (3.97, 2.48, 33.53 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.1-3.6 3.8=86, 4060/1.8=82...(17) HA SER 50 + HG3 GLN 127 OK 29 63 65 72 3.0-5.2 11772/10437=32...(9) HB2 SER 124 - HG3 GLN 127 far 0 81 0 - 6.3-7.7 HB3 SER 51 - HG3 GLN 127 far 0 95 0 - 8.0-9.9 HB2 SER 51 - HG3 GLN 127 far 0 68 0 - 8.8-10.4 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 1 assignment used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 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 2.2-3.0 3.0=100 HB3 GLU 128 - HG3 GLN 127 far 0 98 0 - 6.6-8.3 HB3 LEU 96 - HG3 GLN 127 far 0 83 0 - 8.3-10.3 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 3 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 - 6.5-9.4 HB3 GLN 134 - HG3 GLN 127 far 0 93 0 - 10.0-14.1 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 3.5-4.1 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 4.9-5.3 3.2/4068=89, 4048/3.0=85...(19) Violated in 2 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 2.8-2.9 2.9=100 H GLN 68 + HA HIS 67 OK 38 38 100 100 3.4-3.6 3.6=100 H GLU 102 - HA HIS 67 far 0 31 0 - 8.5-10.1 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 - 7.2-10.7 HB VAL 126 - HA GLU 128 far 0 63 0 - 7.5-7.9 HG3 GLU 91 - HA GLU 128 far 0 97 0 - 7.6-9.3 HB VAL 126 - HA HIS 67 far 0 23 0 - 8.7-11.5 HB2 LEU 62 - HA HIS 67 far 0 29 0 - 9.0-10.4 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 2.2-2.9 3.0=100 HB3 GLN 127 - HA GLU 128 poor 20 98 20 - 4.0-5.0 HG2 GLN 68 - HA HIS 67 far 0 37 0 - 4.9-7.2 HB3 GLU 97 - HA HIS 67 far 0 41 0 - 4.9-8.0 HG2 GLU 97 - HA HIS 67 far 0 41 0 - 5.3-9.3 HB2 GLN 68 - HA HIS 67 far 0 40 0 - 5.5-6.6 HB3 GLN 104 - HA HIS 67 far 0 44 0 - 5.8-10.3 HB2 GLN 101 - HA HIS 67 far 0 25 0 - 6.7-10.3 HG2 GLU 91 - HA GLU 128 far 0 81 0 - 6.9-9.1 HB3 LEU 96 - HA HIS 67 far 0 41 0 - 7.7-9.9 HB3 LEU 96 - HA GLU 128 far 0 97 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 4081 from aliabs.peaks (2.34, 4.19, 59.09 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.9-4.1 4104=100, 1.8/4111=80...(19) HG3 GLN 68 - HA HIS 67 far 0 30 0 - 5.5-7.1 HG2 GLN 127 - HA GLU 128 far 0 100 0 - 6.0-6.7 HB3 GLN 134 - HA GLU 128 far 0 96 0 - 7.1-10.6 Violated in 10 structures by 0.09 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 2.0-3.8 4111=100, 1.8/4104=74...(19) HG3 GLU 97 - HA HIS 67 far 0 31 0 - 4.7-9.3 HG2 GLN 101 - HA HIS 67 far 0 45 0 - 6.2-10.5 HG2 MET 11 - HA HIS 67 far 0 29 0 - 8.8-47.0 Violated in 0 structures by 0.00 A. Peak 4083 from aliabs.peaks (8.00, 4.19, 59.09 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA GLU 128 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 94 - HA HIS 67 far 0 42 0 - 9.8-12.6 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 8 assignments used, quality = 1.00: * H ASP 131 + HA GLU 128 OK 100 100 100 100 3.2-3.6 7904/4086=94...(12) H LEU 69 + HA HIS 67 OK 25 25 100 99 3.9-5.0 3.6/6936=71, 6893/3.6=61...(13) H VAL 126 - HA GLU 128 far 0 99 0 - 6.8-7.1 H LEU 96 - HA HIS 67 far 0 46 0 - 8.5-10.8 H SER 99 - HA HIS 67 far 0 34 0 - 8.7-10.2 H LEU 96 - HA GLU 128 far 0 100 0 - 9.5-10.4 H VAL 126 - HA HIS 67 far 0 44 0 - 9.8-11.9 H ALA 29 - HA HIS 67 far 0 28 0 - 9.9-25.5 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 3 assignments used, quality = 1.00: * HB2 ASP 131 + HA GLU 128 OK 100 100 100 100 2.3-4.3 4195=100, 1.8/4086=78...(15) HB2 ASP 64 - HA HIS 67 far 0 37 0 - 7.6-8.6 HB2 CYS 73 - HA HIS 67 far 0 22 0 - 8.0-10.6 Violated in 6 structures by 0.08 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 2.2-3.8 4201=91, 1.8/4195=71...(14) HE3 LYS 95 - HA GLU 128 far 0 99 0 - 9.0-14.0 HE2 LYS 95 - HA GLU 128 far 0 98 0 - 9.6-14.1 Violated in 2 structures by 0.00 A. Peak 4087 from aliabs.peaks (4.36, 2.08, 28.58 ppm; 4.11 A): 1 out of 13 assignments used, quality = 1.00: * HA CYS 125 + HB2 GLU 128 OK 100 100 100 100 2.6-3.8 3986=100, 4095/1.8=58...(15) HA ASN 59 - HB2 GLN 61 far 2 47 5 - 4.8-6.8 HA PRO 81 - HB3 GLN 82 far 0 34 0 - 5.2-6.4 HA GLN 134 - HB3 GLN 82 far 0 68 0 - 6.1-12.4 HA ASP 47 - HB3 GLU 44 far 0 56 0 - 7.4-8.5 HA LEU 69 - HB3 GLU 44 far 0 71 0 - 7.4-9.6 HA LYS 24 - HB2 GLN 61 far 0 38 0 - 7.6-40.7 HA LYS 24 - HB3 GLU 44 far 0 41 0 - 7.8-31.8 HA PRO 117 - HB2 GLU 102 far 0 98 0 - 8.3-11.9 HA PRO 113 - HB2 GLN 61 far 0 65 0 - 8.8-14.0 HA ASN 59 - HB2 GLU 102 far 0 78 0 - 9.3-12.5 HA CYS 73 - HB2 GLU 128 far 0 81 0 - 9.8-12.8 HA ASP 47 - HB2 GLU 128 far 0 85 0 - 9.9-12.3 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 2.1-3.1 3.6=100 H GLU 102 + HB2 GLU 102 OK 80 80 100 100 2.2-3.4 3.8=100 H ALA 41 + HB3 GLU 44 OK 46 65 70 100 4.4-6.8 2.9/1281=82, ~10949=41...(22) H ALA 88 - HB3 GLN 82 far 0 48 0 - 7.5-9.9 H ALA 88 - HB2 GLU 128 far 0 81 0 - 8.6-11.4 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 7 assignments used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HB THR 25 - HB2 GLN 61 far 0 69 0 - 6.0-39.8 HA ALA 88 - HB2 GLU 128 far 0 95 0 - 6.6-9.2 HA LEU 53 - HB2 GLN 61 far 0 61 0 - 6.9-11.1 HB3 SER 38 - HB3 GLU 44 far 0 49 0 - 7.8-10.9 HA VAL 105 - HB2 GLU 102 far 0 91 0 - 7.9-8.5 HB THR 25 - HB3 GLU 44 far 0 74 0 - 8.4-31.7 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 HG2 GLU 91 - HB2 GLU 128 far 0 81 0 - 4.4-7.9 HB3 GLN 127 - HB2 GLU 128 far 0 98 0 - 4.5-6.4 HB2 GLN 101 - HB2 GLU 102 far 0 68 0 - 5.1-7.2 HB2 PRO 81 - HB3 GLN 82 far 0 40 0 - 5.2-6.9 HB3 LEU 96 - HB2 GLU 128 far 0 97 0 - 5.8-7.3 HB3 GLN 104 - HB2 GLU 102 far 0 98 0 - 6.9-9.3 HB2 GLN 68 - HB3 GLU 44 far 0 65 0 - 7.6-10.6 HG2 GLU 97 - HB2 GLU 102 far 0 96 0 - 7.7-12.4 HB3 GLU 97 - HB2 GLU 102 far 0 95 0 - 8.0-11.0 HG2 GLN 68 - HB3 GLU 44 far 0 61 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 4092 from aliabs.peaks (2.34, 2.08, 28.58 ppm; 3.97 A): 3 out of 9 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 2.2-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 45 45 100 100 2.2-3.0 3.0=100 HG2 GLN 127 - HB2 GLU 128 far 0 100 0 - 6.7-8.0 HG3 GLN 68 - HB3 GLU 44 far 0 51 0 - 7.3-9.6 HB3 GLN 134 - HB3 GLN 82 far 0 61 0 - 8.2-13.8 HB2 PRO 117 - HB2 GLU 102 far 0 88 0 - 8.9-12.1 HB3 GLN 134 - HB2 GLU 128 far 0 96 0 - 9.7-13.1 HB VAL 77 - HB2 GLU 128 far 0 100 0 - 9.9-14.0 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 9 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 2.4-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 60 60 100 100 2.3-3.0 2.9=100 HG3 GLN 61 + HB2 GLN 61 OK 58 58 100 100 2.2-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 32 99 55 58 3.0-7.8 7450/7455=38...(8) HG3 GLU 40 - HB3 GLU 44 far 0 39 0 - 4.6-8.8 HB3 PRO 58 - HB2 GLN 61 far 0 61 0 - 4.7-6.1 HG2 GLU 55 - HB2 GLN 61 far 0 38 0 - 7.2-12.4 HG3 GLU 97 - HB2 GLU 102 far 0 80 0 - 7.9-12.6 Violated in 0 structures by 0.00 A. Peak 4094 from aliabs.peaks (8.00, 2.08, 28.58 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 129 + HB2 GLU 128 OK 100 100 100 100 2.3-3.6 4.5=100 H VAL 57 - HB2 GLN 61 far 0 69 0 - 6.0-8.1 H ALA 52 - HB2 GLN 61 far 0 45 0 - 7.0-9.8 H SER 94 - HB2 GLU 128 far 0 97 0 - 8.0-10.2 H SER 51 - HB2 GLN 61 far 0 55 0 - 9.3-11.9 H SER 51 - HB3 GLU 44 far 0 59 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4095 from aliabs.peaks (4.36, 2.23, 28.58 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.96: * HA CYS 125 + HB3 GLU 128 OK 95 100 95 100 2.6-5.4 3986/1.8=87...(15) HA LEU 69 + HB2 GLN 68 OK 25 50 50 99 4.2-5.6 2.9/2139=34, ~2158=29...(25) HA LEU 69 - HB3 GLU 97 far 0 82 0 - 8.2-11.7 HA PRO 117 - HB3 GLU 102 far 0 98 0 - 8.8-11.7 HA CYS 73 - HB2 GLN 68 far 0 36 0 - 9.2-11.6 HA CYS 73 - HB3 GLU 97 far 0 62 0 - 9.5-11.8 HA ASN 59 - HB3 GLU 102 far 0 77 0 - 9.6-12.7 HA LYS 24 - HB2 GLN 68 far 0 28 0 - 9.8-30.6 Violated in 5 structures by 0.04 A. Peak 4096 from aliabs.peaks (7.88, 2.23, 28.58 ppm; 5.17 A): 3 out of 7 assignments used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.1-3.6 3.6=100 H GLU 102 + HB3 GLU 102 OK 79 79 100 100 2.2-3.6 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 - 6.3-8.6 H GLN 68 - HB3 GLU 97 far 0 73 0 - 8.1-11.5 H ALA 88 - HB3 GLU 128 far 0 81 0 - 8.5-11.1 H ALA 41 - HB2 GLN 68 far 0 46 0 - 9.5-12.9 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 8 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HA HIS 67 - HB3 GLU 97 far 7 73 10 - 4.9-8.0 HA HIS 67 - HB2 GLN 68 far 0 43 0 - 5.5-6.6 HA ALA 88 - HB3 GLU 128 far 0 95 0 - 6.6-9.0 HA VAL 105 - HB3 GLU 102 far 0 91 0 - 6.9-8.4 HA GLU 30 - HB2 GLN 68 far 0 33 0 - 9.1-22.8 HA ALA 34 - HB2 GLN 68 far 0 35 0 - 9.4-14.1 HB THR 25 - HB2 GLN 68 far 0 52 0 - 9.5-29.8 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 13 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 - 4.5-7.8 HG3 GLU 91 - HB3 GLU 128 far 0 97 0 - 5.6-7.5 HG2 PRO 117 - HB3 GLU 102 far 0 59 0 - 6.0-8.9 HB VAL 126 - HB3 GLU 128 far 0 63 0 - 6.7-8.6 HG3 PRO 117 - HB3 GLU 102 far 0 59 0 - 7.5-10.5 HB3 GLU 44 - HB2 GLN 68 far 0 50 0 - 7.6-10.6 HB2 GLU 102 - HB3 GLU 97 far 0 85 0 - 8.0-11.0 HB2 LEU 62 - HB3 GLU 102 far 0 74 0 - 8.8-12.5 HG3 GLN 134 - HB3 GLU 128 far 0 100 0 - 9.2-12.4 HB2 LEU 62 - HB2 GLN 68 far 0 33 0 - 9.9-12.6 HB VAL 126 - HB3 GLU 97 far 0 47 0 - 10.0-11.6 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 11 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 GLN 68 + HB2 GLN 68 OK 35 35 100 100 2.3-3.0 3.0=100 HG2 GLN 127 - HB3 GLU 128 far 0 100 0 - 6.9-8.2 HG2 GLU 102 - HB3 GLU 97 far 0 76 0 - 7.8-11.4 HB3 GLN 134 - HB3 GLU 128 far 0 96 0 - 8.8-12.6 HB2 PRO 117 - HB3 GLU 102 far 0 87 0 - 9.0-11.7 HG2 GLN 27 - HB2 GLN 68 far 0 52 0 - 9.1-26.0 HG3 GLN 27 - HB2 GLN 68 far 0 52 0 - 9.4-26.6 HG3 GLN 68 - HB3 GLU 97 far 0 60 0 - 9.5-13.1 HG2 GLU 44 - HB2 GLN 68 far 0 31 0 - 9.7-12.8 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 2.6-3.0 3.0=100 HG3 GLU 97 + HB3 GLU 97 OK 62 62 100 100 2.3-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 97 poor 9 84 30 36 3.6-6.8 3112/3.0=10, 7361/7359=7...(9) HG2 GLN 101 - HB3 GLU 102 far 0 99 0 - 4.5-8.1 HG3 GLN 61 - HB2 GLN 68 far 0 43 0 - 8.9-14.0 HG3 GLU 97 - HB3 GLU 102 far 0 79 0 - 9.4-12.9 HG2 MET 11 - HB3 GLU 97 far 0 58 0 - 9.6-52.8 HG3 GLU 97 - HB2 GLN 68 far 0 36 0 - 9.7-14.4 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 2.8-4.3 4.5=100 H SER 94 - HB3 GLU 97 far 0 80 0 - 5.7-7.4 H SER 94 - HB3 GLU 128 far 0 97 0 - 7.9-10.7 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 2.3-4.7 4.6=100 H ALA 88 - HG2 GLU 128 far 0 81 0 - 7.5-11.0 Violated in 0 structures by 0.00 A. Peak 4104 from aliabs.peaks (4.19, 2.34, 34.22 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.9-4.1 4081=97, 4111/1.8=79...(19) HA ALA 88 - HG2 GLU 128 far 0 95 0 - 5.6-8.8 Violated in 10 structures by 0.11 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 far 10 97 10 - 4.0-6.8 HB VAL 126 - HG2 GLU 128 far 0 63 0 - 6.2-9.5 HG3 GLN 134 - HG2 GLU 128 far 0 100 0 - 8.1-13.4 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 2.3-3.0 3.0=100 HG2 GLU 91 - HG2 GLU 128 far 4 81 5 - 3.9-6.4 HB3 LEU 96 - HG2 GLU 128 far 0 97 0 - 5.3-8.7 HB3 GLN 127 - HG2 GLU 128 far 0 98 0 - 5.3-7.4 HG2 GLU 97 - HG2 GLU 128 far 0 97 0 - 9.3-14.5 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 2 assignments used, quality = 1.00: * HG3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 97 - HG2 GLU 128 far 0 81 0 - 9.5-14.3 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 2.8-4.8 4109=100, 4116/1.8=85...(17) H SER 94 - HG2 GLU 128 far 0 97 0 - 7.6-9.5 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 2.4-4.1 7854=100, 2.9/4111=77...(17) H ALA 88 - HG3 GLU 128 far 0 81 0 - 7.6-11.2 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 2.0-3.8 4082=88, 4104/1.8=68...(19) HA ALA 88 - HG3 GLU 128 far 0 95 0 - 5.9-9.2 Violated in 7 structures by 0.03 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 - 5.0-7.6 HB VAL 126 - HG3 GLU 128 far 0 63 0 - 6.9-9.0 HG3 GLN 134 - HG3 GLU 128 far 0 100 0 - 8.8-12.6 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 2.6-3.0 3.0=100 HB3 GLN 127 - HG3 GLU 128 far 0 98 0 - 4.3-7.2 HG2 GLU 91 - HG3 GLU 128 far 0 81 0 - 4.6-7.1 HB3 LEU 96 - HG3 GLU 128 far 0 97 0 - 5.8-9.2 HG2 GLU 97 - HG3 GLU 128 far 0 97 0 - 9.9-12.9 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 - 6.5-9.1 HB3 GLN 134 - HG3 GLU 128 far 0 96 0 - 8.6-12.0 HB VAL 77 - HG3 GLU 128 far 0 100 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. Peak 4115 from aliabs.peaks (2.42, 2.42, 34.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 Peak 4116 from aliabs.peaks (8.00, 2.42, 34.22 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG3 GLU 128 OK 100 100 100 100 2.6-4.9 4109/1.8=80, 7864/3.0=75...(16) H SER 94 - HG3 GLU 128 far 0 97 0 - 7.5-10.7 Violated in 2 structures by 0.02 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 - 7.5-8.4 H SER 94 - HA VAL 77 far 0 81 0 - 9.3-10.3 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 9 assignments used, quality = 1.00: * HB ILE 129 + HA ILE 129 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 90 + HA VAL 77 OK 65 65 100 100 4.5-5.2 9662/2401=82...(26) HB2 GLU 91 - HA ILE 129 far 0 99 0 - 7.8-9.1 HG2 ARG 90 - HA ILE 129 far 0 83 0 - 7.8-9.3 HB2 GLN 134 - HA ILE 129 far 0 87 0 - 7.9-10.3 HG2 PRO 81 - HA VAL 77 far 0 86 0 - 8.0-9.5 HB ILE 129 - HA VAL 77 far 0 86 0 - 9.1-10.3 HB2 PRO 81 - HA VAL 77 far 0 26 0 - 9.2-9.8 HB2 GLU 91 - HA VAL 77 far 0 83 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 4120 from aliabs.peaks (0.82, 3.45, 66.06 ppm; 3.77 A): 4 out of 12 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 100 100 2.0-2.5 3.2=100 HG13 ILE 80 + HA VAL 77 OK 79 79 100 100 2.7-4.7 2.1/9725=74, 1.8/9728=33...(36) QG2 ILE 80 + HA VAL 77 OK 78 82 95 100 4.1-4.7 3.1/9725=58...(41) QG1 VAL 133 + HA ILE 129 OK 44 92 50 97 3.6-6.8 2.1/10566=62...(19) QG1 VAL 133 - HA VAL 77 far 0 74 0 - 4.9-7.0 QG2 ILE 129 - HA VAL 77 far 0 86 0 - 5.6-6.6 HG13 ILE 80 - HA ILE 129 far 0 96 0 - 7.7-9.0 QG2 ILE 80 - HA ILE 129 far 0 98 0 - 7.8-9.1 QD2 LEU 49 - HA ILE 129 far 0 65 0 - 8.0-11.0 QD1 LEU 70 - HA ILE 129 far 0 96 0 - 8.2-11.3 QD1 LEU 70 - HA VAL 77 far 0 79 0 - 8.3-12.0 QD1 LEU 122 - HA ILE 129 far 0 87 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 4121 from aliabs.peaks (0.75, 3.45, 66.06 ppm; 4.39 A): 2 out of 10 assignments used, quality = 1.00: * HG12 ILE 129 + HA ILE 129 OK 100 100 100 100 2.2-3.4 3.7=100 QD2 LEU 96 + HA ILE 129 OK 51 100 55 93 4.8-6.1 4164/4123=35...(14) QD2 LEU 43 - HA ILE 129 far 0 100 0 - 5.6-6.2 QG1 VAL 93 - HA ILE 129 far 0 100 0 - 6.2-7.2 QG1 VAL 93 - HA VAL 77 far 0 86 0 - 6.6-7.4 QD1 LEU 96 - HA ILE 129 far 0 65 0 - 7.2-8.1 QD2 LEU 43 - HA VAL 77 far 0 86 0 - 7.7-10.0 HG12 ILE 129 - HA VAL 77 far 0 86 0 - 8.0-11.3 QD1 ILE 37 - HA VAL 77 far 0 61 0 - 8.4-10.6 QD2 LEU 96 - HA VAL 77 far 0 86 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 4122 from aliabs.peaks (1.74, 3.45, 66.06 ppm; 5.31 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 129 + HA ILE 129 OK 100 100 100 100 3.1-3.9 3.7=100 HB ILE 80 + HA VAL 77 OK 82 82 100 100 2.6-3.5 3.2/9725=87, 9730=77...(35) HG3 ARG 90 + HA VAL 77 OK 80 84 95 100 4.2-6.6 9651/3.2=89...(32) HG13 ILE 129 - HA VAL 77 far 0 86 0 - 7.0-10.5 HG3 ARG 90 - HA ILE 129 far 0 99 0 - 7.8-9.6 HB ILE 80 - HA ILE 129 far 0 98 0 - 9.0-10.7 HB2 LYS 39 - HA VAL 77 far 0 69 0 - 9.2-11.7 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 2.0-3.6 4.2=91, 4163/3.2=78...(28) QD1 LEU 42 - HA VAL 77 far 4 71 5 - 4.9-6.5 QD1 LEU 42 - HA ILE 129 far 0 89 0 - 5.5-7.0 QD1 LEU 43 - HA ILE 129 far 0 65 0 - 7.2-8.3 QD1 ILE 129 - HA VAL 77 far 0 86 0 - 7.4-8.7 QD1 LEU 43 - HA VAL 77 far 0 50 0 - 9.3-10.6 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 3.6-3.6 3.6=100 H CYS 125 - HA ILE 129 far 0 99 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 4125 from aliabs.peaks (8.47, 3.45, 66.06 ppm; 4.98 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 132 + HA ILE 129 OK 100 100 100 100 3.1-3.8 7909=100, 7917/4126=70...(28) H LEU 70 - HA ILE 129 far 0 99 0 - 9.1-12.0 H VAL 132 - HA VAL 77 far 0 86 0 - 9.2-10.3 H GLU 97 - HA ILE 129 far 0 73 0 - 9.3-10.5 H ASP 47 - HA ILE 129 far 0 92 0 - 9.5-10.9 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 2.8-4.0 4213=100, 2.1/10477=92...(25) HB VAL 132 - HA VAL 77 far 0 86 0 - 6.5-7.7 HB2 PRO 81 - HA VAL 77 far 0 25 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4127 from aliabs.peaks (3.43, 2.00, 37.96 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 126 + HB ILE 129 OK 100 100 100 100 2.7-3.8 4007=100, 10402/3.2=80...(24) HA ILE 129 + HB ILE 129 OK 85 85 100 100 3.0-3.0 3.0=100 HA VAL 77 - HB ILE 129 far 0 92 0 - 9.1-10.3 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 2.4-3.0 3.8=100 H SER 94 - HB ILE 129 far 0 97 0 - 8.1-9.1 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 3.0-3.0 3.0=100 HA VAL 126 + HB ILE 129 OK 85 85 100 100 2.7-3.8 4007=77, 3.2/11618=75...(23) HA LEU 42 - HB ILE 129 far 0 92 0 - 6.7-8.3 HA VAL 77 - HB ILE 129 far 0 100 0 - 9.1-10.3 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): 2 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 OK 40 92 45 96 3.8-7.1 10585/9086=38, ~10566=33...(15) QD2 LEU 49 - HB ILE 129 far 0 65 0 - 5.7-8.8 QD1 LEU 70 - HB ILE 129 far 0 96 0 - 7.3-10.0 QD1 LEU 122 - HB ILE 129 far 0 87 0 - 7.4-10.2 QG2 ILE 80 - HB ILE 129 far 0 98 0 - 9.1-10.8 HG13 ILE 80 - HB ILE 129 far 0 96 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 4132 from aliabs.peaks (0.75, 2.00, 37.96 ppm; 5.10 A): 4 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HB ILE 129 OK 100 100 100 100 2.4-3.0 2.9=100 QD2 LEU 96 + HB ILE 129 OK 100 100 100 100 3.8-4.5 11807/4007=55...(27) QD2 LEU 43 + HB ILE 129 OK 96 100 100 96 4.5-5.6 9129/9086=65...(5) QD1 LEU 96 + HB ILE 129 OK 29 65 45 100 5.3-6.6 ~11454=35, ~4140=33...(28) QG1 VAL 93 - HB ILE 129 far 10 100 10 - 6.0-6.6 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 2.4-2.9 2.9=100 HG3 ARG 90 - HB ILE 129 far 0 99 0 - 8.9-11.5 HG LEU 100 - HB ILE 129 far 0 60 0 - 9.8-11.4 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 40 89 45 100 4.6-5.8 2.1/9086=69, ~10486=61...(12) QD1 LEU 43 - HB ILE 129 far 0 65 0 - 6.4-7.9 QD2 LEU 100 - HB ILE 129 far 0 63 0 - 9.5-11.5 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 2.1-2.5 4.6=100 H CYS 125 - HB ILE 129 far 0 99 0 - 7.2-8.8 H LEU 48 - HB ILE 129 far 0 95 0 - 8.9-10.7 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 3.6-3.8 4.0=100 H SER 94 - QG2 ILE 129 far 0 97 0 - 5.8-7.1 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 7 assignments used, quality = 1.00: * HA ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.0-2.5 3.2=100 HA VAL 126 + QG2 ILE 129 OK 76 85 90 99 3.9-4.8 10402/4163=42...(28) HA VAL 77 + QG2 ILE 80 OK 74 87 85 100 4.1-4.7 9725/3.1=53...(40) HA LEU 42 - QG2 ILE 129 far 0 92 0 - 5.3-6.4 HA VAL 77 - QG2 ILE 129 far 0 100 0 - 5.6-6.6 HA LEU 42 - QG2 ILE 32 far 0 46 0 - 7.1-13.2 HA ILE 129 - QG2 ILE 80 far 0 88 0 - 7.8-9.1 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 17 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 77 87 90 98 3.1-4.6 11168/3.2=31...(30) HB2 PRO 81 - QG2 ILE 80 far 0 27 0 - 4.6-5.0 HB VAL 20 - QG2 ILE 32 far 0 55 0 - 4.8-18.9 HG2 ARG 90 - QG2 ILE 129 far 0 83 0 - 5.8-7.1 HG2 ARG 90 - QG2 ILE 80 far 0 67 0 - 5.9-7.2 QE MET 11 - QG2 ILE 32 far 0 32 0 - 6.8-27.4 HB3 GLU 30 - QG2 ILE 32 far 0 53 0 - 7.1-8.0 HB2 GLN 134 - QG2 ILE 129 far 0 87 0 - 7.2-9.8 HB2 GLU 91 - QG2 ILE 129 far 0 99 0 - 7.7-9.2 HB2 GLU 44 - QG2 ILE 32 far 0 38 0 - 8.6-16.5 HG2 PRO 81 - QG2 ILE 129 far 0 100 0 - 8.7-11.9 HB2 GLU 44 - QG2 ILE 129 far 0 81 0 - 8.7-10.6 HB2 GLN 134 - QG2 ILE 80 far 0 70 0 - 8.8-10.5 HB2 GLU 91 - QG2 ILE 80 far 0 84 0 - 9.0-10.7 HB ILE 129 - QG2 ILE 80 far 0 88 0 - 9.1-10.8 HB3 GLU 40 - QG2 ILE 32 far 0 41 0 - 9.4-15.4 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 15 assignments used, quality = 1.00: * HG12 ILE 129 + QG2 ILE 129 OK 99 100 100 99 2.7-3.2 3.2=79, 2.1/4163=65...(19) QD2 LEU 96 + QG2 ILE 129 OK 66 100 75 88 2.9-4.4 4164/4163=26...(30) QD1 ILE 32 + QG2 ILE 32 OK 37 37 100 100 1.7-1.9 3.0=95, 929/2.1=39...(29) QG1 VAL 93 - QG2 ILE 129 poor 20 100 20 - 3.8-5.0 QD2 LEU 43 - QG2 ILE 129 far 15 100 15 - 3.5-5.1 QD1 ILE 37 - QG2 ILE 32 far 6 37 15 - 3.2-5.3 QD1 LEU 96 - QG2 ILE 129 far 0 65 0 - 4.9-6.3 QD2 LEU 43 - QG2 ILE 80 far 0 87 0 - 7.0-8.9 QD1 ILE 37 - QG2 ILE 129 far 0 78 0 - 8.2-9.4 QG1 VAL 93 - QG2 ILE 80 far 0 87 0 - 8.7-9.6 HG12 ILE 129 - QG2 ILE 80 far 0 88 0 - 8.9-11.7 QD1 ILE 37 - QG2 ILE 80 far 0 62 0 - 9.7-11.5 QD1 LEU 96 - QG2 ILE 32 far 0 30 0 - 9.8-16.4 QD2 LEU 96 - QG2 ILE 80 far 0 87 0 - 9.9-11.1 QD2 LEU 96 - QG2 ILE 32 far 0 55 0 - 9.9-15.6 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 14 assignments used, quality = 1.00: * HG13 ILE 129 + QG2 ILE 129 OK 100 100 100 100 1.9-2.4 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 17 55 30 - 3.9-11.9 HB2 LYS 24 - QG2 ILE 32 far 0 56 0 - 5.2-17.4 HB2 LYS 31 - QG2 ILE 32 far 0 55 0 - 5.4-6.6 HB2 LYS 19 - QG2 ILE 32 far 0 55 0 - 5.5-18.0 HG3 ARG 90 - QG2 ILE 129 far 0 99 0 - 5.7-7.7 HG3 ARG 90 - QG2 ILE 80 far 0 85 0 - 6.6-8.6 HB2 ARG 23 - QG2 ILE 32 far 0 53 0 - 7.2-17.9 HB ILE 80 - QG2 ILE 129 far 0 98 0 - 7.2-8.2 HB2 LYS 39 - QG2 ILE 80 far 0 70 0 - 7.5-9.7 HG13 ILE 129 - QG2 ILE 80 far 0 88 0 - 8.4-11.4 HB2 LYS 39 - QG2 ILE 129 far 0 87 0 - 8.4-9.9 HG LEU 100 - QG2 ILE 129 far 0 60 0 - 8.5-10.1 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 9 assignments used, quality = 1.00: * QD1 ILE 129 + QG2 ILE 129 OK 100 100 100 100 1.9-3.1 4163=100, 2.1/4140=36...(25) QD1 LEU 42 + QG2 ILE 129 OK 76 89 95 90 2.4-3.9 2.1/10486=51, 9083=29...(20) QD1 LEU 43 - QG2 ILE 129 far 0 65 0 - 5.5-6.9 QD1 LEU 42 - QG2 ILE 80 far 0 72 0 - 6.7-8.0 QD1 LEU 43 - QG2 ILE 80 far 0 51 0 - 6.9-9.0 QD1 LEU 42 - QG2 ILE 32 far 0 44 0 - 7.2-10.8 QD1 ILE 129 - QG2 ILE 80 far 0 88 0 - 8.0-9.4 QD2 LEU 100 - QG2 ILE 129 far 0 63 0 - 8.5-10.0 QD2 LEU 100 - QG2 ILE 32 far 0 28 0 - 9.9-18.0 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 2.8-3.8 4.2=91, 7883/2.1=78...(17) H CYS 125 - QG2 ILE 129 far 0 99 0 - 7.8-9.0 H LEU 48 - QG2 ILE 129 far 0 95 0 - 8.6-9.8 H SER 130 - QG2 ILE 80 far 0 88 0 - 9.3-11.0 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 1.6-2.9 4.8=100 H SER 94 - HG12 ILE 129 far 15 97 15 - 6.1-8.1 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 2.2-3.4 3.7=100 HA VAL 126 + HG12 ILE 129 OK 85 85 100 100 1.8-4.9 10402/2.1=73...(26) HA VAL 77 - HG12 ILE 129 far 0 100 0 - 8.0-11.3 HA LEU 42 - HG12 ILE 129 far 0 92 0 - 8.8-10.6 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 3 assignments used, quality = 1.00: * HB ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 91 - HG12 ILE 129 far 0 99 0 - 7.1-10.5 HG2 ARG 90 - HG12 ILE 129 far 0 83 0 - 7.1-11.2 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 2.7-3.2 3.2=100 QG1 VAL 133 - HG12 ILE 129 far 14 92 15 - 4.9-8.8 QD2 LEU 49 - HG12 ILE 129 far 0 65 0 - 5.7-9.4 QD1 LEU 122 - HG12 ILE 129 far 0 87 0 - 6.3-10.6 QD1 LEU 70 - HG12 ILE 129 far 0 96 0 - 7.2-9.9 HG13 ILE 80 - HG12 ILE 129 far 0 96 0 - 8.8-11.6 QG2 ILE 80 - HG12 ILE 129 far 0 98 0 - 8.9-11.7 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 4 assignments used, quality = 1.00: * HG13 ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 90 - HG12 ILE 129 far 0 99 0 - 6.6-11.2 HG LEU 100 - HG12 ILE 129 far 0 60 0 - 8.7-12.0 HB ILE 80 - HG12 ILE 129 far 0 98 0 - 10.0-13.3 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 - 5.4-7.4 QD1 LEU 43 - HG12 ILE 129 far 0 65 0 - 8.2-9.5 QD2 LEU 100 - HG12 ILE 129 far 0 63 0 - 8.8-11.7 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 3.3-4.7 7883/2.9=100...(12) H CYS 125 + HG12 ILE 129 OK 79 99 80 99 5.8-8.7 ~10469=80, ~10379=75...(7) H LEU 48 - HG12 ILE 129 far 0 95 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 4152 from aliabs.peaks (8.00, 1.74, 30.23 ppm; 5.59 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 100 100 3.2-4.1 4.8=100 H SER 94 + HG13 ILE 129 OK 24 97 25 97 5.7-7.4 9220/11317=58...(6) 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 3.1-3.9 3.7=100 HA VAL 126 + HG13 ILE 129 OK 85 85 100 100 1.9-5.0 10402/2.1=68...(26) HA VAL 77 - HG13 ILE 129 far 0 100 0 - 7.0-10.5 HA LEU 42 - HG13 ILE 129 far 0 92 0 - 7.9-9.3 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 3 assignments used, quality = 1.00: * HB ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.4-2.9 2.9=100 HG2 ARG 90 - HG13 ILE 129 far 0 83 0 - 6.4-10.4 HB2 GLU 91 - HG13 ILE 129 far 0 99 0 - 7.6-10.7 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 1.9-2.4 3.2=100 QG1 VAL 133 - HG13 ILE 129 poor 18 92 20 - 4.4-8.7 QD2 LEU 49 - HG13 ILE 129 far 0 65 0 - 5.3-8.9 QD1 LEU 70 - HG13 ILE 129 far 0 96 0 - 5.8-8.8 QD1 LEU 122 - HG13 ILE 129 far 0 87 0 - 5.9-10.1 QG2 ILE 80 - HG13 ILE 129 far 0 98 0 - 8.4-11.4 HG13 ILE 80 - HG13 ILE 129 far 0 96 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 4156 from aliabs.peaks (0.75, 1.74, 30.23 ppm; 4.15 A): 4 out of 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 1.9-3.8 4164/2.1=47, 4140/3.2=31...(27) QG1 VAL 93 + HG13 ILE 129 OK 95 100 95 100 4.0-5.3 ~9967=58, ~10487=56...(26) QD1 LEU 96 + HG13 ILE 129 OK 48 65 75 98 4.0-6.4 ~4164=31, ~11454=28...(26) QD2 LEU 43 - HG13 ILE 129 far 0 100 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 4157 from aliabs.peaks (1.74, 1.74, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 129 + HG13 ILE 129 OK 100 100 - 100 Peak 4158 from aliabs.peaks (0.65, 1.74, 30.23 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HG13 ILE 129 far 4 89 5 - 4.3-6.3 QD2 LEU 100 - HG13 ILE 129 far 0 63 0 - 8.2-11.4 QD1 LEU 43 - HG13 ILE 129 far 0 65 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 4159 from aliabs.peaks (8.03, 1.74, 30.23 ppm; 5.96 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HG13 ILE 129 OK 100 100 100 100 4.2-5.1 7886=100, 4167/2.1=100...(13) H CYS 125 - HG13 ILE 129 far 15 99 15 - 6.8-9.2 H LEU 48 - HG13 ILE 129 far 0 95 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 4160 from aliabs.peaks (8.00, 0.65, 14.48 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + QD1 ILE 129 OK 100 100 100 100 1.9-2.8 7873=100, 7872/2.1=70...(22) H SER 94 + QD1 ILE 129 OK 87 97 90 99 4.5-5.1 3.6/10461=57...(14) 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 2.0-3.6 4123=65, 3.2/4163=62...(27) HA VAL 126 + QD1 ILE 129 OK 85 85 100 100 2.0-3.2 10402=58, 3.2/10489=52...(26) HA VAL 77 - QD1 ILE 129 far 0 100 0 - 7.4-8.7 HA LEU 42 - QD1 ILE 129 far 0 92 0 - 7.9-9.1 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 5 assignments used, quality = 1.00: * HB ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.0-3.2 3.2=100 HG2 ARG 90 - QD1 ILE 129 far 0 83 0 - 6.4-7.7 HB2 GLU 91 - QD1 ILE 129 far 0 99 0 - 6.5-7.6 HB2 GLN 134 - QD1 ILE 129 far 0 87 0 - 8.9-11.4 HB3 LEU 53 - QD1 ILE 129 far 0 98 0 - 9.9-13.4 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 1.9-3.1 3.0=79, 4140/2.1=35...(25) QG1 VAL 133 - QD1 ILE 129 far 0 92 0 - 4.6-7.5 QD1 LEU 70 - QD1 ILE 129 far 0 96 0 - 5.0-7.3 QD2 LEU 49 - QD1 ILE 129 far 0 65 0 - 5.1-8.2 QD1 LEU 122 - QD1 ILE 129 far 0 87 0 - 5.3-7.8 QG2 ILE 80 - QD1 ILE 129 far 0 98 0 - 8.0-9.4 HG13 ILE 80 - QD1 ILE 129 far 0 96 0 - 8.1-9.8 Violated in 4 structures by 0.04 A. Peak 4164 from aliabs.peaks (0.75, 0.65, 14.48 ppm; 2.93 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + QD1 ILE 129 OK 97 100 100 97 1.8-3.0 11806/10461=22...(38) QG1 VAL 93 + QD1 ILE 129 OK 59 100 60 99 3.6-4.0 2.1/10487=52...(34) QD1 LEU 96 - QD1 ILE 129 far 3 65 5 - 3.5-4.8 QD2 LEU 43 - QD1 ILE 129 far 0 100 0 - 6.0-6.8 QD2 LEU 103 - QD1 ILE 129 far 0 95 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 4165 from aliabs.peaks (1.74, 0.65, 14.48 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 90 - QD1 ILE 129 far 0 99 0 - 6.1-8.3 HG LEU 100 - QD1 ILE 129 far 0 60 0 - 7.3-9.1 HB ILE 80 - QD1 ILE 129 far 0 98 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 4166 from aliabs.peaks (0.65, 0.65, 14.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 129 + QD1 ILE 129 OK 100 100 - 100 Peak 4167 from aliabs.peaks (8.03, 0.65, 14.48 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + QD1 ILE 129 OK 100 100 100 100 3.7-4.5 7887=82, 4143/4163=72...(19) H CYS 125 - QD1 ILE 129 far 5 99 5 - 4.9-5.9 H LEU 48 - QD1 ILE 129 far 0 95 0 - 9.0-11.0 Violated in 15 structures by 0.16 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 - 8.7-10.0 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 2.2-2.9 3.0=100 HA GLU 40 - HA SER 130 far 0 97 0 - 7.2-9.0 HB2 SER 50 - HA SER 130 far 0 100 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 4171 from aliabs.peaks (3.77, 3.77, 61.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HA SER 130 + HA SER 130 OK 100 100 - 100 Reference assignment not found: HB3 SER 130 - HA SER 130 Peak 4172 from aliabs.peaks (8.27, 3.77, 61.77 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 43 + HA SER 130 OK 92 92 100 100 4.7-5.6 4.4/11747=94...(16) H GLU 40 - HA SER 130 far 0 92 0 - 8.6-9.5 H VAL 126 - HA SER 130 far 0 99 0 - 8.9-9.6 H LEU 49 - HA SER 130 far 0 63 0 - 9.6-11.3 H LEU 69 - HA SER 130 far 0 68 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4173 from aliabs.peaks (8.14, 3.77, 61.77 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + HA SER 130 OK 100 100 100 100 3.3-3.9 7935/11861=87...(21) 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 2.8-5.3 2.1/11861=87...(14) Violated in 3 structures by 0.02 A. Peak 4175 from aliabs.peaks (3.97, 3.82, 62.38 ppm; 3.29 A): 1 out of 7 assignments used, quality = 0.58: HA SER 50 + HB2 SER 50 OK 58 58 100 100 2.2-2.9 3.0=100 ! HA GLN 127 - HB2 SER 130 far 10 100 10 - 3.1-5.7 HA GLN 127 - HB2 SER 50 far 5 98 5 - 3.9-6.3 HB3 SER 51 - HB2 SER 50 far 5 90 5 - 4.1-7.0 HB2 SER 51 - HB2 SER 50 far 0 64 0 - 5.5-7.2 HB2 SER 124 - HB2 SER 50 far 0 76 0 - 8.6-11.0 HA SER 50 - HB2 SER 130 far 0 63 0 - 8.6-10.9 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 2.2-2.9 3.0=100 HA LEU 43 + HB2 SER 130 OK 99 100 100 99 2.0-4.6 3.9/11720=69...(15) HB3 SER 130 - HB2 SER 50 far 0 98 0 - 6.6-8.3 HA VAL 133 - HB2 SER 130 far 0 100 0 - 7.4-8.4 HA LEU 43 - HB2 SER 50 far 0 97 0 - 8.1-10.3 HA SER 130 - HB2 SER 50 far 0 98 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 4178 from aliabs.peaks (3.82, 3.82, 62.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 130 + HB2 SER 130 OK 100 100 - 100 HB2 SER 50 + HB2 SER 50 OK 97 97 - 100 Peak 4179 from aliabs.peaks (3.77, 3.82, 62.38 ppm; 2.70 A): 3 out of 7 assignments used, quality = 1.00: * HB3 SER 130 + HB2 SER 130 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 130 + HB2 SER 130 OK 90 100 100 90 2.2-2.9 3.0=71, 2.9/7889=29...(11) HA LEU 43 + HB2 SER 130 OK 51 100 85 60 2.0-4.6 3.9/11720=22...(12) HB3 SER 130 - HB2 SER 50 far 0 98 0 - 6.6-8.3 HA VAL 133 - HB2 SER 130 far 0 100 0 - 7.4-8.4 HA LEU 43 - HB2 SER 50 far 0 97 0 - 8.1-10.3 HA SER 130 - HB2 SER 50 far 0 98 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 4181 from aliabs.peaks (3.97, 3.77, 62.38 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.80: * HA GLN 127 + HB3 SER 130 OK 80 100 95 84 2.9-4.9 4038=48, 4036/3.9=36...(7) HA SER 50 - HB3 SER 130 far 0 63 0 - 8.2-10.3 Violated in 11 structures by 0.15 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 - 6.8-9.0 H CYS 125 - HB3 SER 130 far 0 99 0 - 9.0-10.5 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 - 6.6-8.3 HA GLU 40 - HB3 SER 130 far 0 97 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 4185 from aliabs.peaks (3.77, 3.77, 62.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 130 + HB3 SER 130 OK 100 100 - 100 Peak 4186 from aliabs.peaks (8.27, 3.77, 62.38 ppm; 5.32 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 131 + HB3 SER 130 OK 100 100 100 100 2.8-4.0 4.6=100 H LEU 43 + HB3 SER 130 OK 27 92 30 99 5.7-7.4 9190/10508=73...(12) H VAL 126 - HB3 SER 130 far 0 99 0 - 7.2-8.5 H LEU 49 - HB3 SER 130 far 0 63 0 - 7.4-9.9 H LEU 69 - HB3 SER 130 far 0 68 0 - 9.4-12.4 H GLU 40 - HB3 SER 130 far 0 92 0 - 9.9-11.5 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 2.8-2.9 2.9=100 H LEU 43 - HA ASP 131 far 0 92 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 4188 from aliabs.peaks (4.31, 4.31, 56.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 131 + HA ASP 131 OK 100 100 - 100 Peak 4189 from aliabs.peaks (2.77, 4.31, 56.71 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 100 100 2.4-2.7 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 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 4191 from aliabs.peaks (8.47, 4.31, 56.71 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HA ASP 131 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 47 - HA ASP 131 far 0 92 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 4193 from aliabs.peaks (2.02, 4.31, 56.71 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.98: * HB2 GLN 134 + HA ASP 131 OK 97 100 100 97 3.2-5.1 1.8/4194=75, 4266=55...(10) HG3 ARG 135 + HA ASP 131 OK 22 96 35 66 4.0-7.6 11783/4.9=39...(6) HB2 GLN 127 - HA ASP 131 far 0 63 0 - 6.9-9.4 HB ILE 129 - HA ASP 131 far 0 87 0 - 7.1-7.6 HG3 PRO 81 - HA ASP 131 far 0 60 0 - 8.9-14.1 HG2 PRO 81 - HA ASP 131 far 0 93 0 - 9.2-14.7 Violated in 9 structures by 0.11 A. Peak 4194 from aliabs.peaks (2.33, 4.31, 56.71 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.92: * HB3 GLN 134 + HA ASP 131 OK 92 100 95 97 2.2-5.6 1.8/4193=69, 4276=60...(11) HG2 GLU 128 - HA ASP 131 far 0 96 0 - 6.3-8.9 HG2 GLN 127 - HA ASP 131 far 0 93 0 - 7.6-10.1 Violated in 8 structures by 0.27 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 2.3-4.3 4085=98, 4086/1.8=77...(15) HA ALA 34 - HB2 TYR 76 far 0 76 0 - 6.2-10.6 HB3 SER 38 - HB2 TYR 76 far 0 73 0 - 6.6-10.1 HA ALA 88 - HB2 ASP 131 far 0 95 0 - 9.4-10.7 Violated in 6 structures by 0.09 A. Peak 4196 from aliabs.peaks (8.27, 2.77, 40.78 ppm; 5.24 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.2-3.6 3.8=100 H LEU 43 - HB2 TYR 76 far 0 89 0 - 6.6-8.4 H GLU 40 - HB2 TYR 76 far 0 89 0 - 7.3-10.1 H VAL 126 - HB2 ASP 131 far 0 99 0 - 8.7-11.1 H LEU 69 - HB2 TYR 76 far 0 66 0 - 9.3-10.8 H LEU 43 - HB2 ASP 131 far 0 92 0 - 9.6-12.0 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 6 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.4-2.7 3.0=100 HA TYR 76 + HB2 TYR 76 OK 99 99 100 100 2.4-3.0 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 86 0 - 4.9-5.9 HA SER 74 - HB2 TYR 76 far 0 80 0 - 5.6-7.3 HA ASP 47 - HB2 ASP 131 far 0 60 0 - 8.5-11.4 HA LYS 36 - HB2 TYR 76 far 0 71 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 4198 from aliabs.peaks (2.77, 2.77, 40.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB2 ASP 131 OK 100 100 - 100 HB2 TYR 76 + HB2 TYR 76 OK 99 99 - 100 Peak 4199 from aliabs.peaks (2.86, 2.77, 40.78 ppm; 2.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 47 - HB2 ASP 131 far 0 65 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 4200 from aliabs.peaks (8.47, 2.77, 40.78 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 132 + HB2 ASP 131 OK 100 100 100 100 3.3-3.8 7914=100, 7915/1.8=85...(18) H LEU 70 - HB2 TYR 76 far 0 97 0 - 8.8-10.1 H ASP 47 - HB2 ASP 131 far 0 92 0 - 9.2-12.2 H VAL 132 - HB2 TYR 76 far 0 99 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 4201 from aliabs.peaks (4.19, 2.86, 40.78 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HB3 ASP 131 OK 100 100 100 100 2.2-3.8 4086=100, 4195/1.8=75...(15) HA ALA 88 - HB3 ASP 131 far 0 95 0 - 7.8-9.4 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 2.4-2.9 3.8=100 H VAL 126 - HB3 ASP 131 far 0 99 0 - 8.9-10.3 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 2 assignments used, quality = 1.00: * HA ASP 131 + HB3 ASP 131 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASP 47 - HB3 ASP 131 far 0 60 0 - 9.2-11.9 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 2 assignments used, quality = 1.00: * H VAL 132 + HB3 ASP 131 OK 100 100 100 100 2.2-2.9 7915=100, 7914/1.8=88...(24) H ASP 47 - HB3 ASP 131 far 0 92 0 - 9.8-12.2 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 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4208 from aliabs.peaks (3.50, 3.50, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HA VAL 132 OK 100 100 - 100 Peak 4209 from aliabs.peaks (2.28, 3.50, 66.53 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + HA VAL 132 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 81 - HA VAL 132 far 0 33 0 - 9.6-13.5 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 2.1-2.4 3.2=100 QG2 VAL 132 + HA VAL 132 OK 96 96 100 100 2.3-2.7 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 99 0 - 8.1-10.7 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 2.3-2.7 3.2=100 QG1 VAL 132 + HA VAL 132 OK 96 96 100 100 2.1-2.4 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 8.1-10.7 HG3 LYS 39 - HA VAL 132 far 0 81 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 4212 from aliabs.peaks (8.14, 3.50, 66.53 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 133 + HA VAL 132 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 91 - HA VAL 132 far 0 85 0 - 8.7-9.9 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 2.8-4.0 4126=100, 10477/2.1=90...(24) HA VAL 77 - HB VAL 132 far 0 100 0 - 6.5-7.7 HA VAL 126 - HB VAL 132 far 0 85 0 - 8.0-9.2 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 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 96 96 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 far 0 84 0 - 4.1-6.5 HG2 LYS 39 - HB VAL 132 far 0 99 0 - 8.0-9.8 HB3 LEU 62 - HB3 PRO 113 far 0 72 0 - 9.8-14.9 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 6 assignments used, quality = 1.00: * QG2 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 132 + HB VAL 132 OK 96 96 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 far 4 77 5 - 4.1-6.5 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.0-9.8 HG3 LYS 39 - HB VAL 132 far 0 81 0 - 8.1-9.9 HB3 LEU 62 - HB3 PRO 113 far 0 84 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 4220 from aliabs.peaks (8.47, 1.13, 22.78 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG1 VAL 132 OK 100 100 100 100 3.7-3.8 4.0=100 H VAL 132 + QG2 VAL 132 OK 72 72 100 100 1.8-2.3 4.0=100 H GLU 97 - QG2 VAL 132 far 0 46 0 - 9.7-10.4 H ASP 47 - QG2 VAL 132 far 0 61 0 - 9.7-10.9 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 2.1-2.4 3.2=100 HA VAL 132 + QG2 VAL 132 OK 72 72 100 100 2.3-2.7 3.2=100 HA LEU 42 - QG2 VAL 132 far 0 36 0 - 9.7-11.0 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 - 7.8-10.1 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): 4 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 132 OK 100 100 100 100 3.0-4.1 4.2=100 H VAL 133 + QG2 VAL 132 OK 72 72 100 100 3.3-3.8 4.4=100 H GLU 91 + QG1 VAL 132 OK 35 85 50 81 5.1-6.2 7229/10539=27...(9) H GLU 91 + QG2 VAL 132 OK 31 55 65 87 5.2-6.1 9902/9947=46...(8) Violated in 0 structures by 0.00 A. Peak 4226 from aliabs.peaks (8.47, 1.14, 23.00 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG2 VAL 132 OK 100 100 100 100 1.8-2.3 7917/2.1=63, 4.0=52...(30) H VAL 132 + QG1 VAL 132 OK 72 72 100 99 3.7-3.8 7917/2.1=63, 4.0=54...(26) H GLU 97 - QG2 VAL 132 far 0 73 0 - 9.7-10.4 H ASP 47 - QG2 VAL 132 far 0 92 0 - 9.7-10.9 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 2.3-2.7 3.2=86, 3.0/4226=29...(22) HA VAL 132 + QG1 VAL 132 OK 71 72 100 99 2.1-2.4 3.2=85, 3.0/7919=22...(21) HA LEU 42 - QG2 VAL 132 far 0 60 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 4228 from aliabs.peaks (2.28, 1.14, 23.00 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 132 + QG2 VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 132 + QG1 VAL 132 OK 72 72 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG2 VAL 132 far 0 33 0 - 9.8-12.6 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 3.3-3.8 7929/2.1=75, 4.4=74...(30) H VAL 133 + QG1 VAL 132 OK 72 72 100 100 3.0-4.1 4.2=81, 7929/2.1=75...(26) H GLU 91 - QG1 VAL 132 far 0 55 0 - 5.1-6.2 H GLU 91 - QG2 VAL 132 far 0 85 0 - 5.2-6.1 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 2.2-3.0 3.0=100 HB2 PRO 81 - HA VAL 133 far 0 93 0 - 5.6-10.6 HB2 GLN 82 - HA VAL 133 far 0 87 0 - 6.2-9.8 Violated in 0 structures by 0.00 A. Peak 4235 from aliabs.peaks (0.84, 3.77, 64.98 ppm; 3.61 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 133 + HA VAL 133 OK 100 100 100 100 2.1-3.1 3.2=100 HG13 ILE 80 + HA VAL 133 OK 51 65 80 98 3.3-5.6 2.1/9726=56, ~10588=27...(25) QG2 ILE 80 + HA VAL 133 OK 25 73 35 96 3.5-5.4 3.1/9726=44...(30) QG2 ILE 129 - HA VAL 133 far 0 92 0 - 4.6-6.5 QD2 LEU 69 - HA VAL 133 far 0 65 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 4236 from aliabs.peaks (1.04, 3.77, 64.98 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HA VAL 133 OK 100 100 100 100 2.5-3.1 3.2=100 QG1 VAL 77 - HA VAL 133 far 0 95 0 - 8.1-9.5 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 2.7-3.6 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 5 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 130 + HB VAL 133 OK 84 100 85 99 2.8-5.3 11861/2.1=60...(14) HA LEU 43 - HB VAL 133 far 0 98 0 - 5.1-7.8 HB3 SER 130 - HB VAL 133 far 0 100 0 - 5.6-8.1 HA THR 83 - HB VAL 133 far 0 65 0 - 9.0-12.4 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): 2 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 HG13 ILE 80 + HB VAL 133 OK 23 65 35 100 3.8-6.9 ~10588=42, ~10588=38...(29) QG2 ILE 129 - HB VAL 133 poor 18 92 20 - 3.7-6.1 QG2 ILE 80 - HB VAL 133 far 4 73 5 - 4.2-7.7 QD2 LEU 69 - HB VAL 133 far 0 65 0 - 7.7-10.8 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 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 4245 from aliabs.peaks (8.14, 0.84, 22.12 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 133 OK 100 100 100 100 1.7-3.8 4.0=100 H GLU 91 - QG1 VAL 133 far 0 85 0 - 8.0-10.5 H ASP 71 - QG1 VAL 133 far 0 99 0 - 9.7-11.8 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 2.1-3.1 3.2=100 HA SER 130 + QG1 VAL 133 OK 53 100 55 97 1.8-4.6 11747/11777=39...(23) HA LEU 43 - QG1 VAL 133 far 10 98 10 - 3.7-5.8 HB3 SER 130 - QG1 VAL 133 far 0 100 0 - 4.3-7.0 HA THR 83 - QG1 VAL 133 far 0 65 0 - 7.9-11.0 Violated in 0 structures by 0.00 A. Peak 4247 from aliabs.peaks (2.19, 0.84, 22.12 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG1 VAL 133 far 5 93 5 - 3.9-11.3 HB2 GLN 82 - QG1 VAL 133 far 0 87 0 - 6.7-10.5 HG2 GLU 91 - QG1 VAL 133 far 0 81 0 - 8.0-11.1 HG2 GLN 68 - QG1 VAL 133 far 0 68 0 - 9.8-13.6 HB2 GLN 68 - QG1 VAL 133 far 0 60 0 - 9.9-13.4 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 2.0-2.1 2.1=100 QG1 VAL 77 - QG1 VAL 133 far 0 95 0 - 6.6-7.7 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 2.4-4.1 4.3=100 H LEU 42 + QG1 VAL 133 OK 100 100 100 100 5.0-6.6 1331/10585=93...(10) 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 3 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 133 OK 100 100 100 100 1.8-3.6 7935=100, 7933/2.1=65...(26) H GLU 91 - QG2 VAL 133 far 0 85 0 - 8.1-11.2 H ASP 71 - QG2 VAL 133 far 0 99 0 - 9.7-12.0 Violated in 2 structures by 0.01 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 99 100 100 99 2.5-3.1 3.2=84, 3.0/7935=44...(15) HA SER 130 + QG2 VAL 133 OK 94 100 100 94 1.9-3.6 11747/11776=31, 11861=31...(21) HA LEU 43 - QG2 VAL 133 far 5 98 5 - 3.9-4.9 HB3 SER 130 - QG2 VAL 133 far 0 100 0 - 4.2-5.9 HA THR 83 - QG2 VAL 133 far 0 65 0 - 8.6-11.7 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 - 5.7-10.9 HB2 GLN 82 - QG2 VAL 133 far 0 87 0 - 7.6-11.1 HG2 GLU 91 - QG2 VAL 133 far 0 81 0 - 8.2-10.8 HG2 GLN 68 - QG2 VAL 133 far 0 68 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 4254 from aliabs.peaks (0.84, 1.04, 23.71 ppm; 2.73 A): 2 out of 7 assignments used, quality = 1.00: * QG1 VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 129 + QG2 VAL 133 OK 41 92 50 90 2.5-5.0 10486/10587=29...(21) HG13 ILE 80 - QG2 VAL 133 far 0 65 0 - 4.1-6.8 QG2 ILE 80 - QG2 VAL 133 far 0 73 0 - 5.1-6.9 QD2 LEU 69 - QG2 VAL 133 far 0 65 0 - 5.3-8.8 QD1 LEU 70 - QG2 VAL 133 far 0 65 0 - 8.3-12.0 QD2 LEU 70 - QG2 VAL 133 far 0 87 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 4255 from aliabs.peaks (1.04, 1.04, 23.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + QG2 VAL 133 OK 100 100 - 100 Peak 4256 from aliabs.peaks (7.49, 1.04, 23.71 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 134 + QG2 VAL 133 OK 100 100 100 100 2.2-3.9 4.4=100 H LEU 42 + QG2 VAL 133 OK 35 100 35 99 4.4-6.3 1331/10587=68...(10) 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 11 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 poor 19 96 20 - 5.1-7.2 HG2 PRO 81 - HA GLN 134 far 14 93 15 - 4.9-11.0 HG3 PRO 81 - HA GLN 134 poor 13 60 50 43 4.2-10.9 10574/11761=34...(4) HB2 PRO 81 - HA GLN 134 far 0 48 0 - 6.0-13.2 HB2 GLN 127 - HA ASP 47 far 0 38 0 - 6.2-8.8 HB2 GLU 44 - HA ASP 47 far 0 72 0 - 7.5-8.4 HB3 LEU 53 - HA ASP 47 far 0 40 0 - 7.7-9.5 HB ILE 129 - HA ASP 47 far 0 56 0 - 7.7-9.2 HB3 GLU 40 - HA GLN 134 far 0 100 0 - 8.8-12.2 HB ILE 129 - HA GLN 134 far 0 87 0 - 9.7-11.0 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 4 assignments used, quality = 1.00: * HB3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 127 - HA ASP 47 lone 5 63 60 14 3.7-5.9 11609/1596=13 HG2 GLU 44 - HA ASP 47 far 0 64 0 - 7.1-9.3 HG3 GLN 68 - HA ASP 47 far 0 67 0 - 9.1-11.0 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 2.3-4.1 4287=84, 1.8/4262=77...(19) HG2 GLN 134 - HA ASP 47 far 0 73 0 - 8.4-11.5 Violated in 5 structures by 0.04 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 2.1-4.1 4.1=100 HG3 PRO 81 - HA GLN 134 poor 8 65 50 25 4.2-10.9 10574/11761=16...(3) HB3 LYS 39 - HA GLN 134 far 5 100 5 - 5.1-8.1 HB2 PRO 81 - HA GLN 134 far 0 88 0 - 6.0-13.2 HB3 GLN 82 - HA GLN 134 far 0 95 0 - 6.1-12.4 HB2 GLN 127 - HA ASP 47 far 0 38 0 - 6.2-8.8 HB3 GLU 44 - HA ASP 47 far 0 72 0 - 7.4-8.5 HG3 GLN 134 - HA ASP 47 far 0 73 0 - 9.0-12.6 HB2 GLU 128 - HA ASP 47 far 0 72 0 - 9.9-12.3 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 3.2-5.1 4194/1.8=96, 4193=83...(11) 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 - 9.9-13.3 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 2.7-3.0 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 2.3-3.0 2.9=100 HG3 PRO 81 - HB2 GLN 134 far 0 65 0 - 6.8-13.0 HB3 LYS 39 - HB2 GLN 134 far 0 100 0 - 7.3-9.6 HB2 PRO 81 - HB2 GLN 134 far 0 88 0 - 8.6-15.4 HB3 GLN 82 - HB2 GLN 134 far 0 95 0 - 8.6-14.0 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 2.2-5.6 4194=100, 4193/1.8=82...(11) HA PRO 81 - HB3 GLN 134 far 0 85 0 - 9.6-15.9 Violated in 2 structures by 0.02 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 2.3-3.0 3.0=100 HA PRO 81 - HB3 GLN 134 far 0 68 0 - 9.6-15.9 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 5 96 5 - 4.4-8.6 HG3 PRO 81 - HB3 GLN 134 far 0 60 0 - 5.8-12.9 HG2 PRO 81 - HB3 GLN 134 far 0 93 0 - 6.6-13.3 HB2 PRO 81 - HB3 GLN 134 far 0 48 0 - 7.5-15.4 HB ILE 129 - HB3 GLN 134 far 0 87 0 - 8.2-10.5 HB3 GLU 40 - HB3 GLN 134 far 0 100 0 - 8.9-12.5 HB2 GLN 127 - HB3 GLN 134 far 0 63 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 4280 from aliabs.peaks (2.33, 2.33, 30.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 134 + HB3 GLN 134 OK 100 100 - 100 Peak 4281 from aliabs.peaks (2.65, 2.33, 30.42 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4282 from aliabs.peaks (2.08, 2.33, 30.42 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 PRO 81 - HB3 GLN 134 far 0 65 0 - 5.8-12.9 HB3 LYS 39 - HB3 GLN 134 far 0 100 0 - 6.4-9.6 HB2 PRO 81 - HB3 GLN 134 far 0 88 0 - 7.5-15.4 HB3 GLN 82 - HB3 GLN 134 far 0 95 0 - 8.2-13.8 HB2 GLN 127 - HB3 GLN 134 far 0 63 0 - 9.3-13.0 HB2 GLU 128 - HB3 GLN 134 far 0 100 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4287 from aliabs.peaks (4.35, 2.65, 35.98 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.3-4.1 4.1=100 HA ASP 47 - HG2 GLN 134 far 0 90 0 - 8.4-11.5 Violated in 1 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 2.7-3.0 2.9=100 HG3 ARG 135 - HG2 GLN 134 far 5 96 5 - 4.3-9.1 HG3 PRO 81 - HG2 GLN 134 far 0 60 0 - 6.7-12.9 HG2 PRO 81 - HG2 GLN 134 far 0 93 0 - 7.2-13.0 HB ILE 129 - HG2 GLN 134 far 0 87 0 - 7.5-9.7 HB2 GLN 127 - HG2 GLN 134 far 0 63 0 - 8.8-12.9 HB2 PRO 81 - HG2 GLN 134 far 0 48 0 - 8.9-15.0 HB3 GLU 40 - HG2 GLN 134 far 0 100 0 - 8.9-12.9 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 2.2-3.0 2.9=100 HG2 GLU 128 - HG2 GLN 134 far 0 96 0 - 7.8-12.8 HG2 GLN 127 - HG2 GLN 134 far 0 93 0 - 8.6-11.7 HG2 GLU 44 - HG2 GLN 134 far 0 95 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 4290 from aliabs.peaks (2.65, 2.65, 35.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG2 GLN 134 OK 100 100 - 100 Peak 4291 from aliabs.peaks (2.08, 2.65, 35.98 ppm; 3.47 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HG2 GLN 134 far 0 100 0 - 5.7-9.5 HG3 PRO 81 - HG2 GLN 134 far 0 65 0 - 6.7-12.9 HB3 GLN 82 - HG2 GLN 134 far 0 95 0 - 8.7-14.5 HB2 GLN 127 - HG2 GLN 134 far 0 63 0 - 8.8-12.9 HB2 PRO 81 - HG2 GLN 134 far 0 88 0 - 8.9-15.0 HB2 GLU 128 - HG2 GLN 134 far 0 100 0 - 9.5-12.5 HB3 GLU 44 - HG2 GLN 134 far 0 100 0 - 9.6-12.8 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 2.1-4.1 4262=100, 4261/1.8=80...(18) HA ASP 47 - HG3 GLN 134 far 0 90 0 - 9.0-12.6 Violated in 1 structures by 0.00 A. Peak 4297 from aliabs.peaks (2.02, 2.08, 35.98 ppm; 4.74 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 135 - HG3 GLN 134 poor 19 96 20 - 3.7-8.9 HG3 PRO 81 - HG3 GLN 134 far 0 60 0 - 6.4-13.7 HB ILE 129 - HG3 GLN 134 far 0 87 0 - 7.2-10.4 HG2 PRO 81 - HG3 GLN 134 far 0 93 0 - 7.3-13.8 HB3 GLU 40 - HG3 GLN 134 far 0 100 0 - 8.2-12.9 HB2 PRO 81 - HG3 GLN 134 far 0 48 0 - 8.4-15.8 HB2 GLN 127 - HG3 GLN 134 far 0 63 0 - 9.2-12.6 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 - 8.1-13.4 HG2 GLU 44 - HG3 GLN 134 far 0 95 0 - 8.9-13.4 HG2 GLN 127 - HG3 GLN 134 far 0 93 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 4299 from aliabs.peaks (2.65, 2.08, 35.98 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4300 from aliabs.peaks (2.08, 2.08, 35.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 134 + HG3 GLN 134 OK 100 100 - 100 Peak 4305 from aliabs.peaks (4.02, 4.02, 58.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HA ARG 135 OK 100 100 - 100 HA GLN 68 + HA GLN 68 OK 64 64 - 100 Peak 4306 from aliabs.peaks (1.89, 4.02, 58.76 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 36 - HA GLN 68 far 0 74 0 - 7.3-13.7 HB3 ARG 84 - HA ARG 135 far 0 92 0 - 8.3-11.4 HB3 LEU 49 - HA GLN 68 far 0 44 0 - 8.5-12.0 HB3 LEU 48 - HA GLN 68 far 0 74 0 - 9.1-12.6 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 7 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 32 - HA GLN 68 far 0 73 0 - 6.3-16.2 HB2 ARG 84 - HA ARG 135 far 0 98 0 - 8.3-12.0 HB2 LEU 100 - HA GLN 68 far 0 75 0 - 8.7-10.3 HB2 LYS 36 - HA GLN 68 far 0 75 0 - 8.8-12.6 HB3 ARG 23 - HA GLN 68 far 0 75 0 - 8.9-31.9 HB3 LYS 24 - HA GLN 68 far 0 75 0 - 9.2-32.1 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 5 assignments used, quality = 1.00: * HG2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.4-3.8 4329=93, 1.8/4309=80...(15) HB2 LEU 70 - HA GLN 68 far 0 75 0 - 5.2-6.8 HB3 LEU 70 - HA GLN 68 far 0 67 0 - 5.4-7.5 HD2 LYS 39 - HA ARG 135 far 0 76 0 - 6.7-12.1 HD3 LYS 39 - HA ARG 135 far 0 96 0 - 7.5-10.8 Violated in 7 structures by 0.03 A. Peak 4309 from aliabs.peaks (2.03, 4.02, 58.76 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.7-4.2 1.8/4308=80, 4.2=63...(14) HB2 GLN 134 - HA ARG 135 poor 19 96 30 67 4.2-5.1 ~7975=28, 7974/3.0=25...(5) HG2 PRO 81 - HA ARG 135 far 0 68 0 - 6.6-11.4 HG3 PRO 81 - HA ARG 135 far 0 89 0 - 6.8-10.7 QE MET 11 - HA GLN 68 far 0 74 0 - 8.4-37.3 HB2 PRO 81 - HA ARG 135 far 0 58 0 - 8.6-13.6 HB VAL 63 - HA GLN 68 far 0 69 0 - 9.1-10.6 HB3 MET 11 - HA GLN 68 far 0 55 0 - 9.5-41.3 Violated in 12 structures by 0.12 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 2.0-4.6 4345=100, 3.0/4308=82...(18) HE2 LYS 39 - HA ARG 135 far 5 100 5 - 4.7-10.8 HE3 LYS 39 - HA ARG 135 far 0 100 0 - 5.9-12.1 HB2 CYS 45 - HA GLN 68 far 0 71 0 - 6.1-7.5 Violated in 7 structures by 0.03 A. Peak 4311 from aliabs.peaks (3.23, 4.02, 58.76 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.4-5.1 4353=100, 3.0/4308=85...(17) Violated in 3 structures by 0.06 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 2.6-3.0 3.0=100 HD3 PRO 81 - HB2 ARG 135 far 0 85 0 - 5.5-9.3 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 - 5.9-9.7 HB2 LYS 86 - HB2 ARG 135 far 0 73 0 - 9.1-12.0 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 - 7.6-10.6 HD2 LYS 39 - HB2 ARG 135 far 0 76 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 4317 from aliabs.peaks (2.03, 1.89, 30.87 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 PRO 81 - HB2 ARG 135 far 10 68 15 - 4.5-9.2 HG3 PRO 81 - HB2 ARG 135 far 4 89 5 - 4.4-8.3 HB2 GLN 134 - HB2 ARG 135 far 0 96 0 - 5.9-6.8 HB2 PRO 81 - HB2 ARG 135 far 0 58 0 - 7.0-11.1 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 4 assignments used, quality = 1.00: * HD2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 39 - HB2 ARG 135 far 0 100 0 - 5.7-11.2 HE3 LYS 39 - HB2 ARG 135 far 0 100 0 - 6.4-12.4 HE3 LYS 86 - HB2 ARG 135 far 0 60 0 - 8.2-13.7 Violated in 3 structures by 0.01 A. Peak 4319 from aliabs.peaks (3.23, 1.89, 30.87 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 3.0-4.2 3.7=100 HB2 PHE 87 - HB2 ARG 135 far 0 99 0 - 8.8-10.9 HB3 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.8-11.7 Violated in 6 structures by 0.05 A. Peak 4321 from aliabs.peaks (4.02, 1.82, 30.87 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 20 - HB3 ARG 23 poor 19 51 50 75 3.6-8.9 11783/6204=37...(16) HD3 PRO 81 - HB3 ARG 135 far 0 85 0 - 6.8-10.7 HA LYS 95 - HB VAL 93 far 0 51 0 - 7.3-7.7 HA GLN 68 - HB3 ARG 23 far 0 75 0 - 8.9-31.9 HA LEU 122 - HB VAL 93 far 0 35 0 - 9.6-10.9 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 3 assignments used, quality = 1.00: * HB2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 - HB VAL 93 far 5 32 15 - 4.1-5.2 HB3 ARG 84 - HB3 ARG 135 far 0 92 0 - 5.9-9.3 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 HB3 LEU 70 - HB VAL 93 poor 16 46 35 - 4.9-9.2 HB2 LEU 70 - HB VAL 93 far 3 52 5 - 6.1-9.6 HG LEU 98 - HB VAL 93 far 0 50 0 - 8.1-9.9 HD2 LYS 39 - HB3 ARG 135 far 0 76 0 - 8.6-13.3 HD3 LYS 39 - HB3 ARG 135 far 0 96 0 - 9.1-12.0 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 9 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 90 - HB VAL 93 poor 12 49 25 - 4.4-5.8 HG2 PRO 81 - HB3 ARG 135 far 3 68 5 - 4.4-10.3 HG3 PRO 81 - HB3 ARG 135 far 0 89 0 - 5.0-9.3 HB2 GLN 134 - HB3 ARG 135 far 0 96 0 - 6.2-7.2 QE MET 11 - HB3 ARG 23 far 0 86 0 - 6.7-24.5 HB3 GLU 91 - HB VAL 93 far 0 53 0 - 6.7-7.6 HB2 PRO 81 - HB3 ARG 135 far 0 58 0 - 6.9-12.3 HB3 GLU 30 - HB3 ARG 23 far 0 62 0 - 7.1-18.3 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 8 assignments used, quality = 1.00: * HD2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 3.3-3.7 3.7=100 HE2 LYS 24 - HB3 ARG 23 far 8 51 15 - 4.3-10.0 HE3 LYS 24 - HB3 ARG 23 far 6 64 10 - 4.8-9.8 HE3 LYS 31 - HB3 ARG 23 far 0 51 0 - 5.9-19.8 HE2 LYS 39 - HB3 ARG 135 far 0 100 0 - 6.4-12.5 HE3 LYS 39 - HB3 ARG 135 far 0 100 0 - 7.5-13.7 HE3 LYS 86 - HB VAL 93 far 0 25 0 - 8.2-12.0 HE3 LYS 86 - HB3 ARG 135 far 0 60 0 - 9.4-14.5 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 4 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 PHE 87 - HB3 ARG 135 far 0 99 0 - 9.1-11.5 HB3 PHE 87 - HB VAL 93 far 0 53 0 - 9.6-10.2 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 2.4-3.8 4308=100, 4309/1.8=87...(15) HD3 PRO 81 - HG2 ARG 135 far 0 85 0 - 6.9-11.2 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 - 6.5-11.0 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 - 5.6-9.9 HB2 LYS 86 - HG2 ARG 135 far 0 73 0 - 8.9-13.2 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 6 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 - 4.5-7.8 HG2 PRO 81 - HG2 ARG 135 far 0 68 0 - 5.2-11.3 HG3 PRO 81 - HG2 ARG 135 far 0 89 0 - 6.2-10.2 HB2 PRO 81 - HG2 ARG 135 far 0 58 0 - 8.0-13.0 HB2 GLN 127 - HG2 ARG 135 far 0 90 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 4334 from aliabs.peaks (2.92, 1.70, 27.30 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 - HG2 ARG 135 far 0 100 0 - 6.0-11.7 HE3 LYS 39 - HG2 ARG 135 far 0 100 0 - 7.4-12.8 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 3 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 87 - HG2 ARG 135 far 0 99 0 - 8.5-12.6 HB3 PHE 87 - HG2 ARG 135 far 0 100 0 - 8.6-12.8 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 2.7-4.2 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 - 6.3-8.1 HD3 PRO 81 - HG3 ARG 135 far 0 85 0 - 6.7-11.1 HA ARG 135 - HG3 PRO 81 far 0 70 0 - 6.8-10.7 HA LEU 103 - HG2 PRO 117 far 0 61 0 - 6.9-9.2 HB3 SER 99 - HG3 PRO 117 far 0 44 0 - 7.9-9.8 HA LEU 119 - HG2 PRO 117 far 0 58 0 - 7.9-8.8 HA LEU 103 - HG3 PRO 117 far 0 61 0 - 8.3-10.7 HA LEU 119 - HG3 PRO 117 far 0 58 0 - 9.2-10.0 HA LEU 122 - HG2 PRO 117 far 0 41 0 - 9.7-11.1 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 6 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 135 - HG3 PRO 81 far 0 70 0 - 4.4-8.3 HB3 ARG 84 - HG3 ARG 135 far 0 92 0 - 5.5-10.0 HB3 LEU 119 - HG2 PRO 117 far 0 50 0 - 7.0-9.5 HB3 LEU 119 - HG3 PRO 117 far 0 50 0 - 7.8-10.3 HB3 ARG 84 - HG3 PRO 81 far 0 58 0 - 7.8-11.3 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 2.3-3.0 2.9=100 HB3 ARG 135 - HG3 PRO 81 far 0 70 0 - 5.0-9.3 HB2 ARG 84 - HG3 ARG 135 far 0 98 0 - 5.1-10.8 HB3 LEU 103 - HG2 PRO 117 far 0 36 0 - 7.4-10.7 HB2 CYS 79 - HG3 PRO 81 far 0 62 0 - 7.5-8.1 HB2 ARG 84 - HG3 PRO 81 far 0 65 0 - 7.8-10.9 HB2 LYS 86 - HG3 PRO 81 far 0 44 0 - 8.3-10.6 HB3 LEU 122 - HG2 PRO 117 far 0 31 0 - 8.6-10.5 HB3 LEU 103 - HG3 PRO 117 far 0 36 0 - 8.8-12.4 HB2 LYS 86 - HG3 ARG 135 far 0 73 0 - 9.0-12.4 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 9 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 - 3.8-12.9 HD2 LYS 39 - HG3 PRO 81 far 0 45 0 - 5.1-11.6 HG2 ARG 135 - HG3 PRO 81 far 0 70 0 - 6.2-10.2 HD2 LYS 39 - HG3 ARG 135 far 0 76 0 - 8.3-14.1 HD3 LYS 39 - HG3 ARG 135 far 0 96 0 - 8.3-12.6 HG LEU 98 - HG2 PRO 117 far 0 58 0 - 8.5-14.5 HB2 LEU 43 - HG3 PRO 81 far 0 69 0 - 9.1-15.9 HG LEU 98 - HG3 PRO 117 far 0 58 0 - 9.9-16.2 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): 2 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 OK 32 59 55 100 3.8-6.6 10239/2.3=51, ~10240=38...(31) HE3 LYS 39 - HG3 PRO 81 poor 17 69 25 - 2.8-12.3 HE2 LYS 39 - HG3 PRO 81 poor 9 69 30 42 3.4-11.7 10577/10574=24...(9) HB3 ASN 116 - HG3 PRO 117 far 3 59 5 - 4.7-7.0 HD2 ARG 135 - HG3 PRO 81 far 0 70 0 - 5.1-12.4 HE3 LYS 86 - HG3 PRO 81 far 0 35 0 - 5.8-11.4 HE2 LYS 39 - HG3 ARG 135 far 0 100 0 - 6.6-12.9 HE3 LYS 39 - HG3 ARG 135 far 0 100 0 - 7.1-14.3 HE3 LYS 86 - HG3 ARG 135 far 0 60 0 - 9.5-14.1 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 7 assignments used, quality = 1.00: * HD3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 135 - HG3 PRO 81 far 0 70 0 - 5.4-12.0 HB2 PHE 87 - HG3 ARG 135 far 0 99 0 - 7.8-11.1 HB3 HIS 4 - HG3 PRO 117 far 0 61 0 - 8.2-77.4 HB3 PHE 87 - HG3 ARG 135 far 0 100 0 - 8.4-11.5 HB3 HIS 4 - HG2 PRO 117 far 0 61 0 - 8.4-75.7 HB2 HIS 5 - HG2 PRO 117 far 0 61 0 - 9.7-71.1 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 2.0-4.6 4310=96, 4308/3.0=80...(18) HD3 PRO 81 - HD2 ARG 135 far 0 85 0 - 6.8-13.3 Violated in 8 structures by 0.05 A. Peak 4346 from aliabs.peaks (1.89, 2.92, 44.19 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.3-4.2 3.7=100 HB3 ARG 84 - HD2 ARG 135 far 0 92 0 - 6.4-11.1 Violated in 13 structures by 0.11 A. Peak 4347 from aliabs.peaks (1.82, 2.92, 44.19 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 3.3-3.7 3.7=100 HB2 ARG 84 - HD2 ARG 135 far 0 98 0 - 4.7-11.3 HB2 LYS 86 - HD2 ARG 135 far 0 73 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 4348 from aliabs.peaks (1.70, 2.92, 44.19 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 39 - HD2 ARG 135 far 0 96 0 - 8.7-12.7 HD2 LYS 39 - HD2 ARG 135 far 0 76 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 4349 from aliabs.peaks (2.03, 2.92, 44.19 ppm; 3.79 A): 1 out of 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 5 96 5 - 4.7-8.5 HG2 PRO 81 - HD2 ARG 135 far 3 68 5 - 4.6-13.4 HG3 PRO 81 - HD2 ARG 135 far 0 89 0 - 5.1-12.4 HB2 PRO 81 - HD2 ARG 135 far 0 58 0 - 7.1-15.2 HB2 GLN 127 - HD2 ARG 135 far 0 90 0 - 8.8-14.5 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 3 assignments used, quality = 1.00: * HD3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 87 - HD2 ARG 135 far 0 99 0 - 7.7-12.4 HB3 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 4353 from aliabs.peaks (4.02, 3.23, 44.19 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.4-5.1 4311=88, 4308/3.0=81...(17) HD3 PRO 81 - HD3 ARG 135 far 0 85 0 - 7.1-12.8 Violated in 5 structures by 0.09 A. Peak 4354 from aliabs.peaks (1.89, 3.23, 44.19 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 3.0-4.2 3.7=100 HB3 ARG 84 - HD3 ARG 135 far 0 92 0 - 6.1-11.3 Violated in 7 structures by 0.12 A. Peak 4355 from aliabs.peaks (1.82, 3.23, 44.19 ppm; 3.78 A): 1 out of 2 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 5 98 5 - 4.5-12.2 Violated in 2 structures by 0.04 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 2.3-3.0 3.0=100 HD3 LYS 39 - HD3 ARG 135 far 0 96 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4357 from aliabs.peaks (2.03, 3.23, 44.19 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 134 - HD3 ARG 135 far 5 96 5 - 4.6-9.0 HG2 PRO 81 - HD3 ARG 135 far 3 68 5 - 4.4-12.8 HG3 PRO 81 - HD3 ARG 135 far 0 89 0 - 5.4-12.0 HB2 PRO 81 - HD3 ARG 135 far 0 58 0 - 7.0-14.8 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 4 assignments used, quality = 1.00: * HD2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 39 - HD3 ARG 135 far 0 100 0 - 7.6-13.6 HE3 LYS 39 - HD3 ARG 135 far 0 100 0 - 8.3-14.8 HE3 LYS 86 - HD3 ARG 135 far 0 60 0 - 9.7-15.1 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 2.1-3.3 4.7=100 HA SER 99 - HD2 HIS 67 far 0 89 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 5502 from aliabs.peaks (3.34, 7.16, 118.77 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.9-4.0 4.0=100 HA VAL 63 + HD2 HIS 67 OK 83 83 100 100 4.4-7.2 3.2/9406=97...(8) HB3 TYR 72 - HD2 HIS 67 far 0 100 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 5503 from aliabs.peaks (3.41, 7.16, 118.77 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 HA VAL 126 - HD2 HIS 67 far 0 63 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 5504 from aliabs.peaks (7.16, 7.16, 118.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 67 + HD2 HIS 67 OK 100 100 - 100 Peak 5508 from aliabs.peaks (4.54, 7.14, 131.84 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + QD TYR 72 OK 100 100 100 100 1.9-2.8 3.4=100 HA SER 38 - QD TYR 72 far 0 100 0 - 5.6-7.6 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 2.5-2.8 2.7=100 Violated in 0 structures by 0.00 A. Peak 5510 from aliabs.peaks (3.34, 7.14, 131.84 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.5 2.7=100 HB2 HIS 67 - QD TYR 72 far 0 100 0 - 7.5-9.3 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 - 4.7-7.4 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 - 8.6-11.4 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 2.3-2.6 2.6=100 HB2 CYS 73 + QD TYR 76 OK 71 71 100 100 4.4-6.4 3.0/11126=88, ~11160=68...(16) Violated in 0 structures by 0.00 A. Peak 5517 from aliabs.peaks (3.13, 6.50, 133.03 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.6 2.6=100 HD3 ARG 90 - QD TYR 76 far 3 57 5 - 6.1-9.7 HB3 CYS 45 - QD TYR 76 far 0 90 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 5518 from aliabs.peaks (6.50, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QD TYR 76 OK 100 100 - 100 Peak 5519 from aliabs.peaks (6.48, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: QD TYR 76 + QD TYR 76 OK 71 71 - 100 Reference assignment not found: QE TYR 76 - QD TYR 76 Peak 5520 from aliabs.peaks (6.50, 6.48, 116.85 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: QE TYR 76 + QE TYR 76 OK 71 71 - 100 Reference assignment not found: QD TYR 76 - QE TYR 76 Peak 5521 from aliabs.peaks (6.48, 6.48, 116.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QE TYR 76 OK 100 100 - 100 Peak 5522 from aliabs.peaks (4.27, 7.32, 131.40 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 100 100 2.8-3.0 3.7=100 HA ARG 84 + QD PHE 87 OK 61 73 95 87 3.3-5.4 9782/9776=34...(12) Violated in 0 structures by 0.00 A. Peak 5523 from aliabs.peaks (3.23, 7.32, 131.40 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.5 2.5=100 HB3 PHE 87 + QD PHE 87 OK 99 99 100 100 2.3-2.6 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 99 0 - 8.6-13.1 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 3 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.6 2.5=100 HB2 PHE 87 + QD PHE 87 OK 99 99 100 100 2.3-2.5 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 8.6-13.1 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 2 assignments used, quality = 1.00: * QE PHE 87 + QD PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 H ASN 85 - QD PHE 87 far 0 98 0 - 5.3-7.3 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 - 5.2-10.7 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 2.1-3.1 3.1=100 HB3 SER 74 - QD PHE 89 far 0 68 0 - 7.5-8.6 HA CYS 79 - QD PHE 89 far 0 83 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 5535 from aliabs.peaks (3.32, 7.07, 131.13 ppm; 6.37 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 99 99 100 100 3.6-5.6 9581/9924=80, ~11145=76...(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 4 76 5 - 6.9-8.6 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 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 59 60 100 98 3.6-5.6 ~11145=69, ~11124=64...(12) HB3 TYR 72 - QD PHE 89 far 0 100 0 - 6.9-8.6 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 - 6.7-7.5 QD PHE 87 - QD PHE 89 far 0 96 0 - 7.5-8.1 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 - 8.6-9.2 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 2.6-3.6 4.1/10826=52...(19) QD1 LEU 100 - QG2 ILE 37 far 0 98 0 - 9.1-10.4 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 4.2-4.6 10789=100, 9004/2.1=72...(11) HB3 SER 38 - HB ILE 37 far 0 100 0 - 4.9-5.5 Violated in 20 structures by 0.43 A. Peak 9004 from aliabs.peaks (4.22, 0.93, 17.29 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.94: HA ALA 34 + QG2 ILE 37 OK 94 99 95 100 4.1-4.7 10789/2.1=68, 10791=68...(13) HB3 SER 38 - QG2 ILE 37 far 0 99 0 - 4.8-5.9 HA HIS 67 - QG2 ILE 37 far 0 93 0 - 9.2-10.3 HA ALA 29 - QG2 ILE 37 far 0 99 0 - 9.8-12.7 Violated in 20 structures by 0.49 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 2.1-2.5 10871=99, 10873/2.1=93...(14) HB3 SER 38 - HG12 ILE 37 far 10 99 10 - 3.9-6.7 HB THR 25 - HG12 ILE 37 far 0 83 0 - 9.2-22.2 HA ALA 29 - HG12 ILE 37 far 0 87 0 - 9.3-11.9 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 2.2-2.8 10790=99, 10873/2.1=91...(14) HB3 SER 38 - HG13 ILE 37 far 5 99 5 - 5.1-7.6 HB THR 25 - HG13 ILE 37 far 0 83 0 - 9.3-23.3 Violated in 0 structures by 0.00 A. Peak 9007 from aliabs.peaks (4.23, 0.77, 12.40 ppm; 3.99 A): 4 out of 12 assignments used, quality = 1.00: HA ALA 29 + QD1 ILE 32 OK 99 99 100 100 1.9-2.4 2.1/10739=89, 10737=87...(15) HA ALA 34 + QD1 ILE 37 OK 58 58 100 100 1.9-3.2 10873=77, 9004/1094=62...(17) HA ALA 28 + QD1 ILE 32 OK 30 97 55 57 3.3-6.1 10780=20, ~10772=18...(7) HA GLN 27 + QD1 ILE 32 OK 21 93 40 58 3.0-8.6 ~10768=23, ~10843=13...(8) HA GLU 30 - QD1 ILE 32 poor 17 87 20 - 3.9-6.6 HB3 SER 38 - QD1 ILE 37 far 0 60 0 - 5.2-6.6 HA ALA 34 - QD1 ILE 32 far 0 85 0 - 5.6-7.8 HA HIS 67 - QD1 ILE 32 far 0 68 0 - 7.0-19.6 HA ALA 29 - QD1 ILE 37 far 0 74 0 - 7.6-10.2 HB3 SER 38 - QD1 ILE 32 far 0 87 0 - 8.1-12.5 HA GLU 30 - QD1 ILE 37 far 0 60 0 - 9.2-11.8 HA HIS 67 - QD1 ILE 37 far 0 45 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 9008 from aliabs.peaks (2.97, 0.77, 12.40 ppm; 4.39 A): 6 out of 20 assignments used, quality = 0.98: HE2 LYS 36 + QD1 ILE 37 OK 70 72 100 98 2.0-4.0 4.0/10704=38, 10804=36...(18) HE3 LYS 36 + QD1 ILE 37 OK 70 72 100 98 2.5-4.4 4.0/10704=38, 10804=38...(18) HE2 LYS 26 + QD1 ILE 32 OK 42 97 45 96 2.3-12.7 10757/930=37, ~10767=36...(22) HE3 LYS 26 + QD1 ILE 32 OK 34 99 35 97 2.3-11.5 ~10767=36, ~10833=28...(23) HE2 LYS 31 + QD1 ILE 32 OK 27 97 35 79 3.0-9.6 10766/930=15, ~10825=12...(32) HE3 LYS 31 + QD1 ILE 32 OK 22 90 30 81 3.1-9.9 10840/930=16...(32) HE2 LYS 36 - QD1 ILE 32 far 15 98 15 - 4.3-10.7 HE3 LYS 19 - QD1 ILE 32 far 5 95 5 - 4.1-17.6 HE3 LYS 24 - QD1 ILE 32 far 4 78 5 - 4.9-19.2 HE3 LYS 26 - QD1 ILE 37 far 4 74 5 - 3.3-20.2 HE2 LYS 26 - QD1 ILE 37 far 4 71 5 - 4.3-20.4 HE3 LYS 19 - QD1 ILE 37 far 3 67 5 - 4.5-20.5 HE2 LYS 19 - QD1 ILE 37 far 3 67 5 - 5.2-21.8 HE2 LYS 19 - QD1 ILE 32 far 0 95 0 - 5.4-19.1 HE3 LYS 36 - QD1 ILE 32 far 0 98 0 - 5.4-10.7 HE2 LYS 24 - QD1 ILE 32 far 0 90 0 - 6.0-18.9 HE3 LYS 31 - QD1 ILE 37 far 0 63 0 - 6.9-11.5 HE2 LYS 31 - QD1 ILE 37 far 0 71 0 - 7.4-11.3 HE2 LYS 24 - QD1 ILE 37 far 0 63 0 - 7.9-24.1 HE3 LYS 24 - QD1 ILE 37 far 0 52 0 - 9.0-24.6 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 8 assignments used, quality = 0.00: HG3 GLU 30 - QD1 ILE 32 far 5 100 5 - 4.8-7.5 HG3 GLN 68 - QD1 ILE 32 far 0 99 0 - 5.5-17.7 HG3 GLN 68 - QD1 ILE 37 far 0 74 0 - 6.9-9.8 HG2 GLU 40 - QD1 ILE 37 far 0 52 0 - 7.5-11.1 HB VAL 77 - QD1 ILE 37 far 0 41 0 - 8.6-10.6 HG2 GLU 44 - QD1 ILE 37 far 0 75 0 - 9.4-11.5 HG2 GLU 44 - QD1 ILE 32 far 0 100 0 - 9.5-18.3 HG2 GLU 40 - QD1 ILE 32 far 0 78 0 - 9.6-17.6 Violated in 20 structures by 1.55 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 2.0-3.0 1.8/10825=72...(31) Violated in 0 structures by 0.00 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 2.5-4.7 2.6/9019=78...(16) HB3 CYS 45 - QG2 ILE 37 far 0 100 0 - 6.5-7.9 Violated in 3 structures by 0.06 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 4.4-5.0 10864/10905=62...(16) HA TYR 72 + HA ILE 37 OK 77 81 95 100 4.0-6.2 9015/1089=57, 11141=56...(20) HA ASP 35 - HA ILE 37 far 0 92 0 - 6.6-7.2 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 4.1-5.3 11134/2.1=92...(28) HA SER 38 + HB ILE 37 OK 98 98 100 100 3.8-4.3 3.0/6422=97...(23) HA ASP 35 + HB ILE 37 OK 59 63 95 100 5.6-6.9 3.6/10894=86...(10) 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 = 0.97: HA TYR 72 + QG2 ILE 37 OK 93 93 100 100 1.9-2.8 3.4/9022=47, 3.0/9010=46...(25) HA SER 38 + QG2 ILE 37 OK 59 92 65 99 4.1-5.3 3.0/6423=52...(23) 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): 3 out of 3 assignments used, quality = 0.95: HA TYR 72 + HG12 ILE 37 OK 73 97 75 100 5.1-6.4 10749/2.1=81...(24) HA ASP 35 + HG12 ILE 37 OK 67 68 100 99 4.3-4.8 9012/6415=67...(11) HA SER 38 + HG12 ILE 37 OK 48 97 50 100 4.3-6.2 3.0/6424=74...(21) Violated in 0 structures by 0.00 A. Peak 9019 from aliabs.peaks (6.50, 0.93, 17.29 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 76 + QG2 ILE 37 OK 98 100 100 98 2.3-3.6 3.1/10833=51...(16) QE TYR 76 - QG2 ILE 37 far 11 76 15 - 3.9-5.5 Violated in 8 structures by 0.03 A. Peak 9020 from aliabs.peaks (6.49, 1.97, 37.79 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + HB ILE 37 OK 97 97 100 100 2.7-5.1 9019/2.1=95...(16) QE TYR 76 + HB ILE 37 OK 54 92 60 99 4.6-7.1 ~9019=71, ~9019=67...(10) 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 2.6-4.3 2.2/9022=79...(29) HE21 GLN 68 - QG2 ILE 37 far 0 93 0 - 6.9-10.4 Violated in 2 structures by 0.01 A. Peak 9022 from aliabs.peaks (7.14, 0.93, 17.29 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 72 + QG2 ILE 37 OK 100 100 100 100 1.8-2.8 2.2/9021=57, 2.7/9010=52...(47) HD2 HIS 67 - QG2 ILE 37 far 0 76 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 9023 from aliabs.peaks (8.30, 0.93, 17.29 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.71: H TYR 72 + QG2 ILE 37 OK 71 71 100 100 4.1-5.1 3.8/9010=72...(22) H LEU 43 - QG2 ILE 37 far 10 98 10 - 5.6-7.8 H GLU 40 - QG2 ILE 37 far 0 98 0 - 6.4-8.2 H LEU 69 - QG2 ILE 37 far 0 100 0 - 7.0-8.3 Violated in 1 structures by 0.01 A. Peak 9027 from aliabs.peaks (7.49, 0.93, 17.29 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.94: H LEU 42 + QG2 ILE 37 OK 94 100 95 99 3.4-5.9 1285/10819=83...(5) H GLN 134 - QG2 ILE 37 far 0 100 0 - 9.9-12.3 Violated in 2 structures by 0.07 A. Peak 9030 from aliabs.peaks (6.48, 4.00, 64.46 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.96: QE TYR 76 + HB2 SER 38 OK 93 100 95 98 4.7-6.0 9034/1.8=87, ~9034=31...(7) QD TYR 76 + HB2 SER 38 OK 45 81 60 94 4.9-6.3 ~9034=61, 9034/1.8=36...(7) Violated in 4 structures by 0.05 A. Peak 9032 from aliabs.peaks (6.49, 4.54, 57.72 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + HA SER 38 OK 94 96 100 99 2.7-4.5 9019/10846=62, ~9034=52...(13) QE TYR 76 + HA SER 38 OK 91 95 100 97 2.8-4.5 9034/3.0=70, 9030/3.0=46...(11) Violated in 0 structures by 0.00 A. Peak 9034 from aliabs.peaks (6.48, 4.21, 64.46 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.22: QE TYR 76 + HB3 SER 38 OK 22 100 25 88 5.3-6.9 9030/1.8=47, 9032/3.0=24...(8) QD TYR 76 - HB3 SER 38 far 11 73 15 - 5.1-6.5 Violated in 20 structures by 1.18 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 1.9-3.0 10558/10578=62, 9625=59...(17) 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 1.9-4.2 9036/3.0=78...(10) QE TYR 76 - HB2 PRO 81 poor 14 73 70 27 5.3-8.5 11162/1.8=11, 9628=8...(4) 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 3 assignments used, quality = 0.99: QB ALA 41 + HB3 SER 38 OK 99 99 100 100 2.5-4.7 9043/1.8=77...(11) HG3 LYS 39 - HB3 SER 38 far 0 98 0 - 7.6-8.3 HG12 ILE 32 - HB3 SER 38 far 0 90 0 - 10.0-15.3 Violated in 2 structures by 0.01 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 2.3-4.6 9042/1.8=75...(10) HG3 LYS 39 - HB2 SER 38 far 0 90 0 - 6.0-7.6 Violated in 2 structures by 0.01 A. Peak 9046 from aliabs.peaks (2.04, 4.21, 64.46 ppm; 6.05 A): 1 out of 2 assignments used, quality = 0.81: HB3 GLU 40 + HB3 SER 38 OK 81 87 95 98 3.9-7.0 4.0/10921=77...(5) HB2 GLU 44 - HB3 SER 38 far 0 90 0 - 8.2-10.5 Violated in 4 structures by 0.14 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 2.7-4.9 10578=96, 10585/10870=65...(22) HG13 ILE 80 - HA LYS 39 far 0 89 0 - 6.2-9.0 QG2 ILE 129 - HA LYS 39 far 0 100 0 - 6.2-7.7 QG2 ILE 80 - HA LYS 39 far 0 93 0 - 6.8-9.0 Violated in 2 structures by 0.01 A. Peak 9054 from aliabs.peaks (1.18, 1.90, 28.21 ppm; 5.74 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 41 + HB2 GLU 40 OK 100 100 100 100 4.5-5.4 3.0/6470=95, ~6471=76...(20) HG3 LYS 39 + HB2 GLU 40 OK 48 85 65 87 5.3-7.4 9056/3.0=41...(6) QG2 THR 25 - HB2 GLU 40 far 0 100 0 - 9.3-26.4 Violated in 0 structures by 0.00 A. Peak 9055 from aliabs.peaks (0.75, 3.83, 59.43 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 43 + HA GLU 40 OK 94 100 95 99 4.2-5.8 3.2/1246=51...(18) QD1 ILE 37 - HA GLU 40 far 0 83 0 - 9.2-10.3 Violated in 17 structures by 0.40 A. Peak 9056 from aliabs.peaks (1.18, 3.83, 59.43 ppm; 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 9054/3.0=56...(23) HG3 LYS 39 + HA GLU 40 OK 75 76 100 99 3.5-5.3 11901/9055=44, ~1159=35...(24) Violated in 3 structures by 0.01 A. Peak 9059 from aliabs.peaks (1.18, 2.29, 35.43 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.82: QB ALA 41 + HG2 GLU 40 OK 75 100 75 100 3.0-6.1 9054/3.0=58...(19) HG3 LYS 39 + HG2 GLU 40 OK 29 85 50 68 3.2-8.1 10930/1.8=33...(6) QG2 THR 25 - HG3 GLU 30 far 10 65 15 - 4.3-12.9 QG2 THR 25 - HG2 GLU 30 far 6 65 10 - 3.0-13.0 HG12 ILE 32 - HG3 GLU 30 far 6 37 15 - 4.4-8.6 HG12 ILE 32 - HG2 GLU 30 far 2 37 5 - 5.4-8.7 QG2 THR 18 - HG2 GLU 30 far 0 54 0 - 6.0-19.0 QG2 THR 18 - HG3 GLU 30 far 0 54 0 - 6.7-19.1 Violated in 10 structures by 0.07 A. Peak 9061 from aliabs.peaks (8.30, 1.18, 17.90 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.99: H GLU 40 + QB ALA 41 OK 88 89 100 100 4.1-4.7 6463/3.0=66, 4.0/9054=49...(15) H LEU 43 + QB ALA 41 OK 88 89 100 99 4.4-5.0 3.9/1285=70, 3.6/9066=55...(13) H GLU 44 + QB ALA 41 OK 62 63 100 98 4.4-5.0 1279/2.1=44...(14) H TYR 72 - QB ALA 41 far 0 89 0 - 6.4-7.5 H LEU 69 - QB ALA 41 far 0 99 0 - 7.7-9.1 H LEU 49 - QB ALA 41 far 0 100 0 - 9.5-10.7 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 = 0.99: QD TYR 72 + QB ALA 41 OK 99 99 100 100 2.6-4.7 2.2/9063=83...(14) Violated in 11 structures by 0.06 A. Peak 9063 from aliabs.peaks (6.80, 1.18, 17.90 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.94: QE TYR 72 + QB ALA 41 OK 94 100 95 99 2.3-4.8 9551=70, 2.2/9062=55...(14) HE21 GLN 68 - QB ALA 41 far 0 90 0 - 6.1-9.9 Violated in 19 structures by 0.46 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 3.2-5.5 3.0/1409=84, 1.8/9065=62...(17) Violated in 13 structures by 0.25 A. Peak 9065 from aliabs.peaks (2.29, 3.91, 54.50 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.83: HG2 GLU 44 + HA ALA 41 OK 76 76 100 100 3.2-5.2 3.0/1409=78, 1.8/9064=71...(19) HG2 GLU 40 + HA ALA 41 OK 30 100 30 100 3.4-6.5 9059/2.1=52, 1262/4.9=51...(22) HG3 GLN 68 - HA ALA 41 far 0 68 0 - 7.3-10.5 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 3.6-3.9 9073=94, 2.8/1285=89...(8) HA VAL 77 - QB ALA 41 far 0 81 0 - 9.7-11.1 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 = 0.89: QG2 ILE 37 + QB ALA 41 OK 89 99 90 100 2.3-4.5 10819=99, 1094/9070=49...(18) QD1 LEU 48 - QB ALA 41 far 0 85 0 - 6.6-8.8 QD1 LEU 49 - QB ALA 41 far 0 90 0 - 7.5-10.8 QG1 VAL 126 - QB ALA 41 far 0 63 0 - 8.1-9.1 Violated in 8 structures by 0.22 A. Peak 9070 from aliabs.peaks (0.78, 1.18, 17.90 ppm; 3.77 A): 1 out of 6 assignments used, quality = 0.88: QD1 ILE 37 + QB ALA 41 OK 88 99 90 99 3.9-4.8 1094/10819=69...(11) QD1 ILE 32 - QB ALA 41 far 0 99 0 - 5.3-11.3 QD2 LEU 49 - QB ALA 41 far 0 78 0 - 8.1-10.4 QD2 LEU 96 - QB ALA 41 far 0 68 0 - 9.0-9.8 QG1 VAL 93 - QB ALA 41 far 0 71 0 - 9.4-10.7 QD1 LEU 96 - QB ALA 41 far 0 100 0 - 9.9-11.0 Violated in 20 structures by 0.58 A. Peak 9072 from aliabs.peaks (1.00, 3.47, 59.85 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 69 + HA LEU 42 OK 98 99 100 100 2.0-5.0 11059=68, 11039/3.9=68...(11) Violated in 2 structures by 0.03 A. Peak 9073 from aliabs.peaks (1.17, 3.47, 59.85 ppm; 4.94 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 41 + HA LEU 42 OK 99 99 100 100 3.6-3.9 9066=98, 1285/2.8=88...(8) HG3 LYS 39 - HA LEU 42 far 0 99 0 - 6.2-7.9 QG2 THR 25 - HA LEU 42 far 0 98 0 - 8.6-25.8 QG2 VAL 77 - HA LEU 42 far 0 87 0 - 9.7-11.2 QG2 VAL 132 - HA LEU 42 far 0 63 0 - 9.7-11.0 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 3 assignments used, quality = 0.81: HB3 GLU 44 + HA LEU 42 OK 81 90 100 90 4.8-6.8 1409/4.9=67, 4.7/1294=53...(4) HB3 LYS 39 - HA LEU 42 far 0 78 0 - 6.9-8.7 HG3 GLN 134 - HA LEU 42 far 0 83 0 - 9.2-12.3 Violated in 6 structures by 0.17 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 2.2-3.7 11039/2.1=94...(23) 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 4.0-4.5 9923/9110=55...(19) QD1 ILE 80 + QD1 LEU 42 OK 82 87 95 99 3.9-5.4 10588/11676=61...(16) Violated in 0 structures by 0.00 A. Peak 9080 from aliabs.peaks (0.28, 0.56, 24.08 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + QD2 LEU 42 OK 95 98 100 97 4.1-4.8 11424/11891=48...(17) QD1 ILE 80 + QD2 LEU 42 OK 83 93 90 98 3.5-5.3 10588/10587=62...(20) Violated in 2 structures by 0.02 A. Peak 9081 from aliabs.peaks (0.83, 0.56, 24.08 ppm; 2.75 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + QD2 LEU 42 OK 98 98 100 100 1.8-3.0 2.1/10587=47, 10585=44...(37) QG2 ILE 129 + QD2 LEU 42 OK 95 99 100 95 1.8-3.0 10486=62, 9083/2.1=27...(21) HG13 ILE 80 - QD2 LEU 42 far 0 87 0 - 4.8-7.6 QG2 ILE 80 - QD2 LEU 42 far 0 92 0 - 5.9-7.9 QD2 LEU 70 - QD2 LEU 42 far 0 65 0 - 6.3-8.1 QD1 LEU 70 - QD2 LEU 42 far 0 87 0 - 6.8-9.2 QD1 LEU 122 - QD2 LEU 42 far 0 73 0 - 8.5-11.2 QG2 ILE 32 - QD2 LEU 42 far 0 98 0 - 8.6-12.4 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 = 0.88: QG2 VAL 133 + QD2 LEU 42 OK 82 83 100 99 1.8-3.0 10587=50, 2.1/10585=42...(31) QD1 LEU 69 + QD2 LEU 42 OK 32 93 35 97 2.8-4.4 11039=49, 9084/2.1=29...(19) Violated in 0 structures by 0.00 A. Peak 9083 from aliabs.peaks (0.83, 0.63, 27.44 ppm; 3.44 A): 2 out of 8 assignments used, quality = 0.99: QG2 ILE 129 + QD1 LEU 42 OK 98 100 100 99 2.4-3.9 10486/2.1=72, 4142=48...(23) QG1 VAL 133 + QD1 LEU 42 OK 58 97 60 100 3.4-4.8 2.1/11774=64...(31) QD2 LEU 70 - QD1 LEU 42 far 0 60 0 - 5.4-6.8 QD1 LEU 70 - QD1 LEU 42 far 0 90 0 - 5.4-7.9 HG13 ILE 80 - QD1 LEU 42 far 0 90 0 - 6.0-7.9 QG2 ILE 80 - QD1 LEU 42 far 0 95 0 - 6.7-8.0 QG2 ILE 32 - QD1 LEU 42 far 0 97 0 - 7.2-10.8 QD1 LEU 122 - QD1 LEU 42 far 0 78 0 - 7.8-10.7 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 = 0.94: QD1 LEU 69 + QD1 LEU 42 OK 88 89 100 100 1.9-3.7 11039/2.1=57...(30) QG2 VAL 133 + QD1 LEU 42 OK 49 89 55 100 3.4-5.3 11676=77, 10587/2.1=60...(30) Violated in 1 structures by 0.00 A. Peak 9085 from aliabs.peaks (1.65, 0.56, 24.08 ppm; 3.66 A): 1 out of 7 assignments used, quality = 0.97: HG LEU 43 + QD2 LEU 42 OK 97 100 100 97 2.8-4.0 2.1/9129=67...(9) HB2 LEU 69 - QD2 LEU 42 far 0 100 0 - 4.8-7.6 QB ALA 88 - QD2 LEU 42 far 0 92 0 - 7.6-8.2 HD3 LYS 36 - QD2 LEU 42 far 0 95 0 - 8.0-10.2 HD2 LYS 86 - QD2 LEU 42 far 0 99 0 - 8.5-11.0 HD2 LYS 36 - QD2 LEU 42 far 0 93 0 - 8.7-11.4 HD3 LYS 86 - QD2 LEU 42 far 0 100 0 - 9.1-11.4 Violated in 12 structures by 0.10 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 3.3-4.6 2.1/10486=96...(15) HB ILE 37 - QD2 LEU 42 far 0 60 0 - 5.9-7.5 HB2 GLU 44 - QD2 LEU 42 far 0 68 0 - 6.6-8.5 HG2 PRO 81 - QD2 LEU 42 far 0 98 0 - 6.8-11.3 HB2 GLN 134 - QD2 LEU 42 far 0 76 0 - 6.8-8.6 HB3 GLU 40 - QD2 LEU 42 far 0 73 0 - 7.3-8.2 HG2 ARG 90 - QD2 LEU 42 far 0 71 0 - 7.3-8.7 HB2 PRO 81 - QD2 LEU 42 far 0 32 0 - 7.4-12.4 Violated in 1 structures by 0.01 A. Peak 9087 from aliabs.peaks (2.19, 0.56, 24.08 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 42 OK 100 100 100 100 2.5-4.1 2.1/10587=87...(30) HG2 GLN 68 - QD2 LEU 42 far 0 68 0 - 7.3-10.5 HB2 PRO 81 - QD2 LEU 42 far 0 93 0 - 7.4-12.4 HB2 GLN 68 - QD2 LEU 42 far 0 60 0 - 7.8-10.4 HB3 GLN 68 - QD2 LEU 42 far 0 98 0 - 8.2-11.1 HG2 GLU 91 - QD2 LEU 42 far 0 81 0 - 9.4-10.2 HB2 GLN 82 - QD2 LEU 42 far 0 87 0 - 9.7-12.6 Violated in 1 structures by 0.01 A. Peak 9088 from aliabs.peaks (2.20, 0.63, 27.44 ppm; 5.45 A): 1 out of 8 assignments used, quality = 0.72: HB VAL 133 + QD1 LEU 42 OK 72 96 75 100 4.3-6.6 2.1/11676=97...(25) HG2 GLN 68 - QD1 LEU 42 far 14 93 15 - 5.8-8.6 HB2 GLN 68 - QD1 LEU 42 far 13 89 15 - 6.0-8.6 HB3 GLN 68 - QD1 LEU 42 far 12 81 15 - 6.2-8.9 HB3 GLU 97 - QD1 LEU 42 far 0 87 0 - 9.0-11.0 HB2 PRO 81 - QD1 LEU 42 far 0 88 0 - 9.1-12.5 HB3 GLU 128 - QD1 LEU 42 far 0 57 0 - 9.2-11.2 HG2 GLU 91 - QD1 LEU 42 far 0 98 0 - 9.7-11.1 Violated in 14 structures by 0.52 A. Peak 9089 from aliabs.peaks (2.93, 1.49, 28.46 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 45 + HG LEU 42 OK 100 100 100 100 3.8-5.3 11062/9078=94...(10) HE2 LYS 39 + HG LEU 42 OK 30 100 30 100 6.9-10.9 9097/2.1=97...(5) HE2 LYS 36 - HG LEU 42 far 3 65 5 - 6.0-12.3 HE3 LYS 36 - HG LEU 42 far 3 65 5 - 6.7-12.4 HE3 LYS 39 - HG LEU 42 far 0 100 0 - 8.3-11.3 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 3.4-4.7 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 1.8-3.1 1.8/10874=70...(30) HB3 PHE 89 - QD1 LEU 42 far 0 97 0 - 6.5-7.3 HB2 HIS 67 - QD1 LEU 42 far 0 99 0 - 9.0-10.7 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 2.0-2.9 9635=66, 1.8/9617=59...(21) HB3 CYS 45 - QD1 LEU 42 far 0 96 0 - 5.0-6.9 Violated in 0 structures by 0.00 A. Peak 9093 from aliabs.peaks (2.95, 0.63, 27.44 ppm; 4.78 A): 1 out of 9 assignments used, quality = 0.81: HB2 CYS 45 + QD1 LEU 42 OK 81 87 100 94 4.1-5.6 11062/9084=43...(9) HE2 LYS 36 - QD1 LEU 42 far 5 99 5 - 4.9-9.1 HE3 LYS 36 - QD1 LEU 42 far 5 99 5 - 5.4-9.3 HE2 LYS 39 - QD1 LEU 42 far 0 73 0 - 6.6-9.5 HE2 LYS 19 - QD1 LEU 42 far 0 100 0 - 7.2-26.4 HE3 LYS 19 - QD1 LEU 42 far 0 100 0 - 7.8-25.9 HE3 LYS 39 - QD1 LEU 42 far 0 73 0 - 7.9-9.4 HE3 LYS 86 - QD1 LEU 42 far 0 100 0 - 8.9-10.5 HE3 LYS 26 - QD1 LEU 42 far 0 98 0 - 9.6-25.9 Violated in 10 structures by 0.14 A. Peak 9094 from aliabs.peaks (2.74, 0.63, 27.44 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: HB2 CYS 73 + QD1 LEU 42 OK 99 100 100 99 3.0-4.8 3.0/9570=62, 3.8/9565=43...(20) HB2 TYR 76 + QD1 LEU 42 OK 81 81 100 100 2.0-3.1 1.8/9092=77...(20) HB2 ASP 47 - QD1 LEU 42 far 0 68 0 - 8.6-10.7 HB3 ASP 78 - QD1 LEU 42 far 0 85 0 - 8.8-10.0 HB2 CYS 125 - QD1 LEU 42 far 0 96 0 - 9.2-10.9 HB2 ASP 131 - QD1 LEU 42 far 0 71 0 - 9.6-10.9 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 4.2-5.3 9091/2.1=78...(26) HB3 PHE 89 - QD2 LEU 42 far 0 100 0 - 5.6-7.1 HB2 PHE 89 - QD2 LEU 42 far 0 76 0 - 5.6-6.9 Violated in 17 structures by 0.23 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 2.9-4.5 9092/2.1=86, ~9617=55...(23) HB3 CYS 45 - QD2 LEU 42 far 0 99 0 - 5.9-7.5 Violated in 0 structures by 0.00 A. Peak 9097 from aliabs.peaks (2.94, 0.56, 24.08 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.37: HE2 LYS 39 + QD2 LEU 42 OK 37 96 40 95 4.5-7.7 4.0/10873=63...(10) HB2 CYS 45 - QD2 LEU 42 far 15 99 15 - 4.7-6.3 HE3 LYS 39 - QD2 LEU 42 far 0 96 0 - 5.6-7.9 HE2 LYS 36 - QD2 LEU 42 far 0 85 0 - 6.6-11.3 HE3 LYS 36 - QD2 LEU 42 far 0 85 0 - 6.8-11.4 HD2 ARG 135 - QD2 LEU 42 far 0 92 0 - 8.1-10.4 HE3 LYS 86 - QD2 LEU 42 far 0 93 0 - 8.8-10.6 HE2 LYS 19 - QD2 LEU 42 far 0 92 0 - 9.3-28.8 Violated in 20 structures by 1.17 A. Peak 9098 from aliabs.peaks (2.75, 0.56, 24.08 ppm; 4.73 A): 2 out of 6 assignments used, quality = 1.00: HB2 CYS 73 + QD2 LEU 42 OK 98 99 100 100 3.7-5.4 ~9570=50, ~9570=49...(24) HB2 TYR 76 + QD2 LEU 42 OK 89 89 100 100 3.1-4.7 1.8/9096=81, ~9092=65...(21) HB2 ASP 131 - QD2 LEU 42 far 0 81 0 - 7.3-8.7 HB2 ASP 47 - QD2 LEU 42 far 0 57 0 - 7.7-9.9 HB2 CYS 125 - QD2 LEU 42 far 0 90 0 - 8.9-10.8 HB3 ASP 78 - QD2 LEU 42 far 0 76 0 - 9.7-10.9 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 = 0.99: HA SER 130 + QD2 LEU 42 OK 91 100 100 92 2.7-3.7 11747/9129=35...(13) HA LEU 43 + QD2 LEU 42 OK 89 100 90 99 2.7-4.3 2.8/1338=47...(16) HB3 SER 130 - QD2 LEU 42 far 5 99 5 - 4.2-6.0 HA VAL 133 - QD2 LEU 42 far 0 97 0 - 4.3-5.6 HA ARG 90 - QD2 LEU 42 far 0 81 0 - 7.1-8.3 Violated in 2 structures by 0.01 A. Peak 9100 from aliabs.peaks (4.34, 0.56, 24.08 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.25: HA LEU 69 + QD2 LEU 42 OK 25 100 25 99 4.7-6.5 2208/11066=61...(18) HA GLN 134 - QD2 LEU 42 far 0 97 0 - 6.0-7.5 HA2 GLY 75 - QD2 LEU 42 far 0 87 0 - 7.3-8.9 HA ASP 47 - QD2 LEU 42 far 0 99 0 - 7.6-9.1 HA PRO 81 - QD2 LEU 42 far 0 90 0 - 8.2-12.2 HA CYS 125 - QD2 LEU 42 far 0 95 0 - 9.1-10.3 Violated in 20 structures by 1.33 A. Peak 9101 from aliabs.peaks (3.77, 0.63, 27.44 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 43 + QD1 LEU 42 OK 100 100 100 100 5.3-5.6 10883/2.1=82...(11) HA SER 130 + QD1 LEU 42 OK 63 100 65 97 5.1-6.2 11861/11676=63...(9) HA VAL 133 - QD1 LEU 42 far 0 99 0 - 6.0-7.8 HB3 SER 130 - QD1 LEU 42 far 0 100 0 - 6.4-8.0 HA ARG 90 - QD1 LEU 42 far 0 71 0 - 6.8-8.0 HA GLU 97 - QD1 LEU 42 far 0 96 0 - 9.2-10.4 Violated in 16 structures by 0.12 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 91 97 95 99 3.0-4.7 9100/2.1=48...(22) HA CYS 73 + QD1 LEU 42 OK 87 87 100 100 1.9-3.6 9570=72, 2.9/9565=42...(24) HA ASP 78 - QD1 LEU 42 far 0 71 0 - 8.3-9.4 HA GLN 134 - QD1 LEU 42 far 0 99 0 - 8.3-10.0 HA ASP 47 - QD1 LEU 42 far 0 78 0 - 8.9-9.9 HA CYS 125 - QD1 LEU 42 far 0 100 0 - 9.7-11.1 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 = 0.95: H SER 130 + QD2 LEU 42 OK 90 90 100 100 3.7-5.1 4.2/10486=81...(10) H ILE 129 + QD2 LEU 42 OK 48 90 55 97 5.5-6.7 4.0/10486=84...(4) H LEU 48 - QD2 LEU 42 far 0 60 0 - 7.7-9.2 H SER 94 - QD2 LEU 42 far 0 68 0 - 8.8-9.5 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 2 assignments used, quality = 0.63: H ALA 46 + QD2 LEU 42 OK 63 63 100 100 4.2-5.9 3.1/9177=91...(10) H GLU 97 - QD2 LEU 42 far 0 99 0 - 9.7-10.7 Violated in 14 structures by 0.24 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 1.8-2.7 9110/2.1=81...(16) HE ARG 90 - QD2 LEU 42 far 0 100 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 9108 from aliabs.peaks (7.12, 0.56, 24.08 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.46: QD TYR 72 + QD2 LEU 42 OK 46 92 50 100 4.4-6.0 9111/2.1=70, 2.7/9095=66...(32) Violated in 19 structures by 0.90 A. Peak 9109 from aliabs.peaks (6.49, 0.56, 24.08 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + QD2 LEU 42 OK 97 97 100 99 2.7-4.4 10555/10587=52...(21) QD TYR 76 + QD2 LEU 42 OK 92 92 100 100 2.5-4.1 2.6/9096=51, 9112/2.1=38...(27) 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 1.9-2.4 2.2/11890=66...(18) HE ARG 90 - QD1 LEU 42 far 0 99 0 - 7.0-10.2 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 2.2-4.3 9108/2.1=78, 2.7/9091=76...(34) 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 = 0.98: QD TYR 76 + QD1 LEU 42 OK 86 87 100 99 2.0-3.7 2.6/9092=57, 2.6/9617=45...(17) QE TYR 76 + QD1 LEU 42 OK 83 99 85 99 3.1-4.9 10555/11676=46, 9634=38...(19) 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 2.3-4.0 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): 2 out of 3 assignments used, quality = 0.97: HA TYR 72 + QD1 LEU 42 OK 96 96 100 100 3.3-4.0 3.0/9091=76...(27) HA SER 38 + QD1 LEU 42 OK 32 95 40 86 5.3-6.7 10864/10872=49...(6) HA ASP 35 - QD1 LEU 42 far 0 73 0 - 8.3-10.8 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 2.7-4.4 4.3/11777=91...(19) H LEU 42 + QD2 LEU 43 OK 92 92 100 100 3.9-6.1 3.9/6510=88, 4.8/9129=82...(9) 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 3.3-4.8 4.0/11901=77...(30) 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 6 assignments used, quality = 1.00: HE2 LYS 39 + QD1 LEU 43 OK 93 96 100 97 1.9-4.3 4.0/11901=44...(27) HE3 LYS 39 + QD1 LEU 43 OK 93 96 100 97 1.9-4.4 4.0/11901=44...(26) HD2 ARG 135 - QD1 LEU 43 far 0 92 0 - 7.0-9.8 HB2 CYS 45 - QD1 LEU 43 far 0 99 0 - 7.4-8.3 HE3 LYS 36 - QD1 LEU 43 far 0 85 0 - 8.5-14.1 HE2 LYS 36 - QD1 LEU 43 far 0 85 0 - 9.1-13.9 Violated in 1 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 1.9-5.0 11684=87, 9124/2.1=76...(24) Violated in 2 structures by 0.05 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 3.1-5.3 9119/2.1=90...(33) 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 6 assignments used, quality = 0.99: HE2 LYS 39 + QD2 LEU 43 OK 93 99 95 100 2.6-6.6 9097/9129=50...(26) HE3 LYS 39 + QD2 LEU 43 OK 83 99 85 99 3.4-6.2 9120/2.1=43...(26) HB2 CYS 45 - QD2 LEU 43 far 0 100 0 - 5.9-6.8 HD2 ARG 135 - QD2 LEU 43 far 0 97 0 - 6.8-9.4 HE2 LYS 36 - QD2 LEU 43 far 0 76 0 - 8.9-13.0 HE3 LYS 36 - QD2 LEU 43 far 0 76 0 - 9.4-13.7 Violated in 2 structures by 0.09 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 1.9-4.7 10596=89, 1.8/9127=82...(31) Violated in 2 structures by 0.04 A. Peak 9125 from aliabs.peaks (2.06, 0.68, 25.73 ppm; 3.84 A): 2 out of 8 assignments used, quality = 0.96: HG3 GLN 134 + QD1 LEU 43 OK 91 96 95 100 1.9-4.8 1.8/9121=64, 9127/2.1=63...(25) HB3 LYS 39 + QD1 LEU 43 OK 60 93 65 99 3.9-5.3 2.9/11901=64...(32) HG3 PRO 81 - QD1 LEU 43 far 0 92 0 - 5.3-11.6 HB3 GLU 44 - QD1 LEU 43 far 0 99 0 - 5.8-7.5 HB2 PRO 81 - QD1 LEU 43 far 0 81 0 - 6.7-12.9 HB2 GLN 127 - QD1 LEU 43 far 0 90 0 - 8.5-10.8 HB3 GLN 82 - QD1 LEU 43 far 0 71 0 - 8.7-13.3 HB2 GLU 128 - QD1 LEU 43 far 0 90 0 - 9.5-11.2 Violated in 2 structures by 0.02 A. Peak 9126 from aliabs.peaks (2.33, 0.68, 25.73 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.99: HB3 GLN 134 + QD1 LEU 43 OK 99 99 100 100 2.3-4.7 11074/2.1=78...(24) HG2 GLU 44 - QD1 LEU 43 poor 16 81 20 - 5.1-6.3 HG2 GLN 127 - QD1 LEU 43 far 0 99 0 - 7.5-10.9 HG2 GLU 128 - QD1 LEU 43 far 0 100 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 9127 from aliabs.peaks (2.05, 0.74, 22.24 ppm; 3.84 A): 1 out of 9 assignments used, quality = 0.66: HG3 GLN 134 + QD2 LEU 43 OK 66 73 90 100 1.9-5.2 1.8/9124=70...(32) HB3 LYS 39 - QD2 LEU 43 far 10 68 15 - 3.8-6.4 HG3 PRO 81 - QD2 LEU 43 far 0 100 0 - 5.5-12.5 HB3 GLU 44 - QD2 LEU 43 far 0 83 0 - 5.9-7.4 HB2 GLU 44 - QD2 LEU 43 far 0 60 0 - 6.1-7.4 HG3 ARG 135 - QD2 LEU 43 far 0 83 0 - 6.4-9.1 HB2 PRO 81 - QD2 LEU 43 far 0 73 0 - 7.2-14.1 HB2 GLN 127 - QD2 LEU 43 far 0 100 0 - 7.3-9.0 HB2 GLU 128 - QD2 LEU 43 far 0 63 0 - 8.1-8.9 Violated in 6 structures by 0.18 A. Peak 9128 from aliabs.peaks (2.19, 0.74, 22.24 ppm; 3.72 A): 1 out of 6 assignments used, quality = 0.95: HB VAL 133 + QD2 LEU 43 OK 95 100 95 100 1.9-4.7 2.1/11777=82...(23) HB3 LEU 69 - QD2 LEU 43 far 0 60 0 - 6.4-9.1 HB2 PRO 81 - QD2 LEU 43 far 0 94 0 - 7.2-14.1 HG2 GLN 68 - QD2 LEU 43 far 0 60 0 - 8.8-12.4 HB3 GLN 68 - QD2 LEU 43 far 0 99 0 - 9.5-12.9 HB2 GLN 82 - QD2 LEU 43 far 0 81 0 - 9.6-13.8 Violated in 10 structures by 0.19 A. Peak 9129 from aliabs.peaks (0.54, 0.74, 22.24 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 42 + QD2 LEU 43 OK 93 93 100 100 1.8-3.5 9085/2.1=52...(25) Violated in 5 structures by 0.02 A. Peak 9140 from aliabs.peaks (1.72, 2.48, 34.64 ppm; 4.48 A): 1 out of 5 assignments used, quality = 0.64: HB2 LEU 43 + HG3 GLU 44 OK 64 87 100 74 4.0-4.7 4.6/1424=55, ~10881=19...(4) HB3 LEU 70 - HG3 GLN 104 far 0 76 0 - 6.9-12.0 HB2 LEU 70 - HG3 GLN 104 far 0 65 0 - 7.0-11.6 HG LEU 48 - HG3 GLU 44 far 0 99 0 - 7.2-8.5 HD3 LYS 39 - HG3 GLU 44 far 0 99 0 - 7.7-11.4 Violated in 14 structures by 0.05 A. Peak 9141 from aliabs.peaks (1.19, 2.48, 34.64 ppm; 5.21 A): 1 out of 3 assignments used, quality = 0.42: QB ALA 41 + HG3 GLU 44 OK 42 93 45 100 4.6-6.6 2.1/9064=70...(18) QG2 THR 25 - HG3 GLU 44 far 0 95 0 - 7.1-28.4 HG3 LYS 39 - HG3 GLU 44 far 0 60 0 - 7.5-9.5 Violated in 17 structures by 0.89 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 2.4-3.7 9145/1.8=76, 2.2/9144=71...(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 2.5-4.7 9547/1.8=79, 2.2/9143=62...(16) HE21 GLN 68 - HB2 CYS 45 poor 19 95 35 57 4.1-8.1 9146/1.8=19, 4.6/9156=15...(7) HE21 GLN 127 - HB2 CYS 45 far 0 85 0 - 9.1-14.8 Violated in 4 structures by 0.04 A. Peak 9145 from aliabs.peaks (7.13, 3.12, 26.00 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 72 + HB3 CYS 45 OK 100 100 100 100 2.5-4.3 2.2/9547=74, 9143/1.8=71...(20) 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 = 0.99: QE TYR 72 + HB3 CYS 45 OK 99 99 100 100 2.6-4.5 9547=79, 9144/1.8=59...(15) HE21 GLN 68 + HB3 CYS 45 OK 30 99 65 46 2.4-7.5 4.6/9158=18, 9144/1.8=11...(6) HE21 GLN 127 - HB3 CYS 45 far 0 96 0 - 9.0-14.8 Violated in 1 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 99 100 100 100 4.9-6.4 6531/4.4=93, 9132/4.5=84...(4) H TYR 72 + HB3 CYS 45 OK 97 98 100 99 6.2-7.1 6983/9145=85...(6) H LEU 49 + HB3 CYS 45 OK 54 57 100 95 5.0-6.5 4.6/10894=67...(8) Violated in 0 structures by 0.00 A. Peak 9148 from aliabs.peaks (8.31, 4.11, 62.25 ppm; 6.21 A): 4 out of 5 assignments used, quality = 1.00: H LEU 49 + HA CYS 45 OK 92 92 100 100 4.1-5.1 4.0/1436=82, 4.6/1438=81...(14) H GLU 44 + HA CYS 45 OK 84 89 100 95 5.2-5.5 6531/3.6=80, 3.9/9153=45...(5) H LEU 69 + HA CYS 45 OK 76 89 90 95 5.5-7.2 4.3/11056=77...(7) H LEU 43 + HA CYS 45 OK 28 63 60 74 6.9-7.4 6535/2.8=61, 6497/4.8=12...(5) H TYR 72 - HA CYS 45 far 0 99 0 - 8.4-9.7 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 4.0-4.9 6540/2.8=73, ~6539=67...(7) HB2 GLU 44 + HA CYS 45 OK 59 60 100 99 3.9-4.8 ~6540=66, 6539/2.8=54...(8) 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 3.2-4.5 10991/1437=50...(16) Violated in 1 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 2.1-7.1 3.2/11062=100...(20) HB3 GLN 68 + HB2 CYS 45 OK 88 92 100 96 4.3-7.5 11048/11050=63...(7) HB VAL 133 - HB2 CYS 45 far 0 73 0 - 9.1-11.6 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 95 100 100 95 2.8-7.0 9550/9146=74...(7) HB3 LEU 69 + HB3 CYS 45 OK 83 83 100 100 1.9-6.4 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 1.9-4.9 9160/1.8=89, 11072=78...(23) QG2 VAL 126 - HB3 CYS 45 far 0 63 0 - 5.8-7.9 QD2 LEU 53 - HB3 CYS 45 far 0 73 0 - 8.0-13.3 Violated in 1 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 1.8-4.7 11062=96, 11061/1.8=76...(20) Violated in 1 structures by 0.02 A. Peak 9164 from aliabs.peaks (0.91, 4.11, 62.25 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 48 + HA CYS 45 OK 97 100 100 97 1.8-3.8 3.1/1438=45, 3.1/1437=44...(11) QD1 LEU 49 + HA CYS 45 OK 49 100 60 82 3.8-6.8 10966/9155=34...(14) QD2 LEU 48 - HA CYS 45 far 9 87 10 - 4.4-5.4 QG2 ILE 37 - HA CYS 45 far 0 81 0 - 7.8-9.3 QD1 LEU 123 - HA CYS 45 far 0 96 0 - 9.4-11.3 Violated in 1 structures by 0.01 A. Peak 9172 from aliabs.peaks (2.04, 3.89, 55.30 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.48: HB2 GLU 44 + HA ALA 46 OK 48 95 55 93 7.5-8.0 ~9188=85, 6539/6533=34...(4) HB2 GLN 127 - HA ALA 46 far 10 96 10 - 7.5-9.0 Violated in 20 structures by 0.92 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 100 100 100 100 1.9-2.5 9175/2.1=82...(20) QG2 VAL 126 + HA ALA 46 OK 100 100 100 100 3.6-4.4 11616/2.1=61, ~9175=46...(18) QD2 LEU 53 - HA ALA 46 far 0 99 0 - 6.4-10.5 QG2 ILE 37 - HA ALA 46 far 0 71 0 - 8.8-10.4 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 5 assignments used, quality = 1.00: QD2 LEU 69 + HA ALA 46 OK 100 100 100 100 1.8-3.5 11054=99, 11045/2.1=74...(23) QD2 LEU 123 - HA ALA 46 far 0 97 0 - 4.8-9.3 QD2 LEU 48 - HA ALA 46 far 0 73 0 - 5.7-7.1 QD2 LEU 70 - HA ALA 46 far 0 93 0 - 6.5-8.7 QG1 VAL 118 - HA ALA 46 far 0 78 0 - 10.0-11.6 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 1.8-2.5 10409=81, 2.1/11616=35...(21) QG2 VAL 126 - QB ALA 46 far 0 100 0 - 3.8-4.4 QD2 LEU 53 - QB ALA 46 far 0 100 0 - 6.8-9.7 Violated in 0 structures by 0.00 A. Peak 9176 from aliabs.peaks (0.75, 1.34, 16.76 ppm; 3.11 A): 1 out of 8 assignments used, quality = 0.99: QD2 LEU 43 + QB ALA 46 OK 99 100 100 99 2.9-3.5 11071=75, 9129/9177=37...(17) HG12 ILE 129 - QB ALA 46 far 5 100 5 - 4.0-6.7 QD2 LEU 96 - QB ALA 46 far 0 100 0 - 4.3-5.2 QD1 LEU 96 - QB ALA 46 far 0 71 0 - 5.0-5.9 QG1 VAL 93 - QB ALA 46 far 0 100 0 - 6.6-7.7 QD1 ILE 37 - QB ALA 46 far 0 83 0 - 8.7-9.9 QD2 LEU 103 - QB ALA 46 far 0 92 0 - 9.1-12.1 QD1 ILE 32 - QB ALA 46 far 0 83 0 - 9.5-16.9 Violated in 19 structures by 0.20 A. Peak 9177 from aliabs.peaks (0.55, 1.34, 16.76 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.88: QD2 LEU 42 + QB ALA 46 OK 88 99 90 99 3.0-4.5 9129/9176=52...(15) Violated in 18 structures by 0.44 A. Peak 9178 from aliabs.peaks (-0.24, 1.34, 16.76 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9179 from aliabs.peaks (-0.51, 1.34, 16.76 ppm; 6.34 A): 0 out of 0 assignments used, quality = 0.00: Peak 9182 from aliabs.peaks (1.51, 1.34, 16.76 ppm; 4.01 A): 3 out of 4 assignments used, quality = 1.00: HG LEU 69 + QB ALA 46 OK 100 100 100 100 2.3-4.9 2.1/11063=79...(21) HG LEU 42 + QB ALA 46 OK 64 65 100 98 3.4-4.4 2.1/9177=82...(14) HB2 LEU 49 + QB ALA 46 OK 43 89 50 97 3.8-6.3 ~10898=31, ~10951=25...(21) HB2 LEU 53 - QB ALA 46 far 0 99 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 9183 from aliabs.peaks (1.69, 1.34, 16.76 ppm; 4.00 A): 1 out of 7 assignments used, quality = 0.63: HB2 LEU 43 + QB ALA 46 OK 63 97 65 99 4.2-5.1 3.2/9176=72, 3.0/1348=60...(12) HG LEU 48 - QB ALA 46 far 0 83 0 - 7.3-8.1 HD2 LYS 39 - QB ALA 46 far 0 92 0 - 7.4-9.9 HB3 LEU 70 - QB ALA 46 far 0 81 0 - 7.5-9.2 HD3 LYS 39 - QB ALA 46 far 0 83 0 - 8.0-10.0 HB2 LEU 70 - QB ALA 46 far 0 96 0 - 8.5-10.0 HG2 ARG 135 - QB ALA 46 far 0 99 0 - 9.5-12.4 Violated in 20 structures by 0.76 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 - 7.8-10.5 HB ILE 37 - QB ALA 46 far 0 100 0 - 9.6-11.2 Violated in 20 structures by 4.06 A. Peak 9185 from aliabs.peaks (2.13, 1.34, 16.76 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.90: HB3 LEU 69 + QB ALA 46 OK 68 76 90 100 3.8-5.5 1.8/9183=78...(23) HB VAL 126 + QB ALA 46 OK 68 68 100 100 4.1-5.1 2.1/9175=99...(11) HB2 GLU 97 - QB ALA 46 far 0 100 0 - 9.6-12.1 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 3.9-4.3 4.5=100 HE2 LYS 39 - QB ALA 46 far 0 92 0 - 6.9-10.2 HE3 LYS 39 - QB ALA 46 far 0 92 0 - 7.7-10.2 HD2 ARG 135 - QB ALA 46 far 0 96 0 - 9.5-12.4 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 5 assignments used, quality = 0.97: HA VAL 126 + QB ALA 46 OK 97 97 100 100 3.8-4.5 3.2/9175=90...(14) HA ILE 129 - QB ALA 46 far 9 57 15 - 5.3-6.4 HA LYS 39 - QB ALA 46 far 0 68 0 - 6.6-7.8 HA VAL 77 - QB ALA 46 far 0 68 0 - 9.8-10.7 HB3 HIS 67 - QB ALA 46 far 0 89 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9188 from aliabs.peaks (4.06, 1.34, 16.76 ppm; 4.23 A): 1 out of 8 assignments used, quality = 0.53: HA GLU 44 + QB ALA 46 OK 53 76 70 99 4.9-5.3 2.8/9132=56, 3.6/9192=48...(12) HB THR 65 - QB ALA 46 far 0 100 0 - 7.0-8.5 HA LEU 122 - QB ALA 46 far 0 71 0 - 7.8-9.1 HA PHE 89 - QB ALA 46 far 0 81 0 - 7.8-8.7 HA LEU 96 - QB ALA 46 far 0 97 0 - 8.3-9.1 HA ALA 92 - QB ALA 46 far 0 97 0 - 9.2-10.1 HD3 PRO 81 - QB ALA 46 far 0 63 0 - 9.6-14.3 HB2 SER 74 - QB ALA 46 far 0 98 0 - 10.0-12.0 Violated in 20 structures by 0.87 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 6.5-6.9 3.6/1455=93, ~6560=77...(13) HA LEU 49 + HA ALA 46 OK 83 83 100 100 5.2-6.5 3.0/10899=99...(13) HA CYS 45 + HA ALA 46 OK 65 65 100 100 4.7-4.8 4.8=100 HB THR 65 + HA ALA 46 OK 60 76 90 88 6.0-7.7 11055/11054=73...(4) Violated in 0 structures by 0.00 A. Peak 9190 from aliabs.peaks (8.28, 1.34, 16.76 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.95: H LEU 43 + QB ALA 46 OK 95 96 100 100 4.1-4.8 2.8/1348=62...(17) H ASP 131 - QB ALA 46 poor 20 100 20 - 4.6-5.7 H LEU 49 - QB ALA 46 poor 14 71 20 - 4.6-5.4 H VAL 126 - QB ALA 46 far 0 100 0 - 5.6-6.2 H LEU 69 - QB ALA 46 far 0 76 0 - 5.7-6.9 H GLU 40 - QB ALA 46 far 0 96 0 - 8.2-8.9 H LEU 123 - QB ALA 46 far 0 99 0 - 8.2-9.2 H LEU 96 - QB ALA 46 far 0 100 0 - 8.7-9.3 Violated in 20 structures by 0.44 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 4.3-5.0 6579/6568=74...(11) H SER 130 + QB ALA 46 OK 98 98 100 100 2.8-3.8 4143/11245=67...(15) H CYS 125 - QB ALA 46 far 0 100 0 - 7.6-8.2 H ALA 52 - QB ALA 46 far 0 87 0 - 8.2-8.8 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 7 assignments used, quality = 0.97: H LEU 100 + HA LEU 98 OK 85 85 100 100 4.1-5.3 3.1/3155=60, 7391=50...(18) H GLU 97 + HA LEU 98 OK 72 78 100 93 5.1-5.4 10021/3.7=61...(8) H ASP 47 + HA LEU 48 OK 28 31 100 93 5.0-5.2 6579/2.9=58, ~1467=48...(8) H ASP 47 - HA LEU 49 far 0 65 0 - 6.3-7.4 H LEU 70 - HA LEU 49 far 0 83 0 - 9.4-11.5 H HIS 4 - HA LEU 98 far 0 47 0 - 9.4-69.7 H LEU 70 - HA LEU 98 far 0 64 0 - 9.7-11.8 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 4.2-6.1 3.6/6585=100...(9) H LEU 70 - HB3 LEU 48 far 0 90 0 - 9.1-13.8 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 2.0-3.4 11703/2.9=62...(19) QG2 THR 65 + HA LEU 48 OK 54 57 95 100 4.1-5.3 10991/3.0=64...(18) QG2 THR 54 - HA LEU 49 far 0 92 0 - 6.3-7.5 QG2 THR 54 - HA LEU 48 far 0 48 0 - 7.2-7.9 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 1.9-4.9 10991/1.8=93...(24) QG2 THR 54 - HB3 LEU 48 far 0 65 0 - 8.5-9.6 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 1.9-4.8 10991=99, 9441/3.0=91...(20) QG2 THR 65 - HB3 LEU 122 far 3 66 5 - 6.2-9.3 QG2 THR 54 - HB3 LEU 122 far 0 55 0 - 7.6-13.4 QG2 THR 54 - HB2 LEU 48 far 0 92 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 9203 from aliabs.peaks (1.23, 4.10, 58.01 ppm; 5.91 A): 3 out of 5 assignments used, quality = 1.00: QG2 THR 65 + HA LEU 48 OK 99 99 100 100 4.1-5.3 10991/3.0=94...(19) QG2 THR 65 + HA LEU 49 OK 54 54 100 100 2.0-3.4 11703/2.9=95...(19) QG2 THR 54 + HA LEU 49 OK 31 55 80 70 6.3-7.5 9250/6656=32...(6) QG2 THR 54 - HA LEU 48 far 0 99 0 - 7.2-7.9 QG2 THR 65 - HA GLN 104 far 0 81 0 - 10.0-12.2 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 3.2-4.8 10991/3.0=76, 9441=72...(15) Violated in 0 structures by 0.00 A. Peak 9205 from aliabs.peaks (1.58, 0.90, 23.93 ppm; 4.49 A): 2 out of 10 assignments used, quality = 0.94: HG LEU 49 + QD2 LEU 48 OK 91 100 95 96 4.0-5.5 10992/10957=44...(22) HG LEU 49 + QD1 LEU 48 OK 33 65 55 91 4.0-6.0 10992/9430=27...(22) HG LEU 122 - QD2 LEU 98 far 0 40 0 - 6.3-9.4 HG LEU 123 - QD2 LEU 48 far 0 97 0 - 7.8-11.3 HB2 LEU 103 - QD2 LEU 98 far 0 75 0 - 8.6-10.2 HG LEU 123 - QD1 LEU 48 far 0 61 0 - 8.8-12.6 HG LEU 103 - QD2 LEU 98 far 0 61 0 - 9.4-12.4 HG LEU 122 - QD1 LEU 48 far 0 34 0 - 9.7-12.6 HG LEU 122 - QD2 LEU 48 far 0 63 0 - 9.8-11.5 HG2 ARG 23 - QD1 LEU 48 far 0 58 0 - 9.8-30.3 Violated in 8 structures by 0.06 A. Peak 9206 from aliabs.peaks (3.87, 0.80, 26.84 ppm; 4.16 A): 4 out of 8 assignments used, quality = 0.98: HA LEU 123 + QD2 LEU 49 OK 74 90 90 90 2.8-5.8 10393/11676=62...(20) HA ALA 46 + QD2 LEU 49 OK 66 71 95 97 2.0-5.1 9209/2.1=54, 10951=35...(20) HD2 PRO 81 + HG13 ILE 80 OK 51 51 100 100 2.4-4.9 2478/4.1=46, ~11178=35...(32) HA LYS 86 + HG13 ILE 80 OK 44 44 100 100 2.4-5.0 9727/2.1=62...(37) HB3 SER 50 - QD2 LEU 49 far 0 96 0 - 5.1-7.3 HA LEU 70 - QD2 LEU 49 far 0 93 0 - 6.1-8.2 HA3 GLY 75 - HG13 ILE 80 far 0 35 0 - 8.2-11.8 HA2 GLY 114 - QD2 LEU 49 far 0 92 0 - 9.6-16.7 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 2.3-6.4 11173/3.2=94...(21) Violated in 1 structures by 0.02 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: HA3 GLY 66 + QD2 LEU 49 OK 96 100 100 96 2.1-4.5 2.9/9434=26, 9448=26...(21) HA2 GLY 66 + QD2 LEU 49 OK 95 99 100 96 1.8-3.5 9210/2.1=29, 2.9/9434=26...(23) HD2 PRO 58 - QD2 LEU 49 far 0 90 0 - 8.1-11.8 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 7 assignments used, quality = 0.48: HA ALA 46 + QD1 LEU 49 OK 48 71 90 76 1.8-4.8 10898/2.1=25...(17) HA LEU 123 - QD1 LEU 49 poor 16 90 45 38 2.3-6.0 9206/2.1=16, 3914=8...(8) HB3 SER 50 - QD1 LEU 49 poor 15 96 25 64 3.2-6.4 11338/3.2=15...(18) HA LEU 70 - QD1 LEU 49 far 0 93 0 - 6.2-9.8 HA2 GLY 114 - QG2 VAL 63 far 0 49 0 - 8.7-13.9 HA2 GLY 114 - QD1 LEU 49 far 0 92 0 - 8.9-16.0 HA LEU 123 - QG2 VAL 63 far 0 47 0 - 9.0-10.9 Violated in 3 structures by 0.16 A. Peak 9210 from aliabs.peaks (3.65, 0.91, 23.35 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.88: HA2 GLY 66 + QD1 LEU 49 OK 70 81 95 91 1.9-5.7 9208/2.1=31, 2.9/9433=26...(16) HA3 GLY 66 + QD1 LEU 49 OK 61 90 75 90 3.1-6.5 9208/2.1=31, 2.9/9433=26...(14) HA3 GLY 66 - QG2 VAL 63 far 0 47 0 - 5.0-6.0 HA2 GLY 66 - QG2 VAL 63 far 0 40 0 - 6.4-7.3 Violated in 4 structures by 0.14 A. Peak 9218 from aliabs.peaks (0.79, 4.00, 62.52 ppm; 4.01 A): 1 out of 30 assignments used, quality = 0.99: QD1 LEU 53 + HA SER 50 OK 99 100 100 99 1.8-3.9 11422/11636=60...(20) QD2 LEU 49 - HA SER 50 far 10 100 10 - 4.8-6.0 QD2 LEU 122 - HA SER 50 far 5 99 5 - 4.5-9.5 QD1 ILE 32 - HA VAL 20 far 3 60 5 - 3.4-16.7 QD1 LEU 53 - HB3 SER 51 far 0 71 0 - 5.1-7.3 QD1 LEU 122 - HA SER 50 far 0 96 0 - 5.2-9.1 QD1 LEU 53 - HB3 SER 124 far 0 61 0 - 5.3-7.9 QD1 LEU 122 - HB3 SER 124 far 0 54 0 - 6.1-9.0 QD2 LEU 122 - HB2 SER 124 far 0 82 0 - 6.3-8.4 QD1 LEU 122 - HB2 SER 124 far 0 78 0 - 6.3-9.2 QD2 LEU 122 - HB3 SER 124 far 0 58 0 - 6.5-8.3 QD1 LEU 53 - HB2 SER 124 far 0 85 0 - 6.6-8.4 QD1 LEU 96 - HB2 SER 124 far 0 62 0 - 7.0-8.6 QD2 LEU 119 - HA SER 50 far 0 100 0 - 7.1-9.6 QD1 LEU 96 - HA SER 50 far 0 81 0 - 7.3-9.8 QD1 LEU 96 - HB3 SER 124 far 0 42 0 - 7.4-8.9 QD2 LEU 119 - HB3 SER 124 far 0 60 0 - 7.5-10.4 QD2 LEU 49 - HB3 SER 51 far 0 71 0 - 7.5-8.6 QD2 LEU 49 - HB3 SER 124 far 0 61 0 - 7.6-10.5 QD2 LEU 49 - HB2 SER 124 far 0 85 0 - 7.9-10.5 QD2 LEU 119 - HB2 SER 124 far 0 84 0 - 8.2-11.1 QD1 ILE 37 - HA VAL 20 far 0 60 0 - 8.9-20.8 QD2 LEU 122 - HB3 SER 51 far 0 68 0 - 9.1-13.2 QD1 LEU 103 - HA SER 50 far 0 95 0 - 9.1-11.9 QD1 LEU 103 - HB3 SER 124 far 0 53 0 - 9.2-13.0 QD1 LEU 122 - HB3 SER 51 far 0 64 0 - 9.3-12.2 QD1 LEU 103 - HB2 SER 124 far 0 76 0 - 9.4-12.8 QG2 ILE 129 - HA SER 50 far 0 57 0 - 9.5-11.4 QG2 ILE 129 - HB2 SER 124 far 0 43 0 - 9.7-10.4 QD2 LEU 119 - HB3 SER 51 far 0 70 0 - 9.8-12.3 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 3.4-4.0 9312/2.1=89, 2.1/9304=82...(17) QD1 LEU 62 - HA ALA 52 far 0 81 0 - 5.2-6.9 QD1 LEU 48 - HA ALA 52 far 0 71 0 - 5.3-7.6 QD1 LEU 49 - HA ALA 52 far 0 78 0 - 5.3-8.5 QD1 LEU 119 - HA ALA 52 far 0 100 0 - 6.1-9.5 QD1 LEU 123 - HA ALA 52 far 0 98 0 - 7.5-8.7 QG1 VAL 126 - HA ALA 52 far 0 78 0 - 8.8-10.2 QG2 VAL 126 - HA ALA 52 far 0 63 0 - 9.1-11.0 QG2 VAL 63 - HA ALA 52 far 0 73 0 - 9.7-11.1 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 2 assignments used, quality = 1.00: QD2 LEU 62 + HA ALA 52 OK 100 100 100 100 3.4-5.2 10996/2.1=99...(11) QD2 LEU 100 - HA ALA 52 far 0 100 0 - 9.0-11.2 Violated in 2 structures by 0.02 A. Peak 9231 from aliabs.peaks (0.90, 1.48, 18.03 ppm; 2.88 A): 2 out of 10 assignments used, quality = 0.65: QD2 LEU 48 + QB ALA 52 OK 44 98 100 45 2.9-3.2 9227/2.9=18...(7) QD1 LEU 62 + QB ALA 52 OK 38 98 45 85 3.1-5.1 2.1/10996=57, ~9230=17...(9) QD1 LEU 49 - QB ALA 52 far 10 99 10 - 3.0-5.7 QD2 LEU 123 - QB ALA 52 far 8 78 10 - 3.5-6.7 QD1 LEU 48 - QB ALA 52 far 5 100 5 - 2.9-5.3 QD1 LEU 123 - QB ALA 52 far 0 81 0 - 5.6-7.5 QG1 VAL 118 - QB ALA 52 far 0 97 0 - 6.6-8.9 QG2 VAL 63 - QB ALA 52 far 0 99 0 - 6.7-7.8 QG2 VAL 112 - QB ALA 52 far 0 85 0 - 9.4-11.9 QD1 LEU 22 - QB ALA 52 far 0 89 0 - 9.9-32.1 Violated in 16 structures by 0.07 A. Peak 9232 from aliabs.peaks (0.66, 1.48, 18.03 ppm; 3.04 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 62 + QB ALA 52 OK 96 97 100 100 1.8-3.2 10996=95, 9319/9317=43...(15) QD2 LEU 100 - QB ALA 52 far 0 95 0 - 5.9-7.8 Violated in 2 structures by 0.02 A. Peak 9238 from aliabs.peaks (2.00, 4.13, 54.29 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.97: HB2 GLU 55 + HA ALA 52 OK 97 97 100 100 3.8-4.8 11905=70, 1.8/11904=64...(12) HB3 LEU 53 - HA ALA 52 far 0 99 0 - 5.5-5.9 HG2 PRO 56 - HA ALA 52 far 0 99 0 - 7.0-8.1 HB3 PRO 56 - HA ALA 52 far 0 100 0 - 8.0-8.7 HG3 PRO 56 - HA ALA 52 far 0 97 0 - 8.2-9.1 HG2 PRO 58 - HA ALA 52 far 0 68 0 - 8.3-9.1 Violated in 17 structures by 0.29 A. Peak 9239 from aliabs.peaks (2.38, 4.13, 54.29 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.88: HG3 GLU 55 + HA ALA 52 OK 76 96 80 99 2.3-6.4 3.0/9238=80...(9) HG3 GLN 61 + HA ALA 52 OK 51 78 70 93 4.6-6.6 9242/2.1=53...(5) Violated in 6 structures by 0.09 A. Peak 9240 from aliabs.peaks (1.94, 1.48, 18.03 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.66: HB3 LEU 49 + QB ALA 52 OK 44 65 75 90 3.6-5.2 3.9/9247=33, 3.0/1631=33...(18) HG LEU 53 + QB ALA 52 OK 39 99 50 79 3.3-6.0 10944/10996=32...(7) HB2 PRO 58 - QB ALA 52 far 0 99 0 - 7.4-8.3 HG2 PRO 113 - QB ALA 52 far 0 97 0 - 9.5-13.7 Violated in 7 structures by 0.05 A. Peak 9241 from aliabs.peaks (2.06, 1.48, 18.03 ppm; 3.85 A): 2 out of 7 assignments used, quality = 0.71: HB VAL 57 + QB ALA 52 OK 57 57 100 100 3.6-4.3 2.1/9317=87, 2.1/9312=83...(17) HB3 GLU 55 + QB ALA 52 OK 33 87 40 95 4.2-6.4 ~9238=43, ~9238=40...(9) HB2 LEU 62 - QB ALA 52 far 5 100 5 - 4.7-6.1 HG3 PRO 58 - QB ALA 52 far 0 100 0 - 6.8-8.1 HB VAL 118 - QB ALA 52 far 0 99 0 - 8.4-10.7 HB2 GLN 127 - QB ALA 52 far 0 97 0 - 8.6-11.7 HB3 GLU 44 - QB ALA 52 far 0 95 0 - 9.9-11.8 Violated in 4 structures by 0.04 A. Peak 9242 from aliabs.peaks (2.39, 1.48, 18.03 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.92: HG3 GLN 61 + QB ALA 52 OK 86 87 100 99 2.3-4.8 10936/9317=59...(9) HG3 GLU 55 + QB ALA 52 OK 45 90 50 99 3.5-7.3 ~10909=55, ~9238=47...(10) HB3 PRO 58 - QB ALA 52 far 0 83 0 - 7.8-8.8 Violated in 1 structures by 0.00 A. Peak 9243 from aliabs.peaks (3.87, 1.48, 18.03 ppm; 4.38 A): 0 out of 4 assignments used, quality = 0.00: HA LEU 123 - QB ALA 52 far 0 76 0 - 5.7-7.7 HB3 SER 50 - QB ALA 52 far 0 100 0 - 6.0-6.8 HA2 GLY 114 - QB ALA 52 far 0 99 0 - 7.0-14.5 HA ALA 46 - QB ALA 52 far 0 87 0 - 7.2-8.2 Violated in 20 structures by 1.20 A. Peak 9244 from aliabs.peaks (3.91, 4.13, 54.29 ppm; 5.39 A): 1 out of 3 assignments used, quality = 0.58: HB2 SER 51 + HA ALA 52 OK 58 63 100 92 3.9-5.3 6649/2.9=56, 9219/3.6=39...(8) HD3 PRO 113 - HA ALA 52 far 0 78 0 - 9.6-15.8 HA2 GLY 111 - HA ALA 52 far 0 89 0 - 9.6-17.5 Violated in 0 structures by 0.00 A. Peak 9247 from aliabs.peaks (8.29, 1.48, 18.03 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.94: H LEU 49 + QB ALA 52 OK 94 95 100 100 4.3-5.3 11483/9232=56...(25) H LEU 123 - QB ALA 52 far 0 83 0 - 6.2-8.8 H VAL 126 - QB ALA 52 far 0 99 0 - 8.3-10.2 H LEU 69 - QB ALA 52 far 0 97 0 - 8.8-10.0 Violated in 10 structures by 0.19 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 1.8-5.0 10038=98, 10338/1679=58...(13) QD2 LEU 100 - HA LEU 53 far 0 100 0 - 6.6-11.2 Violated in 2 structures by 0.04 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 1.8-6.4 9252/1640=95, ~11809=82...(11) QD2 LEU 100 - HG LEU 53 lone 4 99 60 6 5.3-11.5 11387/1667=3 Violated in 0 structures by 0.00 A. Peak 9254 from aliabs.peaks (3.87, 0.97, 25.20 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.41: HA LEU 123 + QD2 LEU 53 OK 41 76 70 77 2.7-6.6 2.9/11818=40, ~11571=28...(12) HA2 GLY 114 - QD2 LEU 53 far 15 99 15 - 4.0-11.4 HB3 SER 50 - QD2 LEU 53 far 0 100 0 - 5.2-8.1 HA ALA 46 - QD2 LEU 53 far 0 87 0 - 6.4-10.5 HD2 PRO 117 - QD2 LEU 53 far 0 87 0 - 8.1-11.7 Violated in 14 structures by 0.67 A. Peak 9255 from aliabs.peaks (2.94, 0.97, 25.20 ppm; 4.68 A): 0 out of 2 assignments used, quality = 0.00: HB3 ASN 116 - QD2 LEU 53 far 0 99 0 - 6.1-9.8 HB2 CYS 45 - QD2 LEU 53 far 0 99 0 - 9.1-13.9 Violated in 20 structures by 2.75 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 - 6.0-11.7 HB3 PRO 113 - QD2 LEU 53 far 0 100 0 - 6.4-11.9 Violated in 20 structures by 2.45 A. Peak 9257 from aliabs.peaks (2.95, 0.79, 26.16 ppm; 6.34 A): 1 out of 6 assignments used, quality = 0.46: HB3 ASN 121 + QD2 LEU 122 OK 46 46 100 100 2.7-6.2 11092/2.1=82...(17) HB3 ASN 116 - QD2 LEU 122 poor 18 70 25 - 6.0-10.5 HB3 ASN 121 - QD1 LEU 53 poor 9 63 45 33 6.0-9.4 4.3/3900=19...(3) HB3 ASN 116 - QD1 LEU 53 far 0 90 0 - 8.1-11.1 HB2 CYS 45 - QD2 LEU 122 far 0 73 0 - 8.2-11.8 HB2 CYS 45 - QD1 LEU 53 far 0 93 0 - 8.3-13.1 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 4 81 5 - 5.6-9.4 HB3 HIS 67 - QD1 LEU 53 far 0 99 0 - 9.0-14.6 Violated in 20 structures by 2.13 A. Peak 9259 from aliabs.peaks (4.34, 0.79, 26.16 ppm; 4.53 A): 0 out of 11 assignments used, quality = 0.00: HA CYS 125 - QD2 LEU 122 far 10 65 15 - 5.0-8.3 HA ASN 59 - QD2 LEU 122 far 0 83 0 - 5.5-9.4 HA ASP 47 - QD1 LEU 53 far 0 100 0 - 5.7-8.2 HA ASN 59 - QD1 LEU 53 far 0 100 0 - 6.5-11.4 HA PRO 117 - QD2 LEU 122 far 0 48 0 - 6.6-9.8 HA LEU 69 - QD2 LEU 122 far 0 77 0 - 6.8-10.3 HA CYS 125 - QD1 LEU 53 far 0 85 0 - 7.2-9.3 HA ASP 47 - QD2 LEU 122 far 0 84 0 - 7.5-12.0 HA PRO 113 - QD1 LEU 53 far 0 63 0 - 7.5-12.1 HA PRO 117 - QD1 LEU 53 far 0 65 0 - 7.8-10.1 HA LEU 69 - QD1 LEU 53 far 0 97 0 - 8.4-14.1 Violated in 20 structures by 0.48 A. Peak 9260 from aliabs.peaks (4.35, 0.97, 25.20 ppm; 4.87 A): 0 out of 6 assignments used, quality = 0.00: HA ASN 59 - QD2 LEU 53 far 9 95 10 - 5.3-11.4 HA PRO 117 - QD2 LEU 53 far 0 89 0 - 5.9-9.0 HA PRO 113 - QD2 LEU 53 far 0 87 0 - 5.9-10.3 HA ASP 47 - QD2 LEU 53 far 0 97 0 - 7.4-9.9 HA CYS 125 - QD2 LEU 53 far 0 98 0 - 8.1-10.3 HA LEU 69 - QD2 LEU 53 far 0 100 0 - 9.2-14.9 Violated in 20 structures by 0.80 A. Peak 9263 from aliabs.peaks (4.18, 1.24, 21.56 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.95: HA LEU 53 + QG2 THR 54 OK 95 100 100 95 4.5-4.7 3.6/6684=58, 3.0/9272=54...(7) HA GLU 128 - QG2 THR 54 far 0 97 0 - 9.9-12.7 Violated in 20 structures by 0.66 A. Peak 9269 from aliabs.peaks (2.04, 4.42, 61.58 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLU 55 + HA THR 54 OK 100 100 100 100 4.9-5.3 6693/3.6=100, ~9268=68...(7) HG3 PRO 113 - HA THR 54 far 0 93 0 - 8.9-13.6 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 = 0.68: HB3 LEU 53 + QG2 THR 54 OK 68 71 100 96 2.8-4.5 3.0/9263=67, 3.1/9278=57...(6) HB2 GLU 55 - QG2 THR 54 far 0 78 0 - 6.3-6.7 Violated in 1 structures by 0.02 A. Peak 9275 from aliabs.peaks (0.90, 1.24, 21.56 ppm; 3.17 A): 2 out of 7 assignments used, quality = 0.81: QD2 LEU 123 + QG2 THR 54 OK 60 81 85 88 1.8-6.3 11510=60, 2.1/11584=31...(10) QD1 LEU 123 + QG2 THR 54 OK 52 78 80 84 3.0-6.0 2.1/11510=59, 11584=33...(9) QD1 LEU 49 - QG2 THR 54 far 0 98 0 - 5.1-8.8 QD1 LEU 62 - QG2 THR 54 far 0 97 0 - 5.9-7.9 QD2 LEU 48 - QG2 THR 54 far 0 99 0 - 6.7-7.5 QD1 LEU 48 - QG2 THR 54 far 0 99 0 - 7.3-9.2 QG1 VAL 118 - QG2 THR 54 far 0 97 0 - 8.4-11.4 Violated in 7 structures by 0.30 A. Peak 9277 from aliabs.peaks (0.92, 4.42, 61.58 ppm; 5.84 A): 1 out of 8 assignments used, quality = 0.83: QD1 LEU 123 + HA THR 54 OK 83 97 85 100 5.2-8.2 ~11510=76, ~11583=75...(8) QD1 LEU 119 - HA THR 54 lone 1 76 30 3 5.8-9.0 10282/3.6=1 QD1 LEU 62 - HA THR 54 lone 1 100 35 2 6.2-8.6 QD1 LEU 49 - HA THR 54 far 0 100 0 - 7.5-11.7 QG1 VAL 57 - HA THR 54 far 0 65 0 - 7.7-8.1 QD2 LEU 48 - HA THR 54 far 0 83 0 - 9.2-9.7 QG1 VAL 118 - HA THR 54 far 0 78 0 - 9.6-13.4 QD1 LEU 48 - HA THR 54 far 0 99 0 - 9.7-12.1 Violated in 11 structures by 0.39 A. Peak 9278 from aliabs.peaks (0.78, 1.24, 21.56 ppm; 4.28 A): 1 out of 7 assignments used, quality = 0.95: QD1 LEU 53 + QG2 THR 54 OK 95 97 100 99 1.7-4.6 11422/11510=66...(10) QD2 LEU 119 - QG2 THR 54 far 0 99 0 - 5.6-9.5 QD1 LEU 122 - QG2 THR 54 far 0 73 0 - 5.8-9.5 QD2 LEU 122 - QG2 THR 54 far 0 100 0 - 6.2-10.9 QD2 LEU 49 - QG2 THR 54 far 0 92 0 - 6.5-8.3 QD1 LEU 103 - QG2 THR 54 far 0 100 0 - 8.4-11.3 QD1 LEU 96 - QG2 THR 54 far 0 98 0 - 8.7-12.5 Violated in 5 structures by 0.05 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 1.8-4.0 4.8=64, 4.8/6692=45...(27) HD3 PRO 56 + HB2 GLU 55 OK 99 99 100 100 1.7-3.8 4.8=64, 4.8/6692=45...(26) 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 2.9-4.9 4.8=62, 4.8/6693=42...(34) HD3 PRO 56 + HB3 GLU 55 OK 99 99 100 100 3.0-4.9 4.8=62, 4.8/6693=42...(33) Violated in 0 structures by 0.00 A. Peak 9283 from aliabs.peaks (3.65, 2.45, 33.76 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.91: HD2 PRO 56 + HG2 GLU 55 OK 73 98 75 100 4.0-5.6 4.8/6694=44, 10912=40...(30) HD3 PRO 56 + HG2 GLU 55 OK 65 100 65 100 4.2-5.5 4.8/6694=44, 10912=39...(29) HD2 PRO 58 - HG2 GLU 55 far 0 57 0 - 7.4-10.1 Violated in 8 structures by 0.04 A. Peak 9284 from aliabs.peaks (3.65, 2.37, 33.76 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.98: HD2 PRO 56 + HG3 GLU 55 OK 88 98 90 100 2.7-5.9 4.8/6695=47, 9291=46...(31) HD3 PRO 56 + HG3 GLU 55 OK 85 100 85 100 2.8-5.8 9291=50, 4.8/6695=47...(29) HD2 PRO 58 - HG3 GLU 55 far 0 57 0 - 6.2-10.2 Violated in 3 structures by 0.01 A. Peak 9285 from aliabs.peaks (3.83, 2.45, 33.76 ppm; 6.42 A): 1 out of 6 assignments used, quality = 0.34: HD2 PRO 81 + HG3 GLN 82 OK 34 35 100 100 4.0-6.9 ~11247=67, ~11250=64...(12) HD2 PRO 81 - HG2 GLN 82 poor 20 27 75 - 5.1-8.1 HD3 PRO 58 - HG2 GLU 55 far 5 99 5 - 7.0-10.8 HB2 SER 50 - HG2 GLU 55 far 0 100 0 - 8.0-11.8 HA LEU 62 - HG2 GLU 55 far 0 99 0 - 8.1-12.4 HA LEU 123 - HG2 GLU 55 far 0 73 0 - 9.9-14.8 Violated in 15 structures by 0.21 A. Peak 9286 from aliabs.peaks (3.88, 2.37, 33.76 ppm; 5.25 A): 0 out of 2 assignments used, quality = 0.00: HA2 GLY 114 - HG3 GLU 55 far 0 100 0 - 8.0-15.7 HB3 SER 50 - HG3 GLU 55 far 0 100 0 - 8.4-12.6 Violated in 20 structures by 3.89 A. Peak 9287 from aliabs.peaks (1.58, 2.45, 33.76 ppm; 5.92 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 123 - HG2 GLU 55 far 0 89 0 - 7.8-12.4 HG LEU 49 - HG2 GLU 55 far 0 97 0 - 8.7-13.2 Violated in 20 structures by 3.06 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 4.7-5.3 4.2/6694=71, 9289/1.8=51...(5) HG12 ILE 80 - HG3 GLN 82 far 3 50 5 - 5.1-9.9 QG2 THR 83 - HG3 GLN 82 far 0 57 0 - 6.2-7.7 QG2 THR 83 - HG2 GLN 82 far 0 44 0 - 6.3-7.9 HG12 ILE 80 - HG2 GLN 82 far 0 39 0 - 6.4-10.0 QG2 THR 65 - HG2 GLU 55 far 0 100 0 - 7.1-11.3 Violated in 9 structures by 0.03 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 4.1-6.5 9288/1.8=93, 4.2/6695=89...(4) QG2 THR 65 - HG3 GLU 55 far 0 95 0 - 7.8-12.2 Violated in 3 structures by 0.03 A. Peak 9291 from aliabs.peaks (2.36, 3.65, 49.73 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.96: HG3 GLU 55 + HD3 PRO 56 OK 83 98 85 100 2.8-5.8 9284=45, 6695/4.8=44...(29) HG3 GLU 55 + HD2 PRO 56 OK 77 85 90 100 2.7-5.9 9284=47, 6695/4.8=44...(30) Violated in 5 structures by 0.03 A. Peak 9292 from aliabs.peaks (0.93, 3.65, 49.73 ppm; 4.85 A): 2 out of 8 assignments used, quality = 0.71: QG1 VAL 57 + HD2 PRO 56 OK 62 83 75 99 4.7-5.9 10920/3.6=64...(11) QG1 VAL 57 + HD3 PRO 56 OK 24 97 25 98 4.8-5.9 10920/3.6=64...(10) QD1 LEU 119 - HD3 PRO 56 far 0 99 0 - 6.7-11.0 QD1 LEU 119 - HD2 PRO 56 far 0 87 0 - 7.2-10.5 QD1 LEU 62 - HD2 PRO 56 far 0 72 0 - 7.5-9.4 QD1 LEU 62 - HD3 PRO 56 far 0 87 0 - 7.5-9.4 QG2 VAL 112 - HD3 PRO 56 far 0 99 0 - 8.3-13.5 QG2 VAL 112 - HD2 PRO 56 far 0 86 0 - 9.0-13.3 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 7 assignments used, quality = 0.40: QG1 VAL 57 + HG2 GLU 55 OK 40 85 50 95 3.7-6.0 9315/3.0=60, ~9314=43...(9) QD1 LEU 62 - HG2 GLU 55 far 0 97 0 - 5.8-9.6 QD2 LEU 48 - HG2 GLU 55 far 0 63 0 - 6.1-8.3 QD1 LEU 49 - HG2 GLU 55 far 0 97 0 - 6.5-12.6 QD1 LEU 119 - HG2 GLU 55 far 0 92 0 - 7.1-11.2 QD1 LEU 123 - HG2 GLU 55 far 0 100 0 - 7.4-11.2 QD1 LEU 48 - HG2 GLU 55 far 0 93 0 - 8.5-10.9 Violated in 12 structures by 0.86 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 1.9-3.6 9309/2.1=77, 9306/2.1=74...(22) HD3 PRO 56 - HB VAL 57 far 0 81 0 - 7.3-8.3 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 1.9-3.7 9308/2.1=84, 1.8/9302=79...(21) HA LEU 62 - HB VAL 57 far 0 96 0 - 5.1-6.5 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 2.4-3.4 2.1/9317=82, 10908=55...(16) HA3 GLY 114 - QG2 VAL 57 far 4 87 5 - 4.4-12.4 Violated in 0 structures by 0.00 A. Peak 9305 from aliabs.peaks (3.83, 0.86, 19.34 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.28: HA LEU 62 + QG2 VAL 57 OK 28 100 30 94 4.3-5.7 1998/9319=58...(10) HD3 PRO 58 - QG2 VAL 57 poor 19 97 20 - 3.6-4.7 HA LEU 123 - QG2 VAL 57 far 0 81 0 - 8.1-9.3 HB2 SER 50 - QG2 VAL 57 far 0 99 0 - 8.7-9.7 HA VAL 118 - QG2 VAL 57 far 0 71 0 - 9.3-11.4 Violated in 20 structures by 1.13 A. Peak 9306 from aliabs.peaks (3.62, 0.86, 19.34 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.95: HD2 PRO 58 + QG2 VAL 57 OK 95 100 95 100 3.6-4.6 9309/2.1=75, 9302/2.1=63...(26) HD3 PRO 56 - QG2 VAL 57 poor 14 71 20 - 4.4-5.5 HA3 GLY 66 - QG2 VAL 57 far 0 96 0 - 8.4-9.7 HA2 GLY 66 - QG2 VAL 57 far 0 99 0 - 8.6-9.9 Violated in 11 structures by 0.19 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 3.4-4.0 2.1/9312=79, 9229=67...(17) HA GLN 101 + QG1 VAL 105 OK 29 50 80 72 3.4-5.9 3.8/11503=23, ~11501=18...(11) HA LEU 49 - QG1 VAL 57 far 0 87 0 - 6.2-7.4 HA LEU 98 - QG1 VAL 105 far 0 50 0 - 6.3-9.6 HA3 GLY 114 - QG1 VAL 57 far 0 100 0 - 6.7-14.4 HA LEU 48 - QG1 VAL 57 far 0 71 0 - 7.6-9.0 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 1.9-3.1 1.8/9309=73, 3.9=68...(24) HA LEU 62 - QG1 VAL 57 far 0 96 0 - 5.5-6.9 HB2 SER 9 - QG1 VAL 105 far 0 61 0 - 6.5-48.6 HB3 SER 9 - QG1 VAL 105 far 0 42 0 - 6.8-49.0 HA VAL 118 - QG1 VAL 105 far 0 52 0 - 9.6-11.9 HB2 SER 50 - QG1 VAL 57 far 0 100 0 - 10.0-11.2 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 4 assignments used, quality = 1.00: HD2 PRO 58 + QG1 VAL 57 OK 100 100 100 100 1.9-2.8 1.8/9308=70, 3.9=66...(24) HA3 GLY 66 - QG1 VAL 105 far 0 52 0 - 9.3-11.1 HA3 GLY 66 - QG1 VAL 57 far 0 87 0 - 9.7-11.0 HA2 GLY 66 - QG1 VAL 57 far 0 95 0 - 9.8-11.2 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 8 assignments used, quality = 0.00: HG LEU 62 - QG1 VAL 57 poor 20 78 25 - 4.0-5.7 HD2 LYS 24 - QG1 VAL 105 far 0 65 0 - 7.9-36.8 HB2 LEU 98 - QG1 VAL 105 far 0 47 0 - 8.1-11.5 HD3 LYS 24 - QG1 VAL 105 far 0 57 0 - 8.1-36.1 HD3 LYS 24 - QG1 VAL 57 far 0 93 0 - 8.4-37.5 HD2 LYS 26 - QG1 VAL 57 far 0 99 0 - 8.8-38.6 HD3 LYS 26 - QG1 VAL 57 far 0 100 0 - 9.4-37.7 HD2 LYS 24 - QG1 VAL 57 far 0 99 0 - 9.4-38.6 Violated in 20 structures by 1.07 A. Peak 9312 from aliabs.peaks (1.48, 0.94, 21.27 ppm; 3.25 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 52 + QG1 VAL 57 OK 99 100 100 99 2.4-3.9 9317/2.1=67...(14) HB2 LEU 49 - QG1 VAL 57 far 0 81 0 - 7.8-9.8 HG3 LYS 24 - QG1 VAL 57 far 0 63 0 - 8.7-37.7 HG3 LYS 24 - QG1 VAL 105 far 0 35 0 - 9.5-36.9 Violated in 5 structures by 0.07 A. Peak 9314 from aliabs.peaks (1.98, 0.86, 19.34 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.91: HB2 GLU 55 + QG2 VAL 57 OK 91 97 100 95 3.4-4.2 9315/2.1=72...(12) HB3 PRO 56 - QG2 VAL 57 far 0 81 0 - 4.7-5.0 HG2 PRO 56 - QG2 VAL 57 far 0 63 0 - 4.8-5.4 HB3 LEU 53 - QG2 VAL 57 far 0 93 0 - 5.6-6.4 Violated in 17 structures by 0.28 A. Peak 9315 from aliabs.peaks (1.98, 0.94, 21.27 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.64: HB2 GLU 55 + QG1 VAL 57 OK 64 99 75 86 3.5-4.5 9314/2.1=60, 3.0/9294=28...(9) HB3 MET 11 - QG1 VAL 105 far 2 33 5 - 3.7-44.6 HG2 PRO 56 - QG1 VAL 57 far 0 73 0 - 4.3-4.8 HB3 PRO 56 - QG1 VAL 57 far 0 89 0 - 4.6-5.0 HG3 PRO 56 - QG1 VAL 57 far 0 65 0 - 5.8-6.2 HB3 LEU 53 - QG1 VAL 57 far 0 97 0 - 7.4-8.2 Violated in 20 structures by 0.68 A. Peak 9316 from aliabs.peaks (1.65, 0.86, 19.34 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.97: HG LEU 62 + QG2 VAL 57 OK 97 98 100 99 2.3-4.0 2.1/9319=75, 9311/2.1=46...(10) HB2 LEU 123 - QG2 VAL 57 far 0 100 0 - 8.0-10.1 Violated in 3 structures by 0.04 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 1.9-2.7 9312/2.1=54, 2.1/9304=47...(18) HB2 LEU 49 - QG2 VAL 57 far 0 96 0 - 6.4-8.6 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 65 - QG2 VAL 57 far 0 71 0 - 5.4-7.1 QG2 THR 54 - QG2 VAL 57 far 0 97 0 - 5.9-6.2 Violated in 20 structures by 1.26 A. Peak 9319 from aliabs.peaks (0.69, 0.86, 19.34 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.86: QD2 LEU 62 + QG2 VAL 57 OK 86 87 100 99 2.1-3.3 10032=55, 2.1/9316=53...(12) QD2 LEU 100 - QG2 VAL 57 far 0 90 0 - 6.7-8.8 Violated in 1 structures by 0.01 A. Peak 9321 from aliabs.peaks (1.46, 2.09, 32.84 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.85: QB ALA 52 + HB VAL 57 OK 85 85 100 100 3.6-4.3 9317/2.1=85, 9312/2.1=83...(17) HG3 LYS 24 - HB VAL 57 far 0 95 0 - 9.8-44.8 Violated in 0 structures by 0.00 A. Peak 9322 from aliabs.peaks (2.00, 4.59, 58.62 ppm; 4.38 A): 3 out of 5 assignments used, quality = 1.00: HB3 PRO 56 + HA VAL 57 OK 98 100 100 98 4.3-4.3 ~6697=44, ~10919=36...(18) HG2 PRO 56 + HA VAL 57 OK 81 100 100 81 5.0-5.1 ~9292=24, 6700/3.0=20...(11) HG2 PRO 58 + HA VAL 57 OK 73 73 100 100 4.5-4.7 ~9309=41, ~9308=41...(25) HB2 GLU 55 - HA VAL 57 far 0 96 0 - 5.6-6.5 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 7 assignments used, quality = 1.00: QG1 VAL 57 + HD2 PRO 58 OK 100 100 100 100 1.9-2.8 3.9=100 QD1 LEU 62 - HD2 PRO 58 poor 16 63 25 - 4.5-7.7 QD1 LEU 119 - HD2 PRO 58 far 0 100 0 - 6.5-9.8 QD2 LEU 53 - HD2 PRO 58 far 0 71 0 - 7.1-11.3 QG2 VAL 112 - HD2 PRO 58 far 0 87 0 - 7.9-11.8 QD1 LEU 49 - HD2 PRO 58 far 0 60 0 - 8.1-13.1 QG1 VAL 112 - HD2 PRO 58 far 0 73 0 - 8.4-12.1 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 3.6-4.6 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 7 assignments used, quality = 1.00: QG1 VAL 57 + HD3 PRO 58 OK 100 100 100 100 1.9-3.1 3.9=100 QD1 LEU 62 - HD3 PRO 58 far 6 63 10 - 5.3-7.3 QD1 LEU 119 - HD3 PRO 58 far 0 100 0 - 6.9-9.6 QG2 VAL 112 - HD3 PRO 58 far 0 87 0 - 7.2-12.3 QG1 VAL 112 - HD3 PRO 58 far 0 73 0 - 7.6-11.5 QD2 LEU 53 - HD3 PRO 58 far 0 71 0 - 7.8-12.1 QD1 LEU 49 - HD3 PRO 58 far 0 60 0 - 9.5-12.9 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 3.6-4.7 4.6=100 Violated in 0 structures by 0.00 A. Peak 9327 from aliabs.peaks (0.81, 1.95, 32.16 ppm; 6.80 A): 7 out of 26 assignments used, quality = 1.00: QG2 ILE 80 + HB3 PRO 81 OK 84 84 100 100 4.2-4.7 11281/1.8=99...(34) HG13 ILE 80 + HB3 PRO 81 OK 68 85 80 100 5.8-8.1 ~11281=78, ~11248=74...(29) HG13 ILE 80 + HB3 LYS 86 OK 65 65 100 100 4.4-6.9 2.1/9721=99...(39) QG2 ILE 80 + HB3 LYS 86 OK 64 64 100 100 2.5-4.2 3.1/9721=99, 9821/1.8=99...(42) QD2 LEU 119 + HB2 PRO 58 OK 63 78 85 95 6.6-11.3 10927/2.3=93, 10993/9333=24 QG2 ILE 129 + HB2 LYS 95 OK 45 77 70 84 7.3-8.8 9946/9948=83, 2456/9825=2 QG1 VAL 133 + HB3 PRO 81 OK 32 47 70 99 4.4-11.4 ~11757=84, 10574/2.3=49...(11) QD2 LEU 122 - HB3 LYS 95 poor 17 61 70 40 5.3-8.4 11828/11652=13...(10) QD1 LEU 122 - HB3 LYS 95 far 14 92 15 - 6.8-9.0 QD1 LEU 122 - HB2 LYS 95 far 13 85 15 - 7.3-9.7 QD2 LEU 122 - HB2 LYS 95 poor 11 54 55 37 5.8-9.0 11828/11652=12...(10) QD1 LEU 70 - HB2 LYS 95 far 9 86 10 - 7.2-9.2 QG1 VAL 63 - HB2 PRO 58 far 6 60 10 - 7.6-8.2 QG1 VAL 133 - HB3 LYS 86 far 2 34 5 - 7.5-9.9 QD1 LEU 70 - HB3 LYS 95 far 0 93 0 - 7.9-9.7 QG2 ILE 129 - HB3 LYS 95 far 0 85 0 - 8.3-10.0 QG2 ILE 129 - HB3 LYS 86 far 0 57 0 - 8.8-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 83 0 - 8.9-11.2 QD2 LEU 49 - HB2 PRO 58 far 0 93 0 - 9.1-12.1 QD2 LEU 22 - HB2 PRO 58 far 0 57 0 - 9.1-39.6 QD2 LEU 49 - HB2 LYS 95 far 0 76 0 - 9.2-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 69 0 - 9.2-13.1 QD1 LEU 122 - HB2 PRO 58 far 0 100 0 - 9.2-11.9 QD1 LEU 53 - HB2 PRO 58 far 0 87 0 - 9.3-13.7 QD1 LEU 53 - HB3 LYS 95 far 0 76 0 - 9.3-12.7 QD2 LEU 122 - HB2 PRO 58 far 0 71 0 - 9.4-12.7 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 = 0.79: QB ALA 109 + HB2 ASN 59 OK 79 97 85 96 3.1-6.9 9356/1.8=74...(8) QB ALA 108 - HB2 ASN 59 poor 14 87 30 52 3.1-7.4 9341/3.5=24, 9346/3.5=18...(4) QB ALA 110 - HB2 ASN 59 poor 7 92 25 30 3.5-9.1 9349/6717=18, 9356/1.8=8...(4) HB3 LEU 100 - HB2 ASN 59 far 0 73 0 - 8.7-12.7 Violated in 4 structures by 0.21 A. Peak 9354 from aliabs.peaks (0.91, 2.61, 38.13 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 63 + HB2 ASN 59 OK 100 100 100 100 3.0-5.2 10967=94, 10968/1.8=63...(16) QD1 LEU 62 + HB2 ASN 59 OK 85 100 85 100 3.9-6.0 9388/3.0=72, 10947=61...(28) QG2 VAL 112 - HB2 ASN 59 poor 19 95 20 - 3.6-8.2 QD1 LEU 119 - HB2 ASN 59 poor 13 63 20 - 4.4-7.2 QG1 VAL 118 - HB2 ASN 59 far 0 89 0 - 5.3-8.6 QD1 LEU 49 - HB2 ASN 59 far 0 100 0 - 9.0-12.4 Violated in 4 structures by 0.02 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 1.9-5.4 11833=100, 11834/1.8=88...(19) QD2 LEU 119 + HB2 ASN 59 OK 58 97 75 80 3.1-8.1 10700/3.0=27...(12) QG1 VAL 63 - HB2 ASN 59 far 15 100 15 - 5.3-7.7 QD1 LEU 122 - HB2 ASN 59 far 0 63 0 - 6.1-10.5 QD2 LEU 122 - HB2 ASN 59 far 0 99 0 - 6.3-10.7 QD1 LEU 53 - HB2 ASN 59 far 0 92 0 - 8.2-13.1 QD2 LEU 49 - HB2 ASN 59 far 0 85 0 - 8.6-12.0 Violated in 1 structures by 0.01 A. Peak 9356 from aliabs.peaks (1.41, 2.87, 38.13 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.56: QB ALA 109 + HB3 ASN 59 OK 56 78 85 84 3.0-6.8 9353/1.8=49...(7) QB ALA 110 - HB3 ASN 59 poor 6 65 45 20 2.0-8.6 9349/6718=12, 9353/1.8=4...(4) Violated in 7 structures by 0.27 A. Peak 9357 from aliabs.peaks (0.91, 2.87, 38.13 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 63 + HB3 ASN 59 OK 99 100 100 99 3.3-5.1 10967/1.8=81, 10968=59...(16) QD1 LEU 62 + HB3 ASN 59 OK 45 100 45 100 4.6-6.2 9388/3.0=78...(28) QG2 VAL 112 - HB3 ASN 59 poor 11 97 35 32 4.0-7.7 11496/9356=25...(4) QD1 LEU 119 - HB3 ASN 59 far 11 71 15 - 4.6-7.9 QG1 VAL 118 - HB3 ASN 59 far 4 83 5 - 5.1-8.3 QG1 VAL 57 - HB3 ASN 59 far 0 60 0 - 8.1-8.6 QD1 LEU 49 - HB3 ASN 59 far 0 100 0 - 9.9-12.9 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 12 assignments used, quality = 0.80: HG2 LYS 24 + HA LYS 24 OK 68 68 100 100 2.1-3.5 4.1=100 QB ALA 109 + HA ASN 59 OK 36 97 40 92 4.7-8.7 9356/3.0=52, 9349/2.9=46...(8) QB ALA 110 - HA ASN 59 far 9 92 10 - 4.3-10.0 HG3 LYS 26 - HA LYS 24 far 8 78 10 - 5.0-9.3 QB ALA 108 - HA ASN 59 far 4 87 5 - 4.2-9.2 HG3 LYS 31 - HA LYS 24 far 4 84 5 - 4.7-20.7 QB ALA 28 - HA LYS 24 far 4 83 5 - 5.6-12.8 QB ALA 34 - HA LYS 24 far 0 76 0 - 6.5-24.2 QB ALA 29 - HA LYS 24 far 0 72 0 - 7.2-14.5 QB ALA 16 - HA LYS 24 far 0 90 0 - 9.1-16.2 HB3 LEU 100 - HA ASN 59 far 0 73 0 - 9.5-11.8 HB2 LEU 42 - HA ASP 47 far 0 37 0 - 9.6-10.4 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 10 assignments used, quality = 1.00: HB3 LEU 62 + HA ASN 59 OK 99 99 100 100 2.5-5.1 1.8/1880=100...(23) QG2 THR 25 + HA LYS 24 OK 52 52 100 100 3.7-5.5 10697/3.0=87...(14) QG2 THR 115 - HA ASN 59 poor 5 81 25 24 5.2-9.0 10195/10700=13, 10196/9359=11 HG12 ILE 32 - HA LYS 24 far 5 90 5 - 4.7-18.8 QG2 THR 18 - HA LYS 24 far 0 78 0 - 7.0-13.3 QG2 THR 25 - HA ASN 59 far 0 63 0 - 8.0-36.3 QG2 THR 25 - HA ASP 47 far 0 31 0 - 9.3-33.1 QB ALA 41 - HA LYS 24 far 0 54 0 - 9.5-22.8 QG2 VAL 132 - HA ASP 47 far 0 56 0 - 9.8-11.1 QB ALA 41 - HA ASP 47 far 0 32 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9361 from aliabs.peaks (0.92, 4.33, 56.25 ppm; 3.94 A): 4 out of 20 assignments used, quality = 1.00: QD1 LEU 62 + HA ASN 59 OK 100 100 100 100 1.9-3.6 9388=100, 3.2/1880=63...(19) QG2 VAL 63 + HA ASN 59 OK 96 99 100 97 3.5-4.2 10967/3.0=49...(17) QD1 LEU 119 + HA ASN 59 OK 25 81 55 56 3.7-6.2 2.1/10700=18...(9) QD1 LEU 49 + HA ASP 47 OK 24 59 65 63 3.9-6.9 10904/3.0=16...(12) QD1 LEU 48 - HA ASP 47 far 6 57 10 - 4.7-7.1 QG2 VAL 20 - HA LYS 24 far 3 61 5 - 4.0-9.3 QD1 LEU 123 - HA ASP 47 far 0 57 0 - 5.1-7.2 QG2 VAL 112 - HA ASN 59 far 0 99 0 - 5.2-9.0 QG1 VAL 118 - HA ASN 59 far 0 73 0 - 5.3-7.4 QG1 VAL 20 - HA LYS 24 far 0 87 0 - 6.0-10.1 QD2 LEU 48 - HA ASP 47 far 0 40 0 - 6.1-6.7 QG1 VAL 57 - HA ASN 59 far 0 71 0 - 6.6-6.8 QD1 LEU 48 - HA LYS 24 far 0 88 0 - 7.0-29.7 QD1 LEU 49 - HA ASN 59 far 0 100 0 - 7.6-10.7 QD2 LEU 48 - HA LYS 24 far 0 66 0 - 8.6-30.6 QG1 VAL 57 - HA LYS 24 far 0 59 0 - 8.6-36.0 QD2 LEU 48 - HA ASN 59 far 0 78 0 - 9.6-11.1 QD1 LEU 48 - HA ASN 59 far 0 99 0 - 9.6-12.5 QG2 ILE 37 - HA LYS 24 far 0 76 0 - 9.8-22.4 QD1 LEU 62 - HA ASP 47 far 0 59 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 9362 from aliabs.peaks (0.75, 4.33, 56.25 ppm; 4.70 A): 1 out of 8 assignments used, quality = 0.92: QD2 LEU 103 + HA ASN 59 OK 92 92 100 100 2.1-5.1 10350=84, 11829/3.0=60...(26) QD1 ILE 32 - HA LYS 24 far 4 70 5 - 5.2-15.9 QD2 LEU 43 - HA ASP 47 far 3 59 5 - 5.4-7.2 QD1 LEU 96 - HA ASP 47 far 0 35 0 - 8.2-9.9 HG12 ILE 129 - HA ASP 47 far 0 60 0 - 8.3-12.1 QD2 LEU 96 - HA ASP 47 far 0 60 0 - 8.5-9.7 QD1 ILE 37 - HA LYS 24 far 0 70 0 - 8.8-20.8 QD1 LEU 96 - HA ASN 59 far 0 71 0 - 9.2-10.9 Violated in 1 structures by 0.02 A. Peak 9363 from aliabs.peaks (0.77, 2.87, 38.13 ppm; 4.62 A): 2 out of 7 assignments used, quality = 0.96: QD1 LEU 103 + HB3 ASN 59 OK 93 98 95 100 2.4-6.3 11834=95, 11833/1.8=82...(19) QD2 LEU 119 + HB3 ASN 59 OK 40 89 60 75 4.0-9.2 9355/1.8=28...(11) QG1 VAL 63 - HB3 ASN 59 far 0 97 0 - 5.7-7.6 QD2 LEU 122 - HB3 ASN 59 far 0 93 0 - 6.0-11.1 QD1 LEU 53 - HB3 ASN 59 far 0 81 0 - 8.6-13.9 QD2 LEU 49 - HB3 ASN 59 far 0 71 0 - 9.0-11.7 QD1 LEU 96 - HB3 ASN 59 far 0 100 0 - 9.6-12.5 Violated in 5 structures by 0.09 A. Peak 9364 from aliabs.peaks (1.56, 2.87, 38.13 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 103 + HB3 ASN 59 OK 100 100 100 100 3.7-7.3 2.1/11834=99, ~11833=95...(21) HB2 LEU 103 + HB3 ASN 59 OK 55 85 65 100 4.8-8.3 3.2/11834=98, ~11833=86...(21) HB2 LEU 119 - HB3 ASN 59 far 9 95 10 - 7.3-10.8 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 = 0.95: HG LEU 103 + HB2 ASN 59 OK 90 100 90 100 2.1-7.5 2.1/11833=99...(21) HB2 LEU 103 + HB2 ASN 59 OK 49 76 65 100 4.9-9.0 3.2/11833=91...(21) HB2 LEU 119 - HB2 ASN 59 far 5 98 5 - 6.5-9.3 Violated in 2 structures by 0.10 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 2.3-4.6 9022/3.2=87, 2.2/9367=81...(28) HD2 HIS 67 - HA SER 60 far 0 87 0 - 8.1-11.6 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 3 assignments used, quality = 0.71: QE TYR 72 + HA ILE 37 OK 71 71 100 100 2.9-5.3 9021/3.2=76, 2.2/9366=70...(17) HE21 GLN 68 - HA ILE 37 far 0 67 0 - 8.4-13.1 HE21 GLN 68 - HA SER 60 far 0 98 0 - 9.9-12.6 Violated in 1 structures by 0.02 A. Peak 9377 from aliabs.peaks (0.94, 2.28, 33.67 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.90: QG1 VAL 57 + HG2 GLN 61 OK 90 100 90 100 1.9-4.8 10937/1.8=70...(29) QD2 LEU 53 - HG2 GLN 61 far 0 81 0 - 6.0-11.7 QD1 LEU 119 - HG2 GLN 61 far 0 99 0 - 8.2-10.8 QG1 VAL 126 - HG2 GLN 61 far 0 97 0 - 9.6-12.5 QG2 VAL 126 - HG2 GLN 61 far 0 89 0 - 9.9-12.0 Violated in 12 structures by 0.28 A. Peak 9378 from aliabs.peaks (0.87, 2.10, 28.56 ppm; 3.79 A): 3 out of 16 assignments used, quality = 0.94: QG2 VAL 57 + HB3 GLN 61 OK 88 89 100 100 3.2-4.2 10936/3.0=55...(31) QG1 VAL 118 + HB2 GLU 102 OK 29 45 65 100 2.8-5.8 11606/1.8=54, ~11545=46...(21) QG2 VAL 57 + HB2 GLN 61 OK 26 88 30 100 3.4-5.5 10936/3.0=55...(33) QD1 LEU 98 - HB2 GLU 102 poor 10 50 20 - 3.5-8.5 QD2 LEU 48 - HB3 GLN 61 far 0 81 0 - 4.8-7.9 QD2 LEU 98 - HB2 GLU 102 far 0 58 0 - 6.1-8.3 QD2 LEU 48 - HB2 GLN 61 far 0 80 0 - 6.2-8.0 QD2 LEU 70 - HB2 GLU 102 far 0 48 0 - 7.7-10.2 QG1 VAL 118 - HB2 GLN 61 far 0 84 0 - 8.0-11.8 QD1 LEU 22 - HB2 GLN 61 far 0 94 0 - 8.0-39.5 QD2 LEU 69 - HB3 GLN 61 far 0 99 0 - 8.3-11.9 QD2 LEU 123 - HB3 GLN 61 far 0 99 0 - 8.5-11.8 QG1 VAL 118 - HB3 GLN 61 far 0 85 0 - 8.7-10.5 QD2 LEU 69 - HB2 GLN 61 far 0 98 0 - 9.1-12.5 QD1 LEU 22 - HB3 GLN 61 far 0 95 0 - 9.2-39.8 QD2 LEU 123 - HB2 GLN 61 far 0 98 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 9379 from aliabs.peaks (0.88, 4.28, 57.75 ppm; 4.56 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 63 - HA GLN 61 poor 19 60 35 90 4.9-6.2 4.4/6819=47, 3.7/6803=38...(8) QG2 VAL 57 - HA GLN 61 far 0 73 0 - 5.5-6.4 QD2 LEU 48 - HA GLN 61 far 0 93 0 - 5.9-7.8 QD1 LEU 48 - HA GLN 61 far 0 63 0 - 5.9-8.7 QD1 LEU 22 - HA GLN 61 far 0 99 0 - 8.2-37.6 QD2 LEU 69 - HA GLN 61 far 0 92 0 - 8.3-11.3 QG1 VAL 118 - HA GLN 61 far 0 96 0 - 9.1-11.0 QD2 LEU 123 - HA GLN 61 far 0 100 0 - 9.7-13.2 Violated in 19 structures by 0.23 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 1.8-2.8 9397=100, 3.2/10974=63...(29) HB2 HIS 67 + QD2 LEU 100 OK 24 54 45 98 3.5-6.7 3.8/9461=44...(14) HA VAL 63 - QD2 LEU 62 far 0 100 0 - 5.5-5.9 HB2 HIS 67 - QD2 LEU 62 far 0 73 0 - 8.3-10.0 HB3 TYR 72 - QD2 LEU 100 far 0 50 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 9387 from aliabs.peaks (4.32, 0.68, 23.19 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.69: HA ASN 59 + QD2 LEU 62 OK 69 92 75 100 4.5-5.4 9388/2.1=77, 1880/3.1=64...(20) HA ASN 59 - QD2 LEU 100 far 0 71 0 - 5.3-7.2 HA LEU 69 - QD2 LEU 100 far 0 43 0 - 7.3-9.1 HA ASP 47 - QD2 LEU 62 far 0 87 0 - 7.9-10.1 HA LEU 69 - QD2 LEU 62 far 0 60 0 - 9.6-11.3 HA THR 25 - QD2 LEU 62 far 0 60 0 - 9.9-35.1 Violated in 20 structures by 0.76 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 1.9-3.6 1880/3.2=59, 9387/2.1=48...(19) HA ASP 47 - QD1 LEU 62 far 0 100 0 - 9.9-12.7 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 3 68 5 - 5.3-9.0 HG LEU 96 - QD1 LEU 62 far 0 90 0 - 9.0-12.3 Violated in 20 structures by 2.10 A. Peak 9395 from aliabs.peaks (0.77, 2.06, 42.10 ppm; 4.44 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HB2 LEU 62 OK 98 98 100 100 3.0-4.5 ~11823=65, ~11721=62...(18) QD2 LEU 119 + HB2 LEU 62 OK 80 89 90 100 2.7-7.2 10992/3.0=75...(31) QD2 LEU 122 - HB2 LEU 62 poor 17 93 40 45 4.0-7.4 2.1/11951=11...(10) QD1 LEU 53 - HB2 LEU 62 poor 16 81 20 - 4.3-9.6 QD2 LEU 49 - HB2 LEU 62 poor 14 71 20 - 4.3-7.4 QG1 VAL 63 - HB2 LEU 62 far 0 97 0 - 5.4-6.0 QD1 LEU 96 - HB2 LEU 62 far 0 100 0 - 7.0-9.1 QD2 LEU 96 - HB2 LEU 62 far 0 76 0 - 9.2-11.2 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 1.8-2.8 9386=100, 10974/3.2=54...(29) QD2 LEU 62 - HA VAL 63 far 0 100 0 - 5.5-5.9 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 7 assignments used, quality = 0.64: HB3 LEU 100 + HA VAL 63 OK 64 99 65 100 4.2-6.9 3.2/9386=91...(24) QB ALA 110 - HA VAL 63 far 0 100 0 - 7.7-14.5 QB ALA 108 - HA VAL 63 far 0 100 0 - 7.7-12.4 HG LEU 96 - HA VAL 63 far 0 90 0 - 7.9-10.5 QB ALA 29 - HA VAL 63 far 0 100 0 - 9.0-24.0 HB2 LEU 96 - HA VAL 63 far 0 100 0 - 9.2-10.7 QB ALA 109 - HA VAL 63 far 0 99 0 - 9.2-12.1 Violated in 15 structures by 0.64 A. Peak 9399 from aliabs.peaks (1.80, 3.36, 66.55 ppm; 5.07 A): 3 out of 5 assignments used, quality = 0.97: HB3 LEU 103 + HA VAL 63 OK 78 98 80 100 3.5-7.4 3.1/11832=83...(29) HB2 LEU 100 + HA VAL 63 OK 70 83 85 100 3.2-6.4 3.2/9386=91, 1.8/9398=81...(24) HG LEU 100 + HA VAL 63 OK 60 60 100 100 3.3-5.4 2.1/9386=100...(22) HB3 LEU 122 - HA VAL 63 far 0 96 0 - 6.6-7.8 HB2 LEU 48 - HA VAL 63 far 0 76 0 - 9.4-13.5 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 3.0-4.5 11522=82, 11521/2.1=75...(22) HG3 GLN 61 - QG1 VAL 63 far 0 63 0 - 7.4-9.1 HG3 GLU 97 - QG1 VAL 63 far 0 78 0 - 7.8-11.6 HB3 PRO 58 - QG1 VAL 63 far 0 57 0 - 9.1-9.7 Violated in 11 structures by 0.11 A. Peak 9401 from aliabs.peaks (2.46, 0.78, 21.57 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.96: HG3 GLN 104 + QG1 VAL 63 OK 96 96 100 100 2.0-4.1 1.8/9400=80, 11443=76...(20) HG2 MET 11 - QG1 VAL 63 far 0 89 0 - 5.5-39.7 Violated in 7 structures by 0.02 A. Peak 9406 from aliabs.peaks (7.14, 0.78, 21.57 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.36: HD2 HIS 67 + QG1 VAL 63 OK 36 87 50 84 2.8-5.5 11485/10974=28...(8) QD TYR 72 - QG1 VAL 63 far 0 99 0 - 9.6-11.0 Violated in 17 structures by 0.93 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 10 assignments used, quality = 1.00: QG1 VAL 63 + HA ASP 64 OK 100 100 100 100 2.9-3.9 10980=99, 6825/2.9=66...(22) QD2 LEU 49 - HA ASP 64 far 0 83 0 - 6.3-7.8 QD1 ILE 32 - HA ASP 64 far 0 98 0 - 6.6-20.3 QD1 LEU 103 - HA ASP 64 far 0 100 0 - 6.8-9.7 QD1 LEU 122 - HA ASP 64 far 0 60 0 - 7.1-9.9 QD2 LEU 122 - HA ASP 64 far 0 98 0 - 7.4-10.0 QD1 LEU 96 - HA ASP 64 far 0 100 0 - 7.6-9.1 QD2 LEU 96 - HA ASP 64 far 0 63 0 - 9.0-11.0 QD1 LEU 53 - HA ASP 64 far 0 90 0 - 9.1-13.8 QD2 LEU 119 - HA ASP 64 far 0 96 0 - 9.2-13.3 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 8 assignments used, quality = 0.83: QG2 VAL 63 + HA ASP 64 OK 83 83 100 100 5.2-5.4 2.1/10980=99...(19) QD2 LEU 69 - HA ASP 64 far 4 73 5 - 6.3-9.3 QD1 LEU 49 - HA ASP 64 far 0 78 0 - 6.9-10.0 QD1 LEU 48 - HA ASP 64 far 0 85 0 - 7.0-9.0 QD2 LEU 48 - HA ASP 64 far 0 100 0 - 7.7-9.5 QD1 LEU 62 - HA ASP 64 far 0 76 0 - 8.4-9.0 QG1 VAL 118 - HA ASP 64 far 0 100 0 - 9.2-10.6 QG2 VAL 20 - HA ASP 64 far 0 100 0 - 9.5-28.6 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 9 assignments used, quality = 0.89: QG1 VAL 63 + HB2 ASP 64 OK 89 89 100 100 4.2-5.8 10988/1.8=92...(17) QD2 LEU 49 - HB2 ASP 64 poor 10 100 30 33 6.0-8.5 9416/4.6=14, 9419/9429=9...(4) QD1 LEU 103 - HB2 ASP 64 far 0 87 0 - 7.7-10.1 QD1 LEU 53 - HB2 ASP 64 far 0 99 0 - 7.8-13.0 QD1 LEU 122 - HB2 ASP 64 far 0 99 0 - 7.9-10.2 QD2 LEU 122 - HB2 ASP 64 far 0 95 0 - 8.5-10.7 QD1 LEU 70 - HB2 ASP 64 far 0 95 0 - 8.5-12.1 QD1 LEU 96 - HB2 ASP 64 far 0 68 0 - 8.8-10.6 QD2 LEU 119 - HB2 ASP 64 far 0 97 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 9414 from aliabs.peaks (0.90, 2.75, 40.01 ppm; 5.72 A): 1 out of 8 assignments used, quality = 0.96: QG2 VAL 63 + HB2 ASP 64 OK 96 96 100 100 5.7-6.2 6826/2048=89...(17) QD1 LEU 49 - HB2 ASP 64 far 9 93 10 - 6.5-9.8 QD1 LEU 48 - HB2 ASP 64 lone 4 97 55 8 5.0-7.6 9418/9429=7 QD2 LEU 48 - HB2 ASP 64 lone 2 100 35 6 6.0-8.6 9418/9429=5 QD1 LEU 62 - HB2 ASP 64 far 0 92 0 - 7.6-9.4 QD1 LEU 22 - HB2 ASP 64 far 0 97 0 - 9.7-34.9 QD2 LEU 123 - HB2 ASP 64 far 0 90 0 - 10.0-14.1 QG1 VAL 118 - HB2 ASP 64 far 0 100 0 - 10.0-11.1 Violated in 19 structures by 0.27 A. Peak 9418 from aliabs.peaks (0.91, 3.97, 66.33 ppm; 4.33 A): 3 out of 8 assignments used, quality = 0.99: QD1 LEU 48 + HA THR 65 OK 95 100 95 100 3.8-5.4 11848/2074=39, ~9441=39...(27) QD1 LEU 49 + HA THR 65 OK 70 99 70 100 3.9-7.1 10966/3.2=71, ~9431=43...(26) QD2 LEU 48 + HA THR 65 OK 39 97 40 100 4.1-6.6 10957/2074=47, ~9441=39...(27) QG2 VAL 63 - HA THR 65 far 0 100 0 - 7.3-7.6 QD2 LEU 123 - HA THR 65 far 0 73 0 - 8.0-12.1 QD1 LEU 62 - HA THR 65 far 0 99 0 - 8.1-8.7 QG2 ILE 37 - HA THR 65 far 0 63 0 - 9.4-11.0 QG1 VAL 118 - HA THR 65 far 0 95 0 - 9.4-11.0 Violated in 1 structures by 0.02 A. Peak 9419 from aliabs.peaks (0.80, 3.97, 66.33 ppm; 5.51 A): 2 out of 12 assignments used, quality = 1.00: QD2 LEU 49 + HA THR 65 OK 100 100 100 100 3.6-5.3 9431/2074=89, ~10966=67...(29) QG1 VAL 63 + HA THR 65 OK 46 93 50 99 6.2-7.2 ~9415=66, 10980/4.9=60...(13) QD2 LEU 122 - HA THR 65 far 5 97 5 - 6.3-9.3 QD1 ILE 32 - HA THR 65 far 3 63 5 - 6.4-20.2 QD1 LEU 122 - HA THR 65 far 0 97 0 - 6.5-9.1 QD1 LEU 96 - HA THR 65 far 0 76 0 - 6.8-8.1 QD1 LEU 53 - HA THR 65 far 0 100 0 - 7.0-11.2 QD1 LEU 70 - HA THR 65 far 0 90 0 - 7.6-10.3 QD1 LEU 103 - HA THR 65 far 0 92 0 - 8.2-10.6 QD2 LEU 119 - HA THR 65 far 0 99 0 - 9.1-12.7 QD1 ILE 37 - HA THR 65 far 0 63 0 - 9.6-12.1 QG2 ILE 129 - HA THR 65 far 0 63 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9421 from aliabs.peaks (0.90, 4.06, 67.71 ppm; 3.84 A): 3 out of 8 assignments used, quality = 0.92: QD1 LEU 49 + HB THR 65 OK 68 97 70 100 2.3-5.7 10966/2.1=72, ~9431=47...(23) QD2 LEU 48 + HB THR 65 OK 54 99 55 100 3.6-5.6 10957/2.1=52, ~9441=41...(27) QD1 LEU 48 + HB THR 65 OK 45 99 45 100 3.2-5.9 ~9441=41, 11848/2.1=41...(26) QD1 LEU 62 - HB THR 65 far 0 97 0 - 5.6-6.6 QD2 LEU 123 - HB THR 65 far 0 83 0 - 6.0-10.0 QG2 VAL 63 - HB THR 65 far 0 99 0 - 6.1-6.7 QG1 VAL 118 - HB THR 65 far 0 98 0 - 7.6-9.3 QD1 LEU 123 - HB THR 65 far 0 76 0 - 8.2-10.3 Violated in 7 structures by 0.07 A. Peak 9422 from aliabs.peaks (0.79, 4.06, 67.71 ppm; 4.62 A): 2 out of 10 assignments used, quality = 1.00: QD2 LEU 49 + HB THR 65 OK 100 100 100 100 1.9-3.9 9431/2.1=90, ~10966=63...(28) QD1 LEU 122 + HB THR 65 OK 33 96 45 76 4.6-7.2 11110/2.1=64...(8) QD1 LEU 53 - HB THR 65 lone 6 100 35 16 4.7-9.0 1552/9424=6, 1585/9421=4...(4) QD2 LEU 122 - HB THR 65 far 5 99 5 - 5.1-7.8 QG1 VAL 63 - HB THR 65 far 0 96 0 - 6.0-6.8 QD1 LEU 96 - HB THR 65 far 0 81 0 - 6.0-7.5 QD2 LEU 119 - HB THR 65 far 0 100 0 - 6.7-10.3 QD1 LEU 103 - HB THR 65 far 0 95 0 - 7.0-8.8 QD1 LEU 70 - HB THR 65 far 0 87 0 - 8.1-10.8 QD1 ILE 32 - HB THR 65 far 0 68 0 - 8.9-22.5 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 99 99 100 100 3.4-5.0 9432/2.1=93...(9) QD2 LEU 100 + HB THR 65 OK 82 100 95 86 4.5-6.1 9384/6853=51...(9) 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 = 1.00: QB ALA 52 + HB THR 65 OK 96 100 100 96 3.9-5.2 9440/2.1=48...(8) HB2 LEU 49 + HB THR 65 OK 89 89 100 100 2.2-6.3 ~10960=87, ~9431=85...(34) Violated in 0 structures by 0.00 A. Peak 9426 from aliabs.peaks (2.20, 4.06, 67.71 ppm; 6.60 A): 3 out of 5 assignments used, quality = 0.98: HG2 GLN 68 + HB THR 65 OK 87 92 95 100 4.5-7.8 ~11016=92, 9479/2.1=87...(26) HB2 GLN 68 + HB THR 65 OK 69 87 80 100 4.9-8.2 10050/2.1=88, ~2140=80...(19) HB3 GLN 68 + HB THR 65 OK 58 83 70 100 5.6-7.9 ~11016=79, ~9479=75...(18) HB3 GLN 104 - HB THR 65 far 0 76 0 - 9.0-12.3 HB2 GLN 104 - HB THR 65 far 0 96 0 - 9.9-13.0 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 = 0.90: HB3 ASP 64 + HA THR 65 OK 69 71 100 97 4.8-5.7 6840/2.9=69, ~2052=51...(8) HB2 ASP 64 + HA THR 65 OK 66 68 100 98 3.8-5.6 ~6840=80, ~2058=79...(5) HB3 ASP 71 - HA THR 65 far 0 57 0 - 7.9-10.4 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 10 assignments used, quality = 1.00: QD1 LEU 48 + QG2 THR 65 OK 92 100 100 92 1.8-3.2 2.1/9441=33...(16) QD2 LEU 48 + QG2 THR 65 OK 87 97 95 94 1.8-4.2 10957=45, 2.1/9441=33...(18) QD1 LEU 49 + QG2 THR 65 OK 71 99 75 96 1.8-4.0 2.1/9431=44, 10966=37...(26) QD2 LEU 123 - QG2 THR 65 far 0 76 0 - 4.6-8.4 QD1 LEU 62 - QG2 THR 65 far 0 99 0 - 5.8-7.0 QD1 LEU 123 - QG2 THR 65 far 0 83 0 - 6.6-8.7 QG2 VAL 63 - QG2 THR 65 far 0 100 0 - 6.8-7.2 QG1 VAL 118 - QG2 THR 65 far 0 96 0 - 7.5-9.1 QG2 ILE 37 - QG2 THR 65 far 0 60 0 - 8.2-10.0 QD1 LEU 22 - QG2 THR 65 far 0 87 0 - 9.1-27.7 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 10 assignments used, quality = 0.88: QD2 LEU 49 + QG2 THR 65 OK 88 89 100 99 1.9-3.3 2.1/11025=57...(29) QD1 LEU 122 - QG2 THR 65 far 3 68 5 - 4.3-6.9 QD1 LEU 53 - QG2 THR 65 far 0 95 0 - 4.4-7.4 QD2 LEU 122 - QG2 THR 65 far 0 99 0 - 4.9-7.7 QD1 LEU 96 - QG2 THR 65 far 0 99 0 - 4.9-6.6 QG1 VAL 63 - QG2 THR 65 far 0 100 0 - 6.5-7.2 QD1 ILE 32 - QG2 THR 65 far 0 96 0 - 6.7-18.2 QD2 LEU 119 - QG2 THR 65 far 0 98 0 - 6.8-9.4 QD1 LEU 103 - QG2 THR 65 far 0 100 0 - 7.3-8.8 QD1 ILE 37 - QG2 THR 65 far 0 96 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 9432 from aliabs.peaks (0.69, 1.23, 22.77 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.88: QD2 LEU 62 + QG2 THR 65 OK 88 97 95 96 3.7-5.4 1998/10993=57...(14) QD2 LEU 100 - QG2 THR 65 far 5 98 5 - 5.2-6.6 QD1 LEU 43 - QG2 THR 65 far 0 97 0 - 9.2-10.5 Violated in 12 structures by 0.22 A. Peak 9440 from aliabs.peaks (1.48, 1.23, 22.77 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.95: HB2 LEU 49 + QG2 THR 65 OK 80 81 100 99 1.9-4.3 3.2/9431=54...(24) QB ALA 52 + QG2 THR 65 OK 74 100 85 87 3.0-4.6 10996/9432=39...(16) HG LEU 42 - QG2 THR 65 far 0 97 0 - 7.2-9.0 HG3 LYS 36 - QG2 THR 65 far 0 89 0 - 9.4-13.8 Violated in 4 structures by 0.02 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 3.2-4.8 3.0/10991=61, 11370=58...(15) HB3 LEU 70 - QG2 THR 65 far 0 87 0 - 6.7-9.7 HB2 LEU 70 - QG2 THR 65 far 0 98 0 - 7.9-9.9 HB2 LEU 43 - QG2 THR 65 far 0 99 0 - 9.0-10.5 Violated in 12 structures by 0.20 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 1.8-4.3 3.2/9431=63...(22) HB3 LEU 48 + QG2 THR 65 OK 72 76 95 100 1.9-4.9 1.8/10991=69...(23) HG LEU 53 - QG2 THR 65 far 0 85 0 - 4.8-9.2 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 6 assignments used, quality = 0.85: HG2 GLN 68 + QG2 THR 65 OK 80 85 95 99 3.0-5.5 1.8/11016=57, 9479=36...(26) HB2 GLN 68 + QG2 THR 65 OK 27 78 35 99 3.4-6.1 3.0/11016=47...(21) HB3 GLN 68 - QG2 THR 65 far 9 90 10 - 4.1-5.9 HB3 GLN 127 - QG2 THR 65 far 0 68 0 - 8.5-10.7 HB3 GLN 104 - QG2 THR 65 far 0 65 0 - 9.4-12.1 HB3 GLU 97 - QG2 THR 65 far 0 76 0 - 9.6-12.6 Violated in 2 structures by 0.03 A. Peak 9445 from aliabs.peaks (8.29, 1.23, 22.77 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.99: H LEU 49 + QG2 THR 65 OK 99 99 100 100 2.0-3.5 11703=81, 6598/10991=42...(24) H LEU 69 + QG2 THR 65 OK 59 99 60 98 3.7-5.4 3.7/9443=58...(15) H TYR 72 - QG2 THR 65 far 0 60 0 - 7.4-9.3 H VAL 126 - QG2 THR 65 far 0 95 0 - 7.4-9.1 H LEU 123 - QG2 THR 65 far 0 71 0 - 7.4-9.5 H LEU 43 - QG2 THR 65 far 0 100 0 - 8.5-9.9 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 3.9-5.0 9199=91, 3.9/10991=71...(16) H SER 130 - QG2 THR 65 far 0 68 0 - 8.7-10.5 H CYS 125 - QG2 THR 65 far 0 83 0 - 9.0-10.9 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 97 100 100 97 2.1-4.5 9208=46, 9208/1.8=35...(21) QD2 LEU 49 + HA2 GLY 66 OK 95 98 100 97 1.8-3.5 9208=46, 9208/1.8=35...(23) QD1 LEU 96 + HA3 GLY 66 OK 36 60 100 60 3.0-4.4 ~9991=23, 2.1/9991=12...(12) QD1 LEU 96 + HA2 GLY 66 OK 35 57 100 62 2.8-4.2 2.1/9991=24, 11808=12...(11) QD1 LEU 122 + HA3 GLY 66 OK 32 100 90 36 2.3-5.3 9487/10035=12...(9) QG1 VAL 63 + HA3 GLY 66 OK 22 83 30 87 4.1-5.6 10974/10024=23...(17) QD1 LEU 122 - HA2 GLY 66 poor 20 98 70 28 2.8-5.8 9487/10035=11...(5) QD2 LEU 122 - HA3 GLY 66 poor 19 90 75 28 2.3-5.4 11387/10024=10...(7) QD2 LEU 122 - HA2 GLY 66 lone 9 87 55 19 2.7-6.6 11387/10024=8, ~9434=5...(4) QD1 LEU 53 - HA2 GLY 66 far 0 96 0 - 4.6-10.0 QD1 LEU 70 - HA3 GLY 66 far 0 97 0 - 4.7-7.5 QD1 LEU 103 - HA3 GLY 66 far 0 81 0 - 4.8-7.6 QD1 LEU 70 - HA2 GLY 66 far 0 95 0 - 5.0-7.5 QD1 LEU 53 - HA3 GLY 66 far 0 98 0 - 5.1-10.1 QG1 VAL 63 - HA2 GLY 66 far 0 80 0 - 5.5-6.8 QD1 LEU 103 - HA2 GLY 66 far 0 78 0 - 6.3-8.9 QD2 LEU 119 - HA3 GLY 66 far 0 95 0 - 6.8-9.9 QG2 ILE 129 - HA2 GLY 66 far 0 75 0 - 7.5-8.8 QD2 LEU 119 - HA2 GLY 66 far 0 92 0 - 7.7-10.6 QG2 ILE 129 - HA3 GLY 66 far 0 78 0 - 8.4-10.1 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 1.9-3.4 10024=54, 9461/3.6=47...(24) QD2 LEU 100 + HA2 GLY 66 OK 95 96 100 99 3.2-4.9 10024/1.8=50...(20) QD2 LEU 62 - HA3 GLY 66 far 5 99 5 - 4.9-6.3 QD2 LEU 62 - HA2 GLY 66 far 0 97 0 - 5.1-6.5 QD1 ILE 129 - HA2 GLY 66 far 0 82 0 - 6.6-8.7 QD1 ILE 129 - HA3 GLY 66 far 0 85 0 - 7.3-9.4 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 101 - HD2 HIS 67 far 8 76 10 - 6.2-11.9 QE TYR 72 - HD2 HIS 67 far 0 95 0 - 8.6-11.4 HE21 GLN 68 - HD2 HIS 67 far 0 100 0 - 8.7-10.3 Violated in 18 structures by 0.97 A. Peak 9453 from aliabs.peaks (2.21, 3.34, 27.59 ppm; 6.38 A): 4 out of 7 assignments used, quality = 1.00: HG2 GLN 68 + HB2 HIS 67 OK 98 98 100 100 4.0-6.7 2150/4.4=87...(12) HB2 GLN 68 + HB2 HIS 67 OK 93 96 100 97 4.1-6.9 3.7/6882=56, ~11036=46...(11) HB3 GLN 68 + HB2 HIS 67 OK 63 68 100 93 4.3-6.8 3.7/6882=56, ~11036=46...(9) HB3 GLN 104 + HB2 HIS 67 OK 30 89 65 53 5.3-9.9 11436/9465=36...(5) HB2 GLN 104 - HB2 HIS 67 poor 12 87 30 45 5.9-10.3 11435/9465=34, ~9457=7...(4) HB3 GLU 97 - HB2 HIS 67 far 5 95 5 - 7.3-10.8 HB2 GLN 101 - HB2 HIS 67 far 0 100 0 - 8.1-11.9 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 2 assignments used, quality = 1.00: HB2 ASP 64 + HB3 HIS 67 OK 100 100 100 100 5.3-7.0 3.0/2046=100, ~2102=88...(7) HB2 CYS 73 - HB3 HIS 67 far 0 95 0 - 9.7-13.0 Violated in 6 structures by 0.02 A. Peak 9457 from aliabs.peaks (2.21, 3.41, 27.59 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: HG2 GLN 68 + HB3 HIS 67 OK 98 98 100 100 3.7-7.5 2150/6883=93...(11) HB2 GLN 68 + HB3 HIS 67 OK 95 96 100 100 4.3-7.1 3.7/6883=97, ~11036=51...(8) HB3 GLN 68 + HB3 HIS 67 OK 68 68 100 100 4.3-7.1 3.7/6883=97, ~11036=51...(6) HB3 GLN 104 + HB3 HIS 67 OK 36 89 85 48 4.1-8.4 11436/9468=39...(3) HB2 GLN 104 + HB3 HIS 67 OK 28 87 70 46 5.3-9.2 11435/9468=37, ~9453=8 HB2 GLN 101 - HB3 HIS 67 far 10 100 10 - 7.4-11.1 HB3 GLU 97 - HB3 HIS 67 far 5 95 5 - 6.7-10.2 Violated in 0 structures by 0.00 A. Peak 9462 from aliabs.peaks (0.82, 4.21, 58.74 ppm; 3.71 A): 1 out of 11 assignments used, quality = 0.48: QD1 LEU 70 + HA HIS 67 OK 48 97 50 100 1.9-5.2 2.1/11089=67, 11102=65...(18) QD1 LEU 122 - HA HIS 67 far 0 90 0 - 5.0-8.6 QD2 LEU 49 - HA HIS 67 far 0 71 0 - 5.7-7.4 QG2 ILE 129 - HA GLU 128 far 0 46 0 - 6.1-6.1 QG1 VAL 133 - HA GLU 128 far 0 36 0 - 6.5-9.1 QG2 ILE 32 - HA HIS 67 far 0 89 0 - 8.2-17.0 QD2 LEU 49 - HA GLU 128 far 0 26 0 - 8.4-11.0 QD1 LEU 53 - HA HIS 67 far 0 60 0 - 8.6-13.7 QG2 ILE 129 - HA HIS 67 far 0 100 0 - 8.6-10.3 QD1 LEU 53 - HA GLU 128 far 0 22 0 - 8.6-10.9 QD1 LEU 122 - HA GLU 128 far 0 37 0 - 9.1-12.0 Violated in 11 structures by 0.68 A. Peak 9463 from aliabs.peaks (0.60, 4.21, 58.74 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 100 + HA HIS 67 OK 100 100 100 100 1.9-4.3 10037=100...(18) 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 4 assignments used, quality = 0.00: HB2 LEU 69 - HB2 HIS 67 poor 17 68 35 71 6.7-8.7 9458/3.8=37...(9) HD2 LYS 24 - HB2 HIS 67 far 0 92 0 - 7.2-35.2 HD3 LYS 24 - HB2 HIS 67 far 0 76 0 - 7.9-34.9 HD2 LYS 26 - HB2 HIS 67 far 0 89 0 - 10.0-33.2 Violated in 20 structures by 1.31 A. Peak 9465 from aliabs.peaks (0.79, 3.34, 27.59 ppm; 4.92 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 63 + HB2 HIS 67 OK 98 99 100 99 2.6-4.6 9406/4.0=74...(15) QD1 LEU 70 + HB2 HIS 67 OK 35 78 45 100 3.8-7.3 ~11089=56, 9462/3.0=54...(22) QD1 LEU 103 - HB2 HIS 67 far 5 98 5 - 5.7-10.2 QD1 ILE 32 - HB2 HIS 67 far 4 78 5 - 5.3-19.1 QD1 LEU 96 - HB2 HIS 67 far 0 89 0 - 6.0-7.8 QD2 LEU 49 - HB2 HIS 67 far 0 99 0 - 6.2-8.1 QD2 LEU 122 - HB2 HIS 67 far 0 100 0 - 6.5-9.7 QD1 LEU 122 - HB2 HIS 67 far 0 90 0 - 6.7-9.9 QD1 ILE 37 - HB2 HIS 67 far 0 78 0 - 8.9-12.0 QD1 LEU 53 - HB2 HIS 67 far 0 100 0 - 9.5-14.5 QD2 LEU 119 - HB2 HIS 67 far 0 100 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 9466 from aliabs.peaks (0.63, 3.34, 27.59 ppm; 6.80 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 42 - HB2 HIS 67 far 0 100 0 - 9.0-10.7 QD1 ILE 129 - HB2 HIS 67 far 0 90 0 - 9.9-12.2 Violated in 20 structures by 2.40 A. Peak 9467 from aliabs.peaks (1.69, 3.41, 27.59 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.91: HB2 LEU 70 + HB3 HIS 67 OK 82 97 85 100 5.0-7.9 ~9462=65, ~11089=64...(29) HB3 LEU 70 + HB3 HIS 67 OK 50 83 60 100 4.7-8.5 ~9462=65, ~11089=64...(31) Violated in 4 structures by 0.15 A. Peak 9468 from aliabs.peaks (0.79, 3.41, 27.59 ppm; 4.84 A): 2 out of 11 assignments used, quality = 0.98: QG1 VAL 63 + HB3 HIS 67 OK 97 99 100 98 2.5-4.7 9406/4.0=72...(10) QD1 LEU 70 + HB3 HIS 67 OK 35 78 45 100 2.9-7.3 ~11089=54, 9462/3.0=53...(20) QD2 LEU 122 - HB3 HIS 67 far 5 100 5 - 5.6-9.4 QD1 LEU 103 - HB3 HIS 67 far 5 98 5 - 5.4-10.6 QD1 LEU 122 - HB3 HIS 67 far 5 90 5 - 5.4-8.9 QD1 LEU 96 - HB3 HIS 67 far 0 89 0 - 5.8-7.6 QD2 LEU 49 - HB3 HIS 67 far 0 99 0 - 6.2-7.9 QD1 ILE 32 - HB3 HIS 67 far 0 78 0 - 6.8-19.7 QD2 LEU 119 - HB3 HIS 67 far 0 100 0 - 8.9-14.3 QD1 LEU 53 - HB3 HIS 67 far 0 100 0 - 9.0-14.6 QD1 ILE 37 - HB3 HIS 67 far 0 78 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9470 from aliabs.peaks (0.80, 7.16, 118.77 ppm; 5.01 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 70 + HD2 HIS 67 OK 93 93 100 100 1.9-5.9 2.1/11081=90, 11080=90...(12) QG1 VAL 63 + HD2 HIS 67 OK 90 90 100 100 2.8-5.5 9406=83, 2.1/10982=80...(9) QD1 LEU 96 - HD2 HIS 67 poor 13 71 50 38 4.4-7.2 11388/10044=23...(6) QD2 LEU 122 - HD2 HIS 67 far 10 96 10 - 5.5-8.7 QD1 LEU 103 - HD2 HIS 67 far 4 89 5 - 5.5-9.5 QD1 LEU 122 - HD2 HIS 67 far 0 99 0 - 6.0-9.8 QD2 LEU 49 - HD2 HIS 67 far 0 100 0 - 6.1-9.2 QD1 LEU 53 - HD2 HIS 67 far 0 100 0 - 9.4-14.9 QG2 ILE 129 - HD2 HIS 67 far 0 68 0 - 9.5-11.8 QD2 LEU 119 - HD2 HIS 67 far 0 98 0 - 9.7-13.3 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 10 assignments used, quality = 0.91: QD2 LEU 49 + HG2 GLN 68 OK 89 99 95 95 3.4-7.1 9431/9479=72...(10) QD1 LEU 96 + HG2 GLN 68 OK 20 90 50 44 5.3-8.8 11056/2158=31...(5) QD1 LEU 70 - HG2 GLN 68 poor 19 76 25 - 6.3-8.5 QG1 VAL 63 - HG2 GLN 68 poor 18 99 30 62 6.0-8.5 9474/2150=18...(9) QD1 ILE 32 - HG2 GLN 68 far 12 81 15 - 5.5-18.4 QD2 LEU 122 - HG2 GLN 68 far 5 100 5 - 5.8-11.6 QD1 LEU 122 - HG2 GLN 68 far 0 89 0 - 6.9-9.4 QD1 LEU 53 - HG2 GLN 68 far 0 100 0 - 7.2-12.3 QD1 ILE 37 - HG2 GLN 68 far 0 81 0 - 7.3-9.8 QD1 LEU 103 - HG2 GLN 68 far 0 99 0 - 9.4-11.9 Violated in 1 structures by 0.06 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 3.0-5.5 11016/1.8=87, 9443=56...(27) Violated in 1 structures by 0.03 A. Peak 9480 from aliabs.peaks (3.37, 2.21, 33.81 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.94: HB2 HIS 67 + HG2 GLN 68 OK 76 76 100 100 4.0-6.7 4.4/2150=94...(14) HB3 TYR 72 + HG2 GLN 68 OK 67 71 95 100 5.5-7.7 2.7/9481=99...(9) HA VAL 63 + HG2 GLN 68 OK 28 100 60 46 6.5-9.9 6860/9452=26...(5) Violated in 0 structures by 0.00 A. Peak 9481 from aliabs.peaks (7.14, 2.21, 33.81 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.65: QD TYR 72 + HG2 GLN 68 OK 65 100 65 100 4.1-6.2 2.2/11830=85...(21) HD2 HIS 67 - HG2 GLN 68 far 0 78 0 - 6.7-8.7 Violated in 14 structures by 0.59 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 2.7-5.0 9481/1.8=80, ~11830=65...(19) HD2 HIS 67 - HG3 GLN 68 far 0 92 0 - 7.5-10.0 Violated in 1 structures by 0.01 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 2.9-4.5 9485/2269=72...(19) QD1 ILE 80 - HA LEU 70 far 0 68 0 - 8.2-9.6 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 = 0.93: QG2 VAL 93 + QD2 LEU 70 OK 93 98 95 100 3.7-4.9 2.1/11322=56...(24) QD1 ILE 80 - QD2 LEU 70 far 0 93 0 - 8.6-9.9 Violated in 16 structures by 0.25 A. Peak 9486 from aliabs.peaks (2.41, 0.86, 25.01 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.94: HG3 GLU 97 + QD2 LEU 70 OK 94 99 95 100 1.8-4.4 9489/2.1=60...(27) HG2 GLN 101 - QD2 LEU 70 far 0 83 0 - 4.9-7.5 HG2 GLN 104 - QD2 LEU 70 far 0 65 0 - 6.2-9.2 HG3 GLU 128 - QD2 LEU 70 far 0 92 0 - 8.2-11.4 Violated in 10 structures by 0.19 A. Peak 9487 from aliabs.peaks (0.61, 0.81, 25.48 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.84: QD1 LEU 100 + QD1 LEU 122 OK 63 88 75 95 2.4-5.2 2.1/3895=22...(38) QD1 LEU 100 + QD1 LEU 70 OK 57 96 60 99 1.9-4.7 11107/2.1=62...(27) QD1 LEU 42 - QD1 LEU 70 far 0 76 0 - 5.4-7.9 QD1 LEU 42 - QD1 LEU 122 far 0 67 0 - 7.8-10.7 Violated in 6 structures by 0.08 A. Peak 9488 from aliabs.peaks (1.39, 0.81, 25.48 ppm; 3.76 A): 4 out of 22 assignments used, quality = 0.98: HG LEU 96 + QD1 LEU 70 OK 92 99 95 98 3.5-4.8 11106/2.1=48...(25) HB3 LEU 100 + QD1 LEU 70 OK 39 90 45 97 3.2-5.8 3.2/9487=36...(23) HB2 LEU 96 + QD1 LEU 122 OK 38 91 45 92 2.8-6.2 3067/3.8=16, 3072/2.1=13...(52) HB3 LEU 100 + QD1 LEU 122 OK 36 82 45 99 3.2-6.5 3.2/9487=32, 3.0/3895=22...(47) HG LEU 96 - QD1 LEU 122 far 9 92 10 - 3.6-6.8 HB2 LEU 96 - QD1 LEU 70 far 0 98 0 - 5.9-7.3 QB ALA 16 - QD1 LEU 70 far 0 100 0 - 6.3-26.5 HG2 LYS 95 - QD1 LEU 70 far 0 100 0 - 7.6-11.0 QB ALA 108 - QD1 LEU 122 far 0 90 0 - 7.7-12.1 QB ALA 109 - QD1 LEU 122 far 0 95 0 - 7.9-11.4 QB ALA 15 - QD1 LEU 70 far 0 99 0 - 8.0-28.5 QB ALA 29 - QD1 LEU 70 far 0 97 0 - 8.3-18.7 HG3 LYS 95 - QD1 LEU 70 far 0 100 0 - 8.3-10.4 QB ALA 110 - QD1 LEU 122 far 0 92 0 - 8.4-14.1 HG3 LYS 95 - QD1 LEU 122 far 0 94 0 - 8.6-10.6 HG2 LYS 95 - QD1 LEU 122 far 0 95 0 - 8.8-11.0 QB ALA 34 - QD1 LEU 70 far 0 71 0 - 8.9-13.2 HG2 LYS 19 - QD1 LEU 70 far 0 85 0 - 9.2-27.8 QB ALA 108 - QD1 LEU 70 far 0 97 0 - 9.5-15.8 HB2 LEU 42 - QD1 LEU 70 far 0 90 0 - 9.6-12.0 HG2 LYS 36 - QD1 LEU 70 far 0 98 0 - 10.0-14.4 QB ALA 29 - QD1 LEU 122 far 0 89 0 - 10.0-21.7 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 1.9-4.6 2.9/11111=67...(24) HG2 GLN 101 - QD1 LEU 70 poor 16 100 30 54 4.3-8.9 4.7/11097=27...(8) HG2 GLN 101 - QD1 LEU 122 far 0 95 0 - 5.7-10.0 HG3 GLU 97 - QD1 LEU 122 far 0 65 0 - 6.8-9.0 HG3 GLN 61 - QD1 LEU 122 far 0 78 0 - 7.1-10.0 HG2 GLU 55 - QD1 LEU 122 far 0 65 0 - 8.4-13.0 HG3 GLU 128 - QD1 LEU 122 far 0 94 0 - 9.1-12.5 HG3 GLU 128 - QD1 LEU 70 far 0 100 0 - 9.2-13.7 HG2 MET 11 - QD1 LEU 70 far 0 83 0 - 9.9-41.2 Violated in 5 structures by 0.06 A. Peak 9490 from aliabs.peaks (2.73, 0.81, 25.48 ppm; 4.88 A): 2 out of 7 assignments used, quality = 0.73: HB2 CYS 73 + QD1 LEU 70 OK 54 99 55 99 4.3-7.8 ~11093=65, 2232/2261=64...(13) HB2 CYS 125 + QD1 LEU 122 OK 43 95 45 100 4.8-6.9 1.8/9498=74...(16) HB2 CYS 125 - QD1 LEU 70 far 0 100 0 - 7.0-8.6 HB2 CYS 73 - QD1 LEU 122 far 0 92 0 - 7.8-12.2 HB2 ASP 64 - QD1 LEU 122 far 0 74 0 - 7.9-10.2 HB2 ASP 64 - QD1 LEU 70 far 0 83 0 - 8.5-12.1 HB2 ASP 47 - QD1 LEU 122 far 0 83 0 - 9.7-12.7 Violated in 9 structures by 0.27 A. Peak 9495 from aliabs.peaks (3.28, 0.86, 25.01 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.69: HA VAL 93 + QD2 LEU 70 OK 69 73 95 99 3.8-5.2 3.2/9485=65...(21) Violated in 8 structures by 0.13 A. Peak 9496 from aliabs.peaks (2.24, 0.86, 25.01 ppm; 3.22 A): 3 out of 11 assignments used, quality = 0.99: HB3 GLU 97 + QD2 LEU 70 OK 89 89 100 100 1.9-4.0 1.8/11109=53...(36) HG2 GLU 97 + QD2 LEU 70 OK 84 99 85 100 1.9-4.3 1.8/9486=64...(32) HB3 LEU 96 + QD2 LEU 70 OK 38 99 40 94 4.0-5.1 1.8/11916=39...(21) HG2 GLN 68 - QD2 LEU 70 far 0 81 0 - 5.2-8.4 HB2 GLN 68 - QD2 LEU 70 far 0 87 0 - 6.1-8.0 HB3 GLN 104 - QD2 LEU 70 far 0 95 0 - 7.1-10.3 HB3 GLU 102 - QD2 LEU 70 far 0 99 0 - 8.9-11.0 HB3 GLU 128 - QD2 LEU 70 far 0 100 0 - 9.1-11.7 HG2 GLU 91 - QD2 LEU 70 far 0 68 0 - 9.6-11.0 HB3 GLN 127 - QD2 LEU 70 far 0 93 0 - 9.6-11.4 HB VAL 105 - QD2 LEU 70 far 0 60 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 9497 from aliabs.peaks (3.33, 0.81, 25.48 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.69: HB3 CYS 73 + QD1 LEU 70 OK 49 89 55 100 2.9-7.4 1.8/9490=81...(15) HB2 HIS 67 + QD1 LEU 70 OK 41 90 45 100 3.8-7.3 3.0/9462=75...(22) HB3 TYR 72 - QD1 LEU 70 far 0 93 0 - 5.9-7.8 HB2 HIS 67 - QD1 LEU 122 far 0 82 0 - 6.7-9.9 HB3 CYS 73 - QD1 LEU 122 far 0 80 0 - 7.1-12.1 HB3 PHE 89 - QD1 LEU 70 far 0 96 0 - 8.1-12.7 HB3 TYR 72 - QD1 LEU 122 far 0 85 0 - 8.3-12.3 HB2 PHE 89 - QD1 LEU 70 far 0 98 0 - 8.7-12.5 Violated in 3 structures by 0.03 A. Peak 9498 from aliabs.peaks (3.22, 0.81, 25.48 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.63: HB3 CYS 125 + QD1 LEU 122 OK 63 74 85 100 4.0-6.4 ~11828=62, 11656/3.1=59...(19) HB3 CYS 125 - QD1 LEU 70 far 0 83 0 - 7.7-9.4 HB3 HIS 8 - QD1 LEU 70 far 0 99 0 - 9.2-44.6 Violated in 10 structures by 0.33 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 3.5-5.2 2.9/11028=79...(33) H TYR 72 + QD TYR 72 OK 71 71 100 100 2.6-3.4 4.5=100 H LEU 43 - QD TYR 72 poor 20 98 20 - 5.8-7.0 H GLU 40 - QD TYR 72 far 0 98 0 - 7.4-9.3 H LEU 49 - QD TYR 72 far 0 100 0 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 9509 from aliabs.peaks (1.68, 4.42, 57.33 ppm; 4.84 A): 1 out of 8 assignments used, quality = 0.65: HB2 LEU 70 + HA ASP 71 OK 65 65 100 100 3.8-4.1 3.2/11115=69...(23) HD2 LYS 19 - HA ASP 71 far 0 60 0 - 5.8-30.6 HB2 LEU 69 - HA ASP 71 far 0 60 0 - 7.3-8.3 HD3 LYS 24 - HA ASP 71 far 0 68 0 - 8.2-31.0 HD3 LYS 36 - HA ASP 71 far 0 87 0 - 8.4-10.2 HD2 LYS 24 - HA ASP 71 far 0 87 0 - 9.0-31.6 HD2 LYS 36 - HA ASP 71 far 0 89 0 - 9.0-11.3 HD3 LYS 26 - HA ASP 71 far 0 89 0 - 9.7-29.8 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 7 assignments used, quality = 1.00: QD1 LEU 70 + HB3 ASP 71 OK 100 100 100 100 3.8-6.2 6964/6968=93...(12) QG2 ILE 32 - HB3 ASP 71 far 9 60 15 - 3.7-13.6 QG1 VAL 63 - HB3 ASP 71 far 0 63 0 - 7.8-10.3 QD2 LEU 49 - HB3 ASP 71 far 0 95 0 - 8.2-10.7 QG2 ILE 129 - HB3 ASP 71 far 0 93 0 - 8.4-10.6 QD2 LEU 122 - HB3 ASP 71 far 0 73 0 - 8.9-12.6 QD1 LEU 122 - HB3 ASP 71 far 0 100 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 9513 from aliabs.peaks (1.49, 3.34, 37.59 ppm; 6.13 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 42 + HB3 TYR 72 OK 99 99 100 100 3.0-4.6 2.1/9095=100...(25) HG LEU 69 + HB3 TYR 72 OK 81 81 100 100 3.4-6.7 2.1/9514=90, 3.7/2178=84...(17) HB2 LEU 49 - HB3 TYR 72 far 0 100 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 9514 from aliabs.peaks (1.00, 3.34, 37.59 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 69 + HB3 TYR 72 OK 97 97 100 100 2.7-4.9 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 1.8-3.1 10874/1.8=98...(32) QD1 ILE 129 - HB3 TYR 72 far 0 73 0 - 7.2-8.3 QD1 LEU 100 - HB3 TYR 72 far 0 63 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 9516 from aliabs.peaks (1.50, 3.02, 37.59 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.90: HG LEU 42 + HB2 TYR 72 OK 90 90 100 100 3.4-4.7 2.1/10874=92...(25) HG LEU 69 - HB2 TYR 72 far 14 95 15 - 4.8-8.3 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 2.0-3.0 10825/1.8=99...(32) QD1 LEU 49 - HB2 TYR 72 far 0 89 0 - 6.8-11.3 QG1 VAL 126 - HB2 TYR 72 far 0 65 0 - 7.5-8.8 QD1 LEU 48 - HB2 TYR 72 far 0 83 0 - 8.6-10.7 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 3.6-5.0 3.0/9010=72, ~10825=70...(23) QD1 LEU 70 - HB2 TYR 72 far 0 78 0 - 7.0-9.0 QD1 ILE 32 - HB2 TYR 72 far 0 78 0 - 7.7-13.8 QD2 LEU 49 - HB2 TYR 72 far 0 99 0 - 8.0-10.4 QD1 LEU 96 - HB2 TYR 72 far 0 89 0 - 8.2-9.5 HG13 ILE 80 - HB2 TYR 72 far 0 78 0 - 8.5-11.9 QD1 LEU 122 - HB2 TYR 72 far 0 90 0 - 9.6-13.7 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 1.8-2.7 9091/1.8=100, 10874=99...(26) QD1 ILE 129 - HB2 TYR 72 far 0 90 0 - 8.0-9.1 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 = 0.99: HB3 GLN 68 + QD TYR 72 OK 94 99 95 100 2.9-6.7 9550/2.2=93, 3.0/9482=78...(25) HB3 LEU 69 + QD TYR 72 OK 60 60 100 100 3.1-6.0 3.2/11064=84...(43) HG2 GLN 68 + QD TYR 72 OK 57 60 95 100 4.1-6.2 1.8/9482=92, ~9549=61...(20) HB VAL 133 - QD TYR 72 far 0 100 0 - 8.4-10.6 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 4 assignments used, quality = 0.92: QB ALA 41 + QD TYR 72 OK 92 92 100 100 2.6-4.7 9062=86, 9551/2.2=85...(14) QG2 THR 25 - QD TYR 72 far 0 93 0 - 8.2-20.4 QG2 THR 18 - QD TYR 72 far 0 68 0 - 8.8-23.2 QG2 VAL 77 - QD TYR 72 far 0 100 0 - 8.9-10.1 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 - 5.9-7.6 QG2 VAL 126 - QD TYR 72 far 0 95 0 - 6.4-8.4 Violated in 20 structures by 1.67 A. Peak 9528 from aliabs.peaks (0.76, 7.14, 131.84 ppm; 4.88 A): 1 out of 9 assignments used, quality = 0.98: QD1 ILE 37 + QD TYR 72 OK 98 98 100 100 1.9-3.8 10839=94, 1115/9022=87...(38) QD1 ILE 32 - QD TYR 72 far 15 98 15 - 5.3-11.5 QD2 LEU 43 - QD TYR 72 far 0 92 0 - 5.8-8.2 QD2 LEU 96 - QD TYR 72 far 0 97 0 - 6.0-7.4 QG1 VAL 93 - QD TYR 72 far 0 98 0 - 6.8-8.3 QD1 LEU 96 - QD TYR 72 far 0 93 0 - 7.1-8.2 HG12 ILE 129 - QD TYR 72 far 0 95 0 - 8.6-10.9 QD2 LEU 122 - QD TYR 72 far 0 65 0 - 8.7-12.1 QG1 VAL 63 - QD TYR 72 far 0 76 0 - 9.6-11.0 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 4.1-4.6 9570/10874=92...(8) HA LEU 69 + HB2 TYR 72 OK 73 73 100 100 3.6-5.0 9530/1.8=85, 6973/3.8=73...(20) HA SER 33 - HB2 TYR 72 far 0 83 0 - 9.1-10.8 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 2.1-3.4 2178=100, 6973/3.8=100...(25) HA CYS 73 + HB3 TYR 72 OK 62 63 100 100 4.1-4.5 9529/1.8=79, ~6996=68...(11) HA2 GLY 75 - HB3 TYR 72 poor 18 73 25 - 6.8-8.5 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 4 assignments used, quality = 0.97: HA LEU 69 + QD TYR 72 OK 97 97 100 100 2.0-3.4 11028=89, 6973/6983=74...(25) HA2 GLY 75 - QD TYR 72 far 10 96 10 - 5.2-8.1 HA LYS 24 - QD TYR 72 far 0 99 0 - 9.0-25.4 HA ASP 47 - QD TYR 72 far 0 100 0 - 9.8-10.8 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 1.9-3.6 2.2/11145=63...(16) HE ARG 90 - HA CYS 73 far 0 73 0 - 5.9-9.8 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 4 assignments used, quality = 0.99: HA LEU 69 + QE TYR 72 OK 99 99 100 100 3.1-5.3 11028/2.2=97...(19) HA2 GLY 75 - QE TYR 72 far 0 92 0 - 6.8-10.2 HA LYS 24 - QE TYR 72 far 0 97 0 - 8.8-24.0 HA ASP 47 - QE TYR 72 far 0 100 0 - 9.9-11.5 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 4.2-4.5 5.2=100 HA SER 38 - QE TYR 72 far 0 90 0 - 6.7-8.8 HA ASP 35 - QE TYR 72 far 0 81 0 - 8.0-10.0 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 2.6-4.5 9146=88, 1.8/9144=75...(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 9 assignments used, quality = 1.00: HB2 CYS 45 + QE TYR 72 OK 100 100 100 100 2.5-4.7 1.8/9547=97, 9144=90...(16) HE3 LYS 36 + QE TYR 72 OK 55 76 100 72 2.0-5.5 4.0/11126=24...(7) HE2 LYS 36 + QE TYR 72 OK 54 76 100 71 1.9-4.2 4.0/11126=24...(7) HE3 LYS 26 - QE TYR 72 far 7 71 10 - 4.4-24.9 HE2 LYS 26 - QE TYR 72 far 4 78 5 - 5.1-24.3 HE3 LYS 19 - QE TYR 72 far 0 85 0 - 7.2-24.2 HE2 LYS 31 - QE TYR 72 far 0 78 0 - 7.8-14.4 HE2 LYS 19 - QE TYR 72 far 0 85 0 - 8.0-25.0 HE3 LYS 31 - QE TYR 72 far 0 90 0 - 8.6-14.8 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 2.3-4.7 1.8/11830=100...(13) HG2 GLU 40 - QE TYR 72 far 4 81 5 - 6.6-11.5 HG2 GLU 44 - QE TYR 72 far 0 100 0 - 7.6-9.3 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: HB2 GLN 68 + QE TYR 72 OK 90 95 95 100 1.9-5.8 3.0/11830=75...(18) HG2 GLN 68 + QE TYR 72 OK 88 97 90 100 3.5-5.7 11830=96, 1.8/9549=72...(14) HB3 GLN 68 + QE TYR 72 OK 71 71 100 100 2.3-5.5 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 5 assignments used, quality = 1.00: QB ALA 41 + QE TYR 72 OK 100 100 100 100 2.3-4.8 9063=99, 9062/2.2=80...(14) HG12 ILE 32 - QE TYR 72 far 4 89 5 - 5.2-12.9 QG2 THR 25 - QE TYR 72 far 0 99 0 - 6.8-20.0 QG2 THR 18 - QE TYR 72 far 0 99 0 - 8.0-22.8 HG3 LYS 39 - QE TYR 72 far 0 97 0 - 9.6-11.6 Violated in 1 structures by 0.01 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 2.6-4.3 3.0/10840=87, 9021=83...(29) QG1 VAL 126 - QE TYR 72 far 0 100 0 - 6.5-8.7 QG2 VAL 126 - QE TYR 72 far 0 97 0 - 7.1-9.4 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 9 assignments used, quality = 0.68: QD1 ILE 37 + QE TYR 72 OK 68 68 100 100 2.0-3.9 3.0/9021=95...(21) QD2 LEU 49 - QE TYR 72 far 15 100 15 - 6.1-8.8 QD1 ILE 32 - QE TYR 72 far 10 68 15 - 3.9-11.1 QG2 ILE 129 - QE TYR 72 far 0 57 0 - 7.1-8.9 QD1 LEU 70 - QE TYR 72 far 0 87 0 - 7.5-8.7 QD1 LEU 96 - QE TYR 72 far 0 81 0 - 7.7-9.5 QG1 VAL 63 - QE TYR 72 far 0 96 0 - 8.9-10.9 QD1 LEU 122 - QE TYR 72 far 0 96 0 - 9.1-12.0 QD2 LEU 122 - QE TYR 72 far 0 99 0 - 9.4-12.6 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 4.4-5.4 9961/3.0=84, 11422=83...(19) QD2 LEU 96 + HA CYS 73 OK 37 100 40 92 5.4-6.8 11693/4.6=49...(12) QD1 LEU 103 - HA PRO 113 far 1 26 5 - 5.6-11.2 HG12 ILE 129 - HA CYS 73 far 0 99 0 - 6.1-9.1 QD2 LEU 43 - HA CYS 73 far 0 99 0 - 6.4-8.5 QD1 ILE 37 - HA CYS 73 far 0 90 0 - 6.4-7.9 QD2 LEU 103 - HA PRO 113 far 0 40 0 - 6.5-10.3 QD1 LEU 96 - HA CYS 73 far 0 81 0 - 7.0-8.9 Violated in 1 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 1.9-3.6 9565/2.9=46...(23) QD1 ILE 129 - HA CYS 73 far 0 93 0 - 5.6-6.7 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 3.6-4.1 9959/3.0=80, 9955=77...(28) QD1 ILE 80 + HA CYS 73 OK 82 87 100 94 4.5-5.4 9748/9538=38...(17) Violated in 0 structures by 0.00 A. Peak 9572 from aliabs.peaks (0.77, 2.74, 27.42 ppm; 6.01 A): 4 out of 7 assignments used, quality = 1.00: QG1 VAL 93 + HB2 CYS 73 OK 90 90 100 100 2.3-3.5 2.1/9959=99, 9961=85...(22) QD2 LEU 96 + HB2 CYS 73 OK 88 89 100 99 3.5-5.6 11810/2232=69...(11) HG12 ILE 129 + HB2 CYS 73 OK 62 83 75 100 4.4-8.0 11717/9959=58, ~10462=52...(13) QD1 LEU 96 + HB2 CYS 73 OK 60 99 65 93 5.5-7.9 ~11693=60, 2.1/11803=48...(8) QD2 LEU 43 - HB2 CYS 73 far 4 78 5 - 6.8-9.0 QD2 LEU 122 - HB2 CYS 73 far 0 83 0 - 8.0-12.4 QD1 ILE 37 - HB2 CYS 73 far 0 100 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 9573 from aliabs.peaks (0.28, 2.74, 27.42 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + HB2 CYS 73 OK 98 98 100 100 1.8-2.4 9959=96, 2.1/9961=93...(30) QD1 ILE 80 + HB2 CYS 73 OK 60 93 75 86 4.7-6.5 9571/3.0=32...(15) Violated in 0 structures by 0.00 A. Peak 9579 from aliabs.peaks (0.77, 3.31, 27.42 ppm; 4.96 A): 3 out of 9 assignments used, quality = 0.98: QG1 VAL 93 + HB3 CYS 73 OK 83 83 100 100 1.9-4.3 2.1/9581=78, ~9959=76...(24) QD2 LEU 96 + HB3 CYS 73 OK 77 81 100 95 3.2-5.0 11810/2233=47...(15) QD1 LEU 96 + HB3 CYS 73 OK 37 100 45 83 4.7-7.4 ~11693=41, ~11803=31...(11) HG12 ILE 129 - HB3 CYS 73 far 7 73 10 - 5.0-7.7 QD2 LEU 43 - HB3 CYS 73 far 0 68 0 - 6.9-9.5 QD2 LEU 49 - HB3 CYS 73 far 0 65 0 - 7.2-10.1 QD1 ILE 37 - HB3 CYS 73 far 0 100 0 - 7.5-9.1 QD2 LEU 122 - HB3 CYS 73 far 0 90 0 - 7.5-11.5 QD1 LEU 53 - HB3 CYS 73 far 0 76 0 - 9.6-15.3 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 2.0-4.2 9570/3.0=98, 9565/3.8=84...(23) QD1 ILE 129 + HB3 CYS 73 OK 90 90 100 100 4.3-5.5 9967/9581=88...(20) Violated in 0 structures by 0.00 A. Peak 9581 from aliabs.peaks (0.28, 3.31, 27.42 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB3 CYS 73 OK 100 100 100 100 1.9-3.0 9959/1.8=98, 9955/3.0=77...(33) QD1 ILE 80 - HB3 CYS 73 far 9 87 10 - 4.9-7.2 Violated in 0 structures by 0.00 A. Peak 9587 from aliabs.peaks (2.95, 4.29, 61.37 ppm; 4.31 A): 2 out of 21 assignments used, quality = 0.83: HE3 LYS 26 + HA THR 25 OK 74 97 85 89 3.2-7.5 3.6/11150=63, 7.1/582=23...(12) HE2 LYS 26 + HA THR 25 OK 35 98 40 89 2.8-7.9 3.6/11150=63, 7.1/582=23...(12) HE3 LYS 24 - HA THR 25 far 10 98 10 - 4.8-9.1 HE3 LYS 19 - HA THR 18 far 7 68 10 - 4.8-9.2 HE2 LYS 19 - HA SER 74 far 5 100 5 - 5.0-34.2 HE3 LYS 31 - HA THR 25 far 5 99 5 - 4.9-17.1 HE2 LYS 31 - HA THR 25 far 5 98 5 - 5.1-18.0 HE3 LYS 86 - HA PHE 87 far 4 44 10 - 4.4-7.9 HE2 LYS 24 - HA THR 18 far 0 68 0 - 5.8-15.2 HE2 LYS 24 - HA THR 25 far 0 99 0 - 6.1-9.0 HE2 LYS 19 - HA THR 18 far 0 68 0 - 6.1-8.5 HE3 LYS 19 - HA SER 74 far 0 100 0 - 6.5-33.5 HE3 LYS 24 - HA THR 18 far 0 66 0 - 7.2-14.7 HE3 LYS 86 - HA SER 74 far 0 100 0 - 7.4-12.0 HE3 LYS 31 - HA THR 18 far 0 68 0 - 8.1-25.1 HE2 LYS 31 - HA THR 18 far 0 67 0 - 8.6-24.0 HD2 ARG 135 - HA PHE 87 far 0 22 0 - 9.2-13.6 HE2 LYS 24 - HA SER 74 far 0 100 0 - 9.3-36.8 HE3 LYS 24 - HA SER 74 far 0 99 0 - 9.3-37.4 HE2 LYS 26 - HA THR 18 far 0 67 0 - 9.8-21.3 HB2 CYS 45 - HA THR 25 far 0 83 0 - 10.0-31.5 Violated in 9 structures by 0.21 A. Peak 9588 from aliabs.peaks (2.74, 4.29, 61.37 ppm; 5.23 A): 2 out of 9 assignments used, quality = 0.99: HB2 CYS 73 + HA SER 74 OK 99 100 100 99 4.1-5.2 9961/9590=70...(11) HB2 TYR 76 + HA SER 74 OK 28 73 55 69 5.6-7.3 7009/2.9=25...(9) HB3 ASP 35 - HA THR 25 far 9 94 10 - 5.2-23.2 HB3 ASN 13 - HA THR 18 far 2 34 5 - 5.6-16.7 HB2 ASP 64 - HA THR 25 far 0 94 0 - 6.4-35.1 HB3 ASP 78 - HA SER 74 far 0 90 0 - 6.6-9.4 HB2 CYS 73 - HA PHE 87 far 0 44 0 - 8.8-11.2 HB3 ASP 35 - HA THR 18 far 0 61 0 - 9.5-28.5 HB3 ASP 78 - HA PHE 87 far 0 35 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 9589 from aliabs.peaks (1.64, 4.29, 61.37 ppm; 4.63 A): 4 out of 33 assignments used, quality = 0.80: HD3 LYS 26 + HA THR 25 OK 42 85 50 99 4.3-7.0 2.9/11150=81, 5.7/582=48...(16) QB ALA 88 + HA PHE 87 OK 32 32 100 100 5.0-5.0 7185/3.6=71, ~7170=41...(16) HD2 LYS 26 + HA THR 25 OK 31 90 35 99 3.0-7.4 2.9/11150=81, 5.7/582=48...(14) HD2 LYS 19 + HA THR 18 OK 26 66 40 97 5.2-7.4 10696/3.2=84...(14) HD3 LYS 24 - HA THR 25 far 14 96 15 - 3.4-7.5 HB3 LEU 22 - HA THR 18 poor 11 37 30 - 2.8-10.0 HD3 LYS 19 - HA THR 18 far 10 67 15 - 5.1-7.8 HG LEU 22 - HA THR 18 far 7 44 15 - 5.0-12.5 HD2 LYS 24 - HA THR 25 far 4 86 5 - 5.2-8.2 HG3 ARG 23 - HA THR 25 far 4 71 5 - 5.2-8.8 HG3 ARG 23 - HA THR 18 far 2 43 5 - 5.3-12.1 HD3 LYS 19 - HA SER 74 far 0 100 0 - 5.6-34.0 HG LEU 22 - HA THR 25 far 0 74 0 - 5.6-11.8 HD2 LYS 86 - HA PHE 87 far 0 39 0 - 6.1-7.9 HD3 LYS 31 - HA THR 18 far 0 58 0 - 6.1-23.4 HD3 LYS 86 - HA PHE 87 far 0 41 0 - 6.2-7.8 HB3 LEU 22 - HA THR 25 far 0 63 0 - 6.4-10.7 HD2 LYS 24 - HA THR 18 far 0 54 0 - 6.6-15.6 HG3 ARG 84 - HA PHE 87 far 0 43 0 - 6.8-9.9 HD2 LYS 31 - HA THR 25 far 0 95 0 - 6.8-18.4 HD2 LYS 19 - HA SER 74 far 0 99 0 - 7.0-33.1 HD2 LYS 31 - HA THR 18 far 0 62 0 - 7.4-23.7 HD3 LYS 31 - HA THR 25 far 0 91 0 - 7.5-18.2 HG2 ARG 84 - HA PHE 87 far 0 42 0 - 7.8-9.4 HD3 LYS 24 - HA THR 18 far 0 64 0 - 8.1-15.5 HD2 LYS 86 - HA SER 74 far 0 96 0 - 8.2-11.3 HB2 LEU 69 - HA SER 74 far 0 99 0 - 8.3-11.1 HD2 LYS 26 - HA THR 18 far 0 57 0 - 8.8-21.0 HD3 LYS 86 - HA SER 74 far 0 98 0 - 9.3-11.8 HD3 LYS 95 - HA PHE 87 far 0 36 0 - 9.5-11.6 HD3 LYS 26 - HA THR 18 far 0 53 0 - 9.6-21.2 HD2 LYS 95 - HA PHE 87 far 0 40 0 - 9.6-11.9 HD2 LYS 36 - HA THR 25 far 0 85 0 - 9.7-20.9 Violated in 2 structures by 0.01 A. Peak 9590 from aliabs.peaks (0.75, 4.29, 61.37 ppm; 4.41 A): 1 out of 10 assignments used, quality = 0.91: QG1 VAL 93 + HA SER 74 OK 91 100 95 96 2.9-5.7 11421/3.0=52...(8) QD1 ILE 32 - HA THR 25 far 13 88 15 - 1.9-12.2 QD2 LEU 96 - HA SER 74 far 0 100 0 - 5.8-8.7 QD1 ILE 37 - HA THR 25 far 0 88 0 - 7.2-18.8 QD1 ILE 32 - HA THR 18 far 0 56 0 - 7.2-20.7 QD1 ILE 37 - HA SER 74 far 0 90 0 - 7.4-9.2 QD1 LEU 96 - HA SER 74 far 0 81 0 - 7.4-10.5 QG1 VAL 93 - HA PHE 87 far 0 44 0 - 8.3-9.1 HG12 ILE 129 - HA SER 74 far 0 99 0 - 8.5-12.8 HG12 ILE 129 - HA PHE 87 far 0 43 0 - 9.1-12.8 Violated in 2 structures by 0.07 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 4.0-6.7 2.1/9590=100...(12) QG2 VAL 93 - HA PHE 87 far 2 39 5 - 7.4-8.2 Violated in 1 structures by 0.00 A. Peak 9592 from aliabs.peaks (1.06, 4.29, 61.37 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.99: QG1 VAL 77 + HA SER 74 OK 99 99 100 100 2.2-4.3 11188=98, 2.1/11195=31...(17) QG1 VAL 77 - HA PHE 87 far 0 42 0 - 5.9-7.8 QG2 VAL 133 - HA SER 74 far 0 83 0 - 8.4-11.3 QG2 VAL 133 - HA PHE 87 far 0 31 0 - 9.1-12.3 Violated in 3 structures by 0.02 A. Peak 9604 from aliabs.peaks (0.78, 4.32, 45.42 ppm; 4.80 A): 1 out of 4 assignments used, quality = 0.34: QD1 ILE 37 + HA2 GLY 75 OK 34 99 35 99 3.8-8.1 9608/1.8=76, 9026/2.9=59...(12) QG1 VAL 93 - HA2 GLY 75 far 0 68 0 - 6.6-8.7 QD1 ILE 32 - HA2 GLY 75 far 0 99 0 - 8.6-15.4 QD2 LEU 96 - HA2 GLY 75 far 0 65 0 - 9.2-11.4 Violated in 18 structures by 1.31 A. Peak 9607 from aliabs.peaks (0.92, 3.89, 45.42 ppm; 6.80 A): 3 out of 11 assignments used, quality = 0.99: QG2 ILE 37 + HA3 GLY 75 OK 95 95 100 100 2.7-6.2 3.0/9608=98...(13) QG2 VAL 112 + HA2 GLY 114 OK 69 73 95 100 6.6-8.0 ~11518=86, ~11492=78...(7) QD1 LEU 119 + HA2 GLY 114 OK 59 59 100 100 1.9-6.3 10160/2.9=99...(14) QG1 VAL 57 - HA2 GLY 114 poor 16 52 30 - 7.0-13.9 QD1 LEU 62 - HA2 GLY 114 lone 9 70 75 18 4.3-10.2 3787/2253=6, 10165/1.8=4...(5) QG1 VAL 20 - HA3 GLY 75 far 5 95 5 - 5.1-26.5 QG1 VAL 118 - HA2 GLY 114 far 4 39 10 - 7.3-10.6 QG2 VAL 20 - HA3 GLY 75 far 3 63 5 - 7.0-27.6 QG2 VAL 63 - HA2 GLY 114 far 0 67 0 - 8.7-13.9 QD1 LEU 49 - HA2 GLY 114 far 0 69 0 - 8.9-16.0 QD1 LEU 123 - HA2 GLY 114 far 0 72 0 - 9.0-14.4 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 = 0.85: QD1 ILE 37 + HA3 GLY 75 OK 78 99 80 99 3.5-7.0 9604/1.8=83, 9026/2.9=67...(7) QD2 LEU 119 + HA2 GLY 114 OK 31 39 80 99 2.7-8.4 ~10160=61, ~10165=55...(9) QD1 LEU 103 - HA2 GLY 114 far 5 54 10 - 5.7-12.3 QD2 LEU 103 - HA2 GLY 114 far 0 39 0 - 7.0-11.7 QG1 VAL 93 - HA3 GLY 75 far 0 97 0 - 7.3-9.2 QD2 LEU 122 - HA2 GLY 114 far 0 44 0 - 8.2-14.5 QD1 ILE 32 - HA3 GLY 75 far 0 99 0 - 8.8-14.1 QD2 LEU 96 - HA3 GLY 75 far 0 96 0 - 9.5-11.5 Violated in 2 structures by 0.03 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 4.3-4.9 10880=83, 9092/3.0=78...(19) QD1 ILE 129 - HA TYR 76 far 0 89 0 - 9.1-10.5 Violated in 3 structures by 0.02 A. Peak 9616 from aliabs.peaks (1.18, 4.31, 59.75 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 77 + HA TYR 76 OK 100 100 100 100 6.1-6.1 7044/3.6=100...(22) QB ALA 41 + HA TYR 76 OK 84 100 85 100 6.4-8.4 10819/10833=98...(6) HG3 LYS 39 - HA TYR 76 far 0 83 0 - 8.1-10.3 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 2.0-3.1 9092/1.8=90...(20) QD1 ILE 129 - HB2 ASP 131 far 0 95 0 - 6.1-7.8 QD1 ILE 129 - HB2 TYR 76 far 0 97 0 - 7.0-9.4 QD1 LEU 42 - HB2 ASP 131 far 0 97 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9619 from aliabs.peaks (2.31, 2.76, 40.83 ppm; 5.00 A): 3 out of 5 assignments used, quality = 0.70: HB3 GLN 134 + HB2 ASP 131 OK 37 84 45 99 4.4-8.2 4194/3.0=68, ~4193=49...(10) HB VAL 77 + HB2 TYR 76 OK 36 60 60 100 4.3-6.5 ~11169=56, ~11145=47...(18) HG2 GLU 128 + HB2 ASP 131 OK 25 55 45 100 4.4-7.9 1.8/10450=79...(14) HG3 GLN 68 - HB2 TYR 76 far 0 99 0 - 8.8-12.1 HG2 GLU 40 - HB2 TYR 76 far 0 81 0 - 8.9-12.6 Violated in 1 structures by 0.01 A. Peak 9620 from aliabs.peaks (3.79, 2.76, 40.83 ppm; 6.35 A): 3 out of 10 assignments used, quality = 0.98: HA SER 130 + HB2 ASP 131 OK 84 84 100 100 5.6-6.6 3.6/7903=99, ~11646=74...(13) HB3 SER 130 + HB2 ASP 131 OK 78 82 95 100 4.1-7.4 4.6/7903=93...(13) HB2 SER 130 + HB2 ASP 131 OK 40 58 70 99 4.5-7.5 4.6/7903=93, ~10520=37...(7) HA VAL 133 - HB2 TYR 76 far 11 76 15 - 6.2-9.7 HA ARG 90 - HB2 TYR 76 far 0 99 0 - 7.4-10.7 HA VAL 133 - HB2 ASP 131 far 0 73 0 - 7.6-8.6 HA LEU 43 - HB2 ASP 131 far 0 91 0 - 7.6-10.0 HA SER 130 - HB2 TYR 76 far 0 87 0 - 7.7-9.7 HA LEU 43 - HB2 TYR 76 far 0 93 0 - 8.3-9.9 HB2 SER 130 - HB2 TYR 76 far 0 60 0 - 9.0-12.4 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 4.7-4.9 4.7=100 HA PRO 81 - QE TYR 76 poor 14 71 20 - 5.7-8.3 HA LYS 36 - QE TYR 76 far 0 87 0 - 7.8-10.7 HA ASP 131 - QE TYR 76 far 0 99 0 - 8.3-9.4 HA2 GLY 75 - QE TYR 76 far 0 76 0 - 8.3-8.6 HA SER 74 - QE TYR 76 far 0 93 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 9624 from aliabs.peaks (3.76, 6.48, 116.85 ppm; 5.51 A): 2 out of 5 assignments used, quality = 1.00: HA VAL 133 + QE TYR 76 OK 99 99 100 100 2.3-4.2 10559=99, 3.2/10555=91...(16) HA SER 130 + QE TYR 76 OK 38 97 40 97 5.5-7.0 11861/10555=72...(11) HA LEU 43 - QE TYR 76 far 5 92 5 - 5.8-8.0 HB3 SER 130 - QE TYR 76 far 0 97 0 - 7.8-9.5 HA THR 83 - QE TYR 76 far 0 81 0 - 8.1-9.6 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 1.9-3.0 9036=99, 10578/10558=73...(17) 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 4 assignments used, quality = 1.00: HB3 TYR 76 + QE TYR 76 OK 100 100 100 100 4.4-4.5 4.5=100 HD3 ARG 90 - QE TYR 76 far 0 71 0 - 8.0-11.3 HD2 ARG 90 - QE TYR 76 far 0 63 0 - 8.3-11.7 HB3 CYS 45 - QE TYR 76 far 0 81 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 9627 from aliabs.peaks (2.74, 6.48, 116.85 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.98: HB2 CYS 73 + QE TYR 76 OK 89 100 90 99 6.1-8.2 ~11126=68, ~11146=49...(14) HB2 TYR 76 + QE TYR 76 OK 83 83 100 100 4.4-4.5 4.5=100 HB3 ASP 78 - QE TYR 76 far 0 83 0 - 8.9-9.5 HB2 ASP 131 - QE TYR 76 far 0 73 0 - 9.8-10.8 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 1.9-4.2 9037=93, 3.0/9036=92...(10) HB2 PRO 81 + QE TYR 76 OK 20 90 70 32 5.3-8.5 1.8/11162=20, 9037=11 HG3 GLN 134 - QE TYR 76 far 15 100 15 - 6.9-8.3 HB3 GLN 82 - QE TYR 76 far 0 99 0 - 7.4-9.1 HB3 GLU 44 - QE TYR 76 far 0 98 0 - 7.6-11.4 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 4 assignments used, quality = 1.00: HB2 LYS 39 + QE TYR 76 OK 96 96 100 100 2.2-4.7 11767/10555=83...(12) HB ILE 80 + QE TYR 76 OK 92 92 100 100 4.0-4.7 2.1/9739=99, 3.2/9746=95...(23) HG13 ILE 129 - QE TYR 76 far 0 99 0 - 7.5-9.6 HG3 ARG 90 - QE TYR 76 far 0 95 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 9630 from aliabs.peaks (1.18, 6.48, 116.85 ppm; 4.85 A): 3 out of 3 assignments used, quality = 0.98: HG3 LYS 39 + QE TYR 76 OK 82 83 100 99 3.1-5.1 4.0/9036=56...(17) QG2 VAL 77 + QE TYR 76 OK 80 100 80 100 5.2-6.1 11169/2.2=84...(20) QB ALA 41 + QE TYR 76 OK 54 100 60 91 4.3-6.5 9042/9034=53...(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 2.8-3.7 10555=97, 2.1/10558=84...(24) QG1 VAL 77 - QE TYR 76 far 0 96 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 9632 from aliabs.peaks (0.83, 6.48, 116.85 ppm; 4.30 A): 4 out of 6 assignments used, quality = 1.00: QG1 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-4.3 10558=91, 2.1/10555=84...(28) QG2 ILE 80 + QE TYR 76 OK 79 83 95 100 3.7-5.2 9739=74, 3.1/9746=73...(26) HG13 ILE 80 + QE TYR 76 OK 76 76 100 100 1.9-4.4 2.1/9746=88, 3.2/9739=64...(19) QG2 ILE 129 + QE TYR 76 OK 25 97 30 87 4.9-5.8 10486/9109=30...(14) QD1 LEU 70 - QE TYR 76 far 0 76 0 - 9.4-12.3 QD2 LEU 70 - QE TYR 76 far 0 78 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9633 from aliabs.peaks (0.25, 6.48, 116.85 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.96: QD1 ILE 80 + QE TYR 76 OK 96 96 100 100 2.0-2.9 9746=92, 3.1/9739=82...(40) 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 3.1-4.9 11676/10555=76...(20) QD1 ILE 129 - QE TYR 76 far 0 76 0 - 7.3-8.6 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 2.0-2.9 9092=98, 9617/1.8=78...(21) QD1 ILE 129 - HB3 TYR 76 far 0 97 0 - 6.6-9.3 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 2.9-3.6 11742/2401=81...(34) QB ALA 92 + HA ILE 129 OK 86 86 100 100 3.1-3.7 9946/3.2=82...(23) QB ALA 34 - HA VAL 77 far 0 93 0 - 8.2-12.9 QB ALA 92 - HA VAL 77 far 0 100 0 - 8.4-9.2 HG2 LYS 86 - HA ILE 129 far 0 74 0 - 9.5-10.7 HG3 LYS 19 - HA VAL 77 far 0 98 0 - 9.6-35.4 Violated in 0 structures by 0.00 A. Peak 9645 from aliabs.peaks (1.74, 3.45, 65.83 ppm; 4.77 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 80 + HA VAL 77 OK 99 99 100 100 2.6-3.5 3.2/9725=84...(35) HG13 ILE 129 + HA ILE 129 OK 86 86 100 100 3.1-3.9 3.7=100 HG3 ARG 90 + HA VAL 77 OK 65 100 65 100 4.2-6.6 9651/3.2=78...(32) HG13 ILE 129 - HA VAL 77 far 0 100 0 - 7.0-10.5 HG3 ARG 90 - HA ILE 129 far 0 85 0 - 7.8-9.6 HB ILE 80 - HA ILE 129 far 0 84 0 - 9.0-10.7 HB2 LYS 39 - HA VAL 77 far 0 83 0 - 9.2-11.7 HB3 LEU 70 - HA ILE 129 far 0 48 0 - 9.3-12.3 HD3 LYS 39 - HA VAL 77 far 0 60 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 9646 from aliabs.peaks (0.80, 2.34, 31.42 ppm; 4.89 A): 1 out of 9 assignments used, quality = 0.28: QG2 ILE 129 + HB VAL 77 OK 28 81 45 76 5.3-6.3 10457/9671=50...(5) HG13 ILE 80 - HB VAL 77 poor 20 98 20 - 5.1-7.0 QG2 ILE 80 - HB VAL 77 far 5 96 5 - 5.8-6.7 QD2 LEU 119 - HB2 PRO 117 far 3 34 10 - 4.6-8.6 QD1 LEU 70 - HB VAL 77 far 0 98 0 - 6.6-10.2 QD1 LEU 103 - HB2 PRO 117 far 0 26 0 - 7.1-11.2 QD1 LEU 122 - HB2 PRO 117 far 0 40 0 - 8.0-10.9 QD2 LEU 122 - HB2 PRO 117 far 0 31 0 - 8.0-11.2 QD1 LEU 53 - HB2 PRO 117 far 0 37 0 - 9.6-11.8 Violated in 20 structures by 0.91 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 3.2-3.9 9649/2.1=86, 9648/2.1=82...(40) QG2 VAL 93 + HB VAL 77 OK 94 96 100 98 4.1-4.9 9969/2.1=69...(11) Violated in 0 structures by 0.00 A. Peak 9648 from aliabs.peaks (0.28, 1.05, 19.58 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 80 + QG1 VAL 77 OK 92 92 100 100 4.0-4.3 9649/2.1=69, 9719=60...(57) QG2 VAL 93 - QG1 VAL 77 far 10 99 10 - 4.2-5.8 Violated in 20 structures by 0.25 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 2.0-2.9 9725/2401=49...(51) QG2 VAL 93 - QG2 VAL 77 far 0 76 0 - 4.2-5.4 Violated in 0 structures by 0.00 A. Peak 9650 from aliabs.peaks (1.47, 1.05, 19.58 ppm; 3.92 A): 0 out of 2 assignments used, quality = 0.00: HG3 LYS 86 - QG1 VAL 77 poor 20 99 20 - 3.2-6.0 HG LEU 42 - QG1 VAL 77 far 0 85 0 - 8.3-9.4 Violated in 17 structures by 1.22 A. Peak 9651 from aliabs.peaks (1.75, 1.05, 19.58 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.90: HG3 ARG 90 + QG1 VAL 77 OK 90 95 95 100 2.1-4.8 1.8/9652=65...(32) HB ILE 80 - QG1 VAL 77 far 0 92 0 - 4.6-5.4 HG13 ILE 129 - QG1 VAL 77 far 0 99 0 - 6.5-10.2 HB2 LYS 19 - QG1 VAL 77 far 0 99 0 - 7.9-27.8 Violated in 6 structures by 0.10 A. Peak 9652 from aliabs.peaks (2.01, 1.05, 19.58 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.99: HG2 ARG 90 + QG1 VAL 77 OK 99 99 100 100 2.3-4.3 1.8/9651=83, 9662/2.1=82...(27) HB VAL 20 - QG1 VAL 77 far 0 93 0 - 7.8-31.2 HB2 GLU 91 - QG1 VAL 77 far 0 83 0 - 7.8-9.6 HB3 GLU 91 - QG1 VAL 77 far 0 87 0 - 8.5-10.7 HB ILE 129 - QG1 VAL 77 far 0 96 0 - 8.6-10.4 HG2 PRO 81 - QG1 VAL 77 far 0 99 0 - 9.5-10.6 Violated in 3 structures by 0.02 A. Peak 9653 from aliabs.peaks (2.52, 1.05, 19.58 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.68: HB2 ASP 78 + QG1 VAL 77 OK 68 68 100 100 2.7-3.3 3.0/11189=81...(16) Violated in 0 structures by 0.00 A. Peak 9654 from aliabs.peaks (2.75, 1.05, 19.58 ppm; 4.38 A): 3 out of 3 assignments used, quality = 0.91: HB3 ASP 78 + QG1 VAL 77 OK 71 71 100 100 3.0-4.0 1.8/9653=74...(17) HB2 TYR 76 + QG1 VAL 77 OK 55 92 60 100 4.3-6.1 4.5/7043=58...(22) HB2 CYS 73 + QG1 VAL 77 OK 34 97 40 86 3.8-6.1 9588/11188=32...(12) Violated in 0 structures by 0.00 A. Peak 9655 from aliabs.peaks (2.95, 1.05, 19.58 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.80: HE3 LYS 86 + QG1 VAL 77 OK 80 100 80 100 2.8-6.2 1.8/11201=79...(21) HE2 LYS 19 - QG1 VAL 77 far 0 100 0 - 5.4-29.8 HE3 LYS 19 - QG1 VAL 77 far 0 100 0 - 6.8-29.0 HE2 LYS 24 - QG1 VAL 77 far 0 100 0 - 7.5-31.7 HE3 LYS 24 - QG1 VAL 77 far 0 100 0 - 7.9-32.3 Violated in 4 structures by 0.34 A. Peak 9656 from aliabs.peaks (3.17, 1.05, 19.58 ppm; 3.63 A): 2 out of 2 assignments used, quality = 0.98: HD2 ARG 90 + QG1 VAL 77 OK 94 99 95 100 1.9-5.2 3.0/9651=55, 11385=54...(36) HD3 ARG 90 + QG1 VAL 77 OK 63 97 65 100 2.3-5.2 3.0/9651=55...(35) Violated in 3 structures by 0.03 A. Peak 9657 from aliabs.peaks (3.17, 2.34, 31.42 ppm; 5.51 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 90 + HB VAL 77 OK 99 99 100 100 2.5-6.0 2.9/11174=78, ~9662=72...(38) HD2 ARG 90 + HB VAL 77 OK 95 100 95 100 2.0-6.7 2.9/11174=78, ~9662=72...(39) HB3 HIS 3 - HB2 PRO 117 far 2 38 5 - 3.3-78.5 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 4 assignments used, quality = 1.00: HD2 ARG 90 + QG2 VAL 77 OK 99 99 100 100 1.9-4.2 3.0/9662=54, 2.9/9676=49...(38) HD3 ARG 90 + QG2 VAL 77 OK 97 97 100 100 2.0-3.8 3.0/9662=54, 2.9/9676=49...(38) HD2 ARG 84 - QG2 VAL 77 far 0 92 0 - 8.3-11.5 HD3 ARG 84 - QG2 VAL 77 far 0 92 0 - 8.7-11.2 Violated in 1 structures by 0.00 A. Peak 9660 from aliabs.peaks (2.94, 1.19, 22.02 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.99: HE3 LYS 86 + QG2 VAL 77 OK 99 99 100 100 1.9-4.4 1.8/11196=80...(23) HE2 LYS 19 - QG2 VAL 77 far 0 98 0 - 7.7-30.7 HD2 ARG 135 - QG2 VAL 77 far 0 81 0 - 8.6-12.3 HE3 LYS 19 - QG2 VAL 77 far 0 98 0 - 9.1-30.6 HE2 LYS 39 - QG2 VAL 77 far 0 87 0 - 9.4-12.8 HE2 LYS 24 - QG2 VAL 77 far 0 99 0 - 9.4-32.8 Violated in 4 structures by 0.04 A. Peak 9662 from aliabs.peaks (2.01, 1.19, 22.02 ppm; 3.46 A): 1 out of 7 assignments used, quality = 0.96: HG2 ARG 90 + QG2 VAL 77 OK 96 96 100 100 1.8-2.1 9652/2.1=54...(29) HB2 GLU 91 - QG2 VAL 77 far 0 90 0 - 6.0-7.8 HB3 GLU 91 - QG2 VAL 77 far 0 78 0 - 6.6-8.7 HG2 PRO 81 - QG2 VAL 77 far 0 100 0 - 7.7-9.3 HB ILE 129 - QG2 VAL 77 far 0 99 0 - 8.0-9.8 HG3 ARG 135 - QG2 VAL 77 far 0 78 0 - 8.5-11.0 HB2 PRO 81 - QG2 VAL 77 far 0 41 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 9663 from aliabs.peaks (1.77, 1.19, 22.02 ppm; 3.21 A): 1 out of 2 assignments used, quality = 0.73: HB2 LYS 86 + QG2 VAL 77 OK 73 73 100 100 2.1-4.0 3.0/11182=47...(28) HG13 ILE 129 - QG2 VAL 77 far 0 68 0 - 5.9-9.5 Violated in 4 structures by 0.10 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 3.1-4.3 2.2/9667=86, 9671/3.0=85...(26) QE PHE 89 + HA ILE 129 OK 82 82 100 100 3.6-5.0 10457/3.2=87...(22) 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 2.3-4.0 9677/2401=95...(27) QD PHE 89 + HA ILE 129 OK 86 86 100 100 3.1-4.6 10554/10566=69...(24) 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 3.1-3.4 5.0/9725=92, 9680/3.6=86...(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 4.1-4.8 9746/9725=95...(22) QE TYR 76 - HA ILE 129 far 0 84 0 - 6.9-8.2 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 2.5-3.7 9676/2.1=74, 2.2/9672=70...(20) 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 1.9-3.5 9677/2.1=86, 2.2/9671=74...(27) Violated in 0 structures by 0.00 A. Peak 9673 from aliabs.peaks (7.42, 1.05, 19.58 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.93: QE PHE 89 + QG1 VAL 77 OK 93 93 100 100 3.8-4.6 9676/2.1=81, 2.2/9674=71...(23) Violated in 13 structures by 0.16 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 3.5-4.7 9677/2.1=85, 2.2/9673=70...(29) Violated in 7 structures by 0.10 A. Peak 9676 from aliabs.peaks (7.42, 1.19, 22.02 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.78: QE PHE 89 + QG2 VAL 77 OK 78 97 80 100 3.0-4.8 2.2/9677=75, 9673/2.1=58...(24) Violated in 17 structures by 0.36 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 1.9-3.4 2.2/9676=56, 9672/2.1=48...(29) Violated in 1 structures by 0.00 A. Peak 9682 from aliabs.peaks (3.74, 3.45, 65.83 ppm; 6.23 A): 3 out of 3 assignments used, quality = 0.70: HA VAL 133 + HA ILE 129 OK 39 46 85 100 6.4-7.3 3.2/10566=97...(15) HA THR 83 + HA VAL 77 OK 34 100 40 84 6.8-7.8 11342/11858=55...(6) HA VAL 133 + HA VAL 77 OK 26 60 60 71 6.1-7.6 10590/9725=38...(7) 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 95 100 95 100 6.0-7.2 3.1/9667=93, 4.7/9666=75...(23) HA PHE 89 + HA ILE 129 OK 86 86 100 100 3.1-4.0 2897/10478=81, 11369=80...(24) HA CYS 79 + HA VAL 77 OK 81 81 100 100 6.2-6.4 2.9/9702=91, 3.6/9668=87...(11) HA ALA 92 + HA ILE 129 OK 43 43 100 100 6.2-6.9 2.1/10478=86, ~9946=81...(17) HB2 SER 74 - HA VAL 77 far 0 60 0 - 8.0-9.5 HB3 SER 74 - HA VAL 77 far 0 71 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 9692 from aliabs.peaks (1.06, 2.50, 39.87 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HB2 ASP 78 OK 100 100 100 100 2.7-3.3 9653=98, 7052/7055=93...(16) QG2 VAL 133 - HB2 ASP 78 far 0 93 0 - 9.9-11.6 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 2 assignments used, quality = 0.98: QG1 VAL 77 + HB3 ASP 78 OK 98 98 100 100 3.0-4.0 7052/7056=90...(19) QG2 VAL 133 - HB2 ASP 47 far 0 70 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 9695 from aliabs.peaks (1.05, 4.38, 55.71 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HA ASP 78 OK 100 100 100 100 2.9-3.4 11189=93, 7052/2.9=76...(22) QG2 VAL 133 - HA ASP 78 far 0 99 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 9705 from aliabs.peaks (6.48, 2.60, 26.84 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.97: QE TYR 76 + HB3 CYS 79 OK 92 100 95 97 4.1-5.2 9706/1.8=63, 9704/4.4=39...(13) QD TYR 76 + HB3 CYS 79 OK 68 73 100 93 3.3-4.2 ~9706=45, 3.1/11911=31...(15) 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 = 0.97: QE TYR 76 + HB2 CYS 79 OK 97 99 100 97 3.8-5.4 9705/1.8=50, 9704/4.4=49...(12) Violated in 9 structures by 0.10 A. Peak 9713 from aliabs.peaks (1.42, 1.74, 38.30 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.97: HG2 LYS 86 + HB ILE 80 OK 97 97 100 100 1.9-3.0 9720/3.2=86...(36) QB ALA 92 - HB ILE 80 far 0 100 0 - 9.4-10.8 QB ALA 34 - HB ILE 80 far 0 97 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 9714 from aliabs.peaks (2.25, 0.82, 16.85 ppm; 4.31 A): 2 out of 9 assignments used, quality = 0.66: HB2 PRO 81 + QG2 ILE 80 OK 45 45 100 100 4.6-5.0 11281=59, 11265/3.2=55...(31) HB3 LEU 96 + QG2 ILE 129 OK 39 100 40 97 4.9-6.9 10492/4163=49...(21) HB3 GLU 128 - QG2 ILE 129 far 5 93 5 - 4.9-6.8 HB2 GLN 68 - QG2 ILE 32 far 4 30 15 - 4.4-14.6 HG2 GLU 97 - QG2 ILE 129 far 0 100 0 - 6.4-10.3 HG2 GLU 30 - QG2 ILE 32 far 0 32 0 - 6.9-8.8 HB3 GLU 97 - QG2 ILE 129 far 0 68 0 - 7.4-9.9 HB3 GLN 127 - QG2 ILE 129 far 0 76 0 - 7.7-8.0 HB2 GLN 68 - QG2 ILE 129 far 0 65 0 - 8.7-10.7 Violated in 16 structures by 0.11 A. Peak 9715 from aliabs.peaks (2.45, 0.82, 16.85 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.74: HG3 GLN 82 + QG2 ILE 80 OK 64 68 95 98 2.2-5.5 11262=77, 2.9/11263=54...(11) HG2 GLN 82 + QG2 ILE 80 OK 29 60 50 98 3.5-6.1 1.8/11262=84...(11) HG3 GLN 127 - QG2 ILE 129 far 0 68 0 - 8.0-9.2 HG2 MET 11 - QG2 ILE 32 far 0 52 0 - 9.7-32.8 HG3 GLN 82 - QG2 ILE 129 far 0 85 0 - 10.0-12.9 Violated in 15 structures by 0.12 A. Peak 9719 from aliabs.peaks (1.06, 0.27, 13.24 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + QD1 ILE 80 OK 100 100 100 100 4.0-4.3 2.1/9649=70, 9648=59...(56) QG2 VAL 133 + QD1 ILE 80 OK 44 89 50 100 3.0-5.6 10588=61, 3.2/9726=44...(31) Violated in 10 structures by 0.22 A. Peak 9720 from aliabs.peaks (1.42, 0.27, 13.24 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.97: HG2 LYS 86 + QD1 ILE 80 OK 97 97 100 100 2.0-3.4 1.8/11225=68...(39) QB ALA 92 - QD1 ILE 80 far 0 100 0 - 6.1-7.2 QB ALA 34 - QD1 ILE 80 far 0 97 0 - 8.2-11.6 HG LEU 96 - QD1 ILE 80 far 0 65 0 - 9.9-11.9 HG3 LYS 19 - QD1 ILE 80 far 0 95 0 - 9.9-30.7 Violated in 0 structures by 0.00 A. Peak 9721 from aliabs.peaks (1.95, 0.27, 13.24 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: HB3 LYS 86 + QD1 ILE 80 OK 100 100 100 100 4.1-5.0 3.0/9727=72, 3.0/9720=65...(37) HB3 ARG 90 - QD1 ILE 80 far 0 100 0 - 6.0-7.2 HB3 PRO 81 - QD1 ILE 80 far 0 100 0 - 6.8-7.7 HB ILE 37 - QD1 ILE 80 far 0 92 0 - 7.5-9.1 Violated in 18 structures by 0.34 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 3.3-4.5 2.1/11738=92...(19) HB3 GLN 134 - QD1 ILE 80 far 0 85 0 - 7.8-9.3 Violated in 1 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 3.3-4.4 1.8/11222=77...(20) HB2 CYS 73 - QD1 ILE 80 poor 12 57 35 59 4.7-6.5 3.0/9571=21, 9573=11...(11) HB3 ASP 78 - QD1 ILE 80 far 0 92 0 - 6.6-7.3 Violated in 1 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 1.9-3.1 2.7/9747=52, 3.5/9869=30...(29) HB3 PHE 89 + QD1 ILE 80 OK 87 89 100 98 2.2-3.0 2.7/9747=52, 3.5/9869=30...(26) HB3 CYS 73 - QD1 ILE 80 far 0 96 0 - 4.9-7.2 HB3 TYR 72 - QD1 ILE 80 far 0 85 0 - 7.3-8.9 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 1.7-2.2 9643=62, 2401/9649=48...(33) HA ILE 129 - QD1 ILE 80 far 0 95 0 - 5.2-6.6 HA LEU 42 - QD1 ILE 80 far 0 63 0 - 7.7-9.4 HA VAL 126 - QD1 ILE 80 far 0 99 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 9726 from aliabs.peaks (3.78, 0.27, 13.24 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.93: HA VAL 133 + QD1 ILE 80 OK 93 93 100 99 3.1-4.3 3.2/10588=55...(21) HA ARG 90 - QD1 ILE 80 far 0 89 0 - 5.4-6.2 HA SER 130 - QD1 ILE 80 far 0 98 0 - 6.0-7.5 HA LEU 43 - QD1 ILE 80 far 0 100 0 - 8.1-9.6 HB3 SER 130 - QD1 ILE 80 far 0 97 0 - 8.3-9.7 Violated in 9 structures by 0.09 A. Peak 9727 from aliabs.peaks (3.89, 0.27, 13.24 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: HA LYS 86 + QD1 ILE 80 OK 100 100 100 100 2.0-2.6 9820=72, 11193/9649=48...(39) HA3 GLY 75 - QD1 ILE 80 far 0 99 0 - 7.2-8.4 HA LEU 70 - QD1 ILE 80 far 0 99 0 - 8.2-9.6 HB2 SER 94 - QD1 ILE 80 far 0 96 0 - 9.1-10.1 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 3 assignments used, quality = 0.97: HA VAL 77 + HG12 ILE 80 OK 97 97 100 100 2.8-4.5 9725/2.1=100, ~9649=65...(33) HA ILE 129 - HG12 ILE 80 far 0 93 0 - 7.8-9.6 HA LEU 42 - HG12 ILE 80 far 0 60 0 - 9.5-11.6 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 3.0-4.0 9727/3.2=83...(32) HA3 GLY 75 - HB ILE 80 far 0 99 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 9730 from aliabs.peaks (3.45, 1.74, 38.30 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 77 + HB ILE 80 OK 100 100 100 100 2.6-3.5 9643/3.2=95...(35) HA ILE 129 - HB ILE 80 far 0 100 0 - 9.0-10.7 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 10 assignments used, quality = 0.88: HA PRO 81 + QG2 ILE 80 OK 79 81 100 98 3.7-4.2 3.6/9742=58...(14) HA CYS 73 + QG2 ILE 129 OK 42 47 100 90 3.4-4.7 3.0/11144=27, 11142=24...(23) HA LEU 69 - QG2 ILE 129 far 13 88 15 - 4.4-7.4 HA CYS 125 - QG2 ILE 129 far 0 84 0 - 6.4-7.5 HA GLN 134 - QG2 ILE 80 far 0 100 0 - 6.9-8.8 HA GLN 134 - QG2 ILE 129 far 0 86 0 - 7.1-9.1 HA CYS 73 - QG2 ILE 80 far 0 60 0 - 7.8-8.5 HA ASP 47 - QG2 ILE 129 far 0 81 0 - 8.2-9.1 HA2 GLY 75 - QG2 ILE 129 far 0 60 0 - 8.6-9.5 HA2 GLY 75 - QG2 ILE 80 far 0 76 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 9736 from aliabs.peaks (4.32, 0.27, 13.24 ppm; 4.56 A): 1 out of 5 assignments used, quality = 0.93: HA TYR 76 + QD1 ILE 80 OK 93 93 100 100 4.7-5.4 4.7/9746=56, 3.1/9746=40...(21) HA PRO 81 - QD1 ILE 80 far 0 99 0 - 6.3-6.7 HA2 GLY 75 - QD1 ILE 80 far 0 100 0 - 6.9-7.9 HA ASP 131 - QD1 ILE 80 far 0 95 0 - 7.8-8.9 HA LEU 69 - QD1 ILE 80 far 0 65 0 - 8.7-10.7 Violated in 20 structures by 0.49 A. Peak 9737 from aliabs.peaks (6.47, 4.12, 58.62 ppm; 5.50 A): 4 out of 4 assignments used, quality = 1.00: QE TYR 76 + HA ILE 80 OK 100 100 100 100 2.0-4.1 9746/2472=90...(13) QD TYR 76 + HA ILE 80 OK 60 60 100 99 3.3-5.0 ~9739=61, ~9704=55...(17) QE TYR 76 + HA CYS 79 OK 30 59 50 100 5.8-7.0 9706/3.0=81, 9704/3.6=72...(13) QD TYR 76 + HA CYS 79 OK 29 29 100 100 5.7-6.3 ~9706=56, 9705/3.0=37...(22) 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 4.0-4.7 9739/2.1=99, 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; 4.03 A): 1 out of 4 assignments used, quality = 0.94: QE TYR 76 + QG2 ILE 80 OK 94 100 95 99 3.7-5.2 9746/3.1=67, 9704/4.0=37...(25) QD TYR 76 - QG2 ILE 129 poor 14 47 30 - 4.5-5.2 QE TYR 76 - QG2 ILE 129 far 13 87 15 - 4.9-5.8 QD TYR 76 - QG2 ILE 80 poor 12 60 20 - 4.6-5.4 Violated in 15 structures by 0.31 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 4.3-5.4 9747/3.1=79...(29) QD PHE 89 + QG2 ILE 129 OK 76 76 100 100 2.5-3.3 2.2/10457=81...(32) 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 7 assignments used, quality = 1.00: H ASN 85 + QG2 ILE 80 OK 98 99 100 100 3.3-3.6 3.6/11237=74...(17) HZ PHE 89 + QG2 ILE 129 OK 77 77 100 99 2.4-3.1 2.2/10457=78, ~10456=39...(21) QD PHE 87 - QG2 ILE 80 far 0 68 0 - 5.8-7.9 HZ PHE 89 - QG2 ILE 80 far 0 93 0 - 6.9-7.7 QE PHE 87 - QG2 ILE 80 far 0 89 0 - 7.1-9.6 H ASN 85 - QG2 ILE 129 far 0 84 0 - 9.0-10.0 QD PHE 87 - QG2 ILE 129 far 0 53 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 9742 from aliabs.peaks (7.55, 0.81, 17.00 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9744 from aliabs.peaks (6.48, 1.21, 27.07 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HG12 ILE 80 OK 100 100 100 100 1.9-2.9 9746/2.1=92, 9739/3.2=71...(14) QD TYR 76 + HG12 ILE 80 OK 81 81 100 100 2.0-4.0 ~9746=65, ~9633=52...(23) 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 4 assignments used, quality = 1.00: QE TYR 76 + HG13 ILE 80 OK 100 100 100 100 1.9-4.4 9746/2.1=96, 9739/3.2=76...(23) QD TYR 76 + HG13 ILE 80 OK 71 71 100 100 2.4-5.2 ~9746=68, ~9633=55...(30) QD TYR 76 - QD2 LEU 49 far 0 36 0 - 9.2-12.5 QE TYR 76 - QD2 LEU 49 far 0 61 0 - 9.7-13.3 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 = 1.00: QE TYR 76 + QD1 ILE 80 OK 97 99 100 98 2.0-2.9 9739/3.1=31...(34) QD TYR 76 + QD1 ILE 80 OK 86 89 100 97 1.9-2.5 11169/9649=29...(35) 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 2.0-2.6 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 3.5-4.2 2.2/9749=82, 3.8/9747=66...(18) HE ARG 90 - QD1 ILE 80 poor 19 97 20 - 4.9-7.2 QD PHE 87 - QD1 ILE 80 far 0 97 0 - 6.5-7.6 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 2.9-3.4 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; 5.05 A): 2 out of 16 assignments used, quality = 0.98: H ASP 131 + QG2 ILE 129 OK 98 98 100 100 4.4-5.3 7891/4143=77...(19) H GLU 30 + QG2 ILE 32 OK 21 47 55 80 5.3-6.3 3.6/10781=27...(9) H LEU 43 - QG2 ILE 129 far 15 99 15 - 5.5-6.7 H LEU 96 - QG2 ILE 129 far 0 99 0 - 6.1-7.6 H VAL 126 - QG2 ILE 129 far 0 100 0 - 6.2-7.1 H ARG 23 - QG2 ILE 32 far 0 40 0 - 6.2-19.2 H LEU 69 - QG2 ILE 129 far 0 89 0 - 6.2-8.6 H LEU 69 - QG2 ILE 32 far 0 44 0 - 6.9-15.5 H LEU 49 - QG2 ILE 129 far 0 85 0 - 8.7-9.7 H GLU 40 - QG2 ILE 129 far 0 99 0 - 8.8-10.2 H ASP 131 - QG2 ILE 80 far 0 83 0 - 9.0-10.6 H LEU 43 - QG2 ILE 80 far 0 86 0 - 9.1-11.3 H GLU 40 - QG2 ILE 80 far 0 86 0 - 9.4-11.2 H LEU 43 - QG2 ILE 32 far 0 54 0 - 9.5-15.0 H LEU 123 - QG2 ILE 129 far 0 93 0 - 9.9-10.9 H SER 99 - QG2 ILE 129 far 0 97 0 - 9.9-11.7 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 2.0-5.1 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): 3 out of 5 assignments used, quality = 1.00: HD3 LYS 86 + HA THR 83 OK 100 100 100 100 2.5-5.1 3.5/2636=66, 3.5/2624=65...(18) HD2 LYS 86 + HA THR 83 OK 100 100 100 100 3.0-5.2 3.5/2636=66, 3.5/2624=65...(19) HG2 ARG 84 + HA THR 83 OK 22 89 25 98 5.1-7.8 ~9758=35, ~9757=34...(19) HG3 ARG 84 - HA THR 83 far 5 93 5 - 5.5-7.8 QB ALA 88 - HA THR 83 far 0 98 0 - 7.2-8.2 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 4 assignments used, quality = 0.72: HD3 LYS 86 + HB THR 83 OK 54 83 65 100 4.7-7.5 3.5/11278=58...(17) HG2 ARG 84 + HB THR 83 OK 39 100 40 99 3.3-7.1 3.0/9758=61, 4.6/7088=59...(9) HG3 ARG 84 - HB THR 83 poor 20 99 20 - 3.9-6.9 HD2 LYS 86 - HB THR 83 far 4 76 5 - 5.4-7.9 Violated in 16 structures by 0.32 A. Peak 9757 from aliabs.peaks (1.80, 4.15, 68.45 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.97: HB2 ARG 84 + HB THR 83 OK 97 97 100 100 4.6-5.6 1.8/9758=84...(14) HB2 LYS 86 - HB THR 83 far 15 100 15 - 4.7-6.8 Violated in 17 structures by 0.32 A. Peak 9758 from aliabs.peaks (1.93, 4.15, 68.45 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.89: HB3 LYS 86 + HB THR 83 OK 71 71 100 100 4.5-5.4 9760/2.1=94, 11278=89...(16) HB3 ARG 84 + HB THR 83 OK 63 63 100 100 4.2-5.4 1.8/9757=82, 3.9/7088=79...(13) HB3 PRO 81 - HB THR 83 far 0 83 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 9759 from aliabs.peaks (1.66, 1.23, 22.04 ppm; 3.72 A): 2 out of 5 assignments used, quality = 0.99: HD2 LYS 86 + QG2 THR 83 OK 93 100 95 98 2.6-5.0 3.5/11312=48...(19) HD3 LYS 86 + QG2 THR 83 OK 93 100 95 98 2.2-4.6 3.5/11312=48...(18) HG2 ARG 84 - QG2 THR 83 far 12 83 15 - 4.4-7.0 HG3 ARG 84 - QG2 THR 83 far 0 89 0 - 5.2-6.9 QB ALA 88 - QG2 THR 83 far 0 99 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 9760 from aliabs.peaks (1.93, 1.23, 22.04 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.71: HB3 LYS 86 + QG2 THR 83 OK 71 71 100 100 2.5-3.2 1.8/11312=82...(18) HB3 ARG 84 - QG2 THR 83 far 9 63 15 - 4.7-5.9 HB2 ARG 90 - QG2 THR 83 far 0 85 0 - 7.2-9.4 HB3 ARG 90 - QG2 THR 83 far 0 85 0 - 7.3-9.5 HB3 PRO 81 - QG2 THR 83 far 0 83 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 9761 from aliabs.peaks (3.21, 1.23, 22.04 ppm; 3.89 A): 1 out of 5 assignments used, quality = 0.40: HB2 PHE 87 + QG2 THR 83 OK 40 90 45 99 3.5-5.4 2.5/9776=78, 9835=49...(12) HB3 PHE 87 - QG2 THR 83 far 0 76 0 - 4.9-6.7 HD3 ARG 84 - QG2 THR 83 far 0 76 0 - 5.1-7.6 HD2 ARG 84 - QG2 THR 83 far 0 76 0 - 5.1-7.8 HD3 ARG 135 - QG2 THR 83 far 0 76 0 - 8.8-13.0 Violated in 19 structures by 0.96 A. Peak 9763 from aliabs.peaks (3.20, 4.15, 68.45 ppm; 6.25 A): 3 out of 3 assignments used, quality = 0.97: HD2 ARG 84 + HB THR 83 OK 72 97 75 100 5.1-7.6 4.0/9758=83, 4.0/9757=81...(8) HD3 ARG 84 + HB THR 83 OK 72 97 75 100 5.4-7.6 4.0/9758=83, 4.0/9757=81...(8) HB2 PHE 87 + HB THR 83 OK 56 63 90 100 5.6-7.3 ~9776=92, ~9776=92...(14) Violated in 0 structures by 0.00 A. Peak 9764 from aliabs.peaks (2.75, 4.15, 68.45 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9765 from aliabs.peaks (4.58, 4.15, 68.45 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.97: HA GLN 82 + HB THR 83 OK 97 97 100 100 4.6-5.0 3.6/9772=94, 9769/2.1=94...(6) 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 2 assignments used, quality = 0.95: HE3 LYS 86 + HA THR 83 OK 95 95 100 100 2.0-5.8 2706/2636=89...(12) HD2 ARG 135 - HA THR 83 far 0 90 0 - 9.2-13.2 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 1.9-6.0 3.7/11342=92...(13) Violated in 0 structures by 0.00 A. Peak 9769 from aliabs.peaks (4.57, 1.23, 22.04 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.88: HA GLN 82 + QG2 THR 83 OK 88 89 100 99 5.4-5.5 9765/2.1=79, 3.6/9775=75...(5) Violated in 20 structures by 0.57 A. Peak 9775 from aliabs.peaks (8.87, 1.23, 22.04 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9776 from aliabs.peaks (7.31, 1.23, 22.04 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.87: QD PHE 87 + QG2 THR 83 OK 87 99 100 87 2.1-3.8 9837=46, 2.5/9761=43...(12) H ASN 85 - QG2 THR 83 far 0 65 0 - 4.6-5.0 HE ARG 90 - QG2 THR 83 far 0 63 0 - 5.5-10.5 Violated in 18 structures by 0.30 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 3.6-4.2 2520/2.8=79...(18) HG12 ILE 80 - HA ARG 84 far 0 73 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 9784 from aliabs.peaks (0.89, 4.25, 58.88 ppm; 4.10 A): 0 out of 0 assignments used, quality = 0.00: Peak 9788 from aliabs.peaks (1.66, 2.69, 37.45 ppm; 4.84 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 88 + HB2 ASN 85 OK 99 99 100 100 4.1-5.7 9853=99, 2750/3.0=90...(11) HG3 ARG 84 + HB2 ASN 85 OK 25 89 35 82 4.4-8.0 ~11320=25, 2595/3.0=15...(19) HG2 ARG 84 - HB2 ASN 85 far 8 83 10 - 3.9-8.2 HD2 LYS 86 - HB2 ASN 85 far 0 100 0 - 6.3-8.5 HD3 LYS 86 - HB2 ASN 85 far 0 100 0 - 6.4-8.9 HG LEU 43 - HB2 ASN 85 far 0 93 0 - 9.5-12.4 HD2 LYS 39 - HB2 ASN 85 far 0 78 0 - 9.9-12.3 Violated in 9 structures by 0.09 A. Peak 9789 from aliabs.peaks (2.07, 2.69, 37.45 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.89: HB3 GLN 82 + HB2 ASN 85 OK 81 81 100 100 2.6-5.7 9805/3.5=64, ~11464=57...(19) HG3 PRO 81 + HB2 ASN 85 OK 46 85 75 72 3.8-7.3 11282/11237=21...(9) HB2 PRO 81 - HB2 ASN 85 far 0 83 0 - 6.6-9.9 HG3 GLN 134 - HB2 ASN 85 far 0 99 0 - 7.1-11.7 HB3 LYS 39 - HB2 ASN 85 far 0 97 0 - 9.1-11.6 HG3 GLU 91 - HB2 ASN 85 far 0 76 0 - 9.8-12.0 Violated in 1 structures by 0.03 A. Peak 9790 from aliabs.peaks (1.13, 2.69, 37.45 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HB2 ASN 85 OK 100 100 100 100 1.8-3.9 10535=87, 11743/1.8=65...(24) QG2 VAL 132 + HB2 ASN 85 OK 35 99 35 100 4.2-6.5 2.1/10535=65, ~11746=53...(22) HG2 LYS 39 - HB2 ASN 85 far 0 100 0 - 7.9-10.7 HG3 LYS 39 - HB2 ASN 85 far 0 63 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 9791 from aliabs.peaks (0.81, 2.69, 37.45 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HB2 ASN 85 OK 100 100 100 100 1.9-4.2 11237=99, 11236/1.8=91...(24) HG13 ILE 80 + HB2 ASN 85 OK 80 100 80 100 2.3-6.4 3.2/11237=69, ~11222=44...(21) QG1 VAL 133 - HB2 ASN 85 far 10 68 15 - 4.7-7.8 QG2 ILE 129 - HB2 ASN 85 far 0 97 0 - 6.2-8.6 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 = 1.00: QG2 ILE 80 + HB3 ASN 85 OK 99 99 100 100 1.9-3.9 11236=95, 11237/1.8=89...(20) HG13 ILE 80 + HB3 ASN 85 OK 85 100 85 100 2.1-5.6 3.2/11236=66...(19) QD2 LEU 119 - HB2 ASN 120 far 6 57 10 - 2.9-7.4 QD2 LEU 119 - HB3 ASN 120 far 5 50 10 - 2.6-7.4 QD1 LEU 53 - HB2 ASN 120 far 3 63 5 - 4.8-7.8 QD1 LEU 53 - HB3 ASN 120 far 0 56 0 - 5.1-7.5 QD1 LEU 122 - HB3 ASN 120 far 0 65 0 - 5.4-9.2 QD1 LEU 122 - HB2 ASN 120 far 0 73 0 - 5.5-8.9 QD1 LEU 103 - HB3 ASN 120 far 0 37 0 - 6.1-10.5 QD2 LEU 122 - HB3 ASN 120 far 0 45 0 - 6.1-8.8 QG2 ILE 129 - HB3 ASN 85 far 0 89 0 - 6.2-7.9 QD2 LEU 122 - HB2 ASN 120 far 0 52 0 - 6.6-8.8 QD1 LEU 103 - HB2 ASN 120 far 0 42 0 - 6.9-11.2 QD2 LEU 49 - HB3 ASN 120 far 0 60 0 - 8.4-11.4 QD2 LEU 49 - HB2 ASN 120 far 0 68 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 9794 from aliabs.peaks (1.14, 2.82, 37.45 ppm; 4.58 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 132 + HB3 ASN 85 OK 99 99 100 100 1.8-3.4 10535/1.8=90, 11743=72...(22) QG2 VAL 132 + HB3 ASN 85 OK 65 100 65 100 4.4-5.9 2.1/11743=63, ~10535=63...(23) QG2 THR 115 - HB3 ASN 120 far 0 63 0 - 7.1-10.2 HG2 LYS 39 - HB3 ASN 85 far 0 100 0 - 7.5-11.3 QG2 THR 115 - HB2 ASN 120 far 0 70 0 - 8.1-10.3 HG3 LYS 39 - HB3 ASN 85 far 0 68 0 - 8.2-11.1 HB3 LEU 62 - HB2 ASN 120 far 0 70 0 - 9.3-11.5 HB3 LEU 62 - HB3 ASN 120 far 0 62 0 - 9.4-11.2 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 2.0-3.0 11193=94, 9663/3.0=70...(26) Violated in 0 structures by 0.00 A. Peak 9819 from aliabs.peaks (0.81, 3.89, 60.61 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HA LYS 86 OK 99 99 100 100 2.3-3.7 3.1/9727=63, 9821/3.0=56...(34) HG13 ILE 80 + HA LYS 86 OK 85 100 85 100 2.4-5.0 2.1/9727=79, 3.0/9729=44...(37) QG2 ILE 129 - HA LYS 86 far 0 90 0 - 6.3-7.2 QD1 LEU 70 - HA LYS 86 far 0 100 0 - 10.0-13.7 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 2.0-2.6 9727=100, 9649/11193=60...(39) QG2 VAL 93 - HA LYS 86 far 0 76 0 - 6.2-7.1 Violated in 0 structures by 0.00 A. Peak 9821 from aliabs.peaks (0.81, 1.79, 32.49 ppm; 4.09 A): 1 out of 4 assignments used, quality = 0.93: QG2 ILE 80 + HB2 LYS 86 OK 93 97 95 100 2.0-5.0 11240/1.8=50...(46) HG13 ILE 80 - HB2 LYS 86 far 15 99 15 - 3.6-7.2 QG2 ILE 129 - HB2 LYS 86 far 0 85 0 - 8.2-9.3 QD1 LEU 70 - HB3 LYS 19 far 0 79 0 - 9.9-26.3 Violated in 15 structures by 0.25 A. Peak 9822 from aliabs.peaks (0.27, 1.79, 32.49 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB2 LYS 86 OK 100 100 100 100 3.7-4.5 9721/1.8=92, 9727/3.0=87...(41) QG2 VAL 93 - HB2 LYS 86 far 0 76 0 - 7.5-9.3 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 3.4-4.3 9663/1.8=96...(32) QG2 THR 25 - HB2 PRO 58 far 0 59 0 - 5.8-36.4 HG12 ILE 80 - HB3 PRO 81 far 0 71 0 - 5.8-8.1 HG12 ILE 80 - HB3 LYS 86 far 0 76 0 - 5.9-7.3 HG3 LYS 39 - HB3 PRO 81 far 0 61 0 - 6.6-13.8 QG2 VAL 77 - HB3 PRO 81 far 0 98 0 - 9.0-9.7 Violated in 1 structures by 0.00 A. Peak 9824 from aliabs.peaks (1.17, 1.79, 32.49 ppm; 3.80 A): 2 out of 9 assignments used, quality = 0.91: QG2 VAL 77 + HB2 LYS 86 OK 87 87 100 100 2.1-4.0 9818/3.0=52...(29) QG2 THR 18 + HB3 LYS 19 OK 34 81 45 92 4.4-6.9 10696/3.9=51...(17) QG2 THR 18 - HB3 LYS 31 far 3 60 5 - 4.6-18.5 HG12 ILE 32 - HB3 LYS 19 far 0 71 0 - 4.9-18.7 HG12 ILE 32 - HB3 LYS 31 far 0 51 0 - 5.2-6.7 QG2 THR 25 - HB3 LYS 31 far 0 57 0 - 6.4-13.7 QG2 THR 25 - HB3 LYS 19 far 0 77 0 - 6.6-13.5 QG2 VAL 132 - HB2 LYS 86 far 0 63 0 - 7.7-8.1 QG2 VAL 77 - HB3 LYS 19 far 0 65 0 - 9.8-28.9 Violated in 1 structures by 0.01 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 4.1-5.0 9721=98, 9727/3.0=86...(37) QD1 ILE 80 - HB3 PRO 81 far 0 96 0 - 6.8-7.7 QG2 VAL 93 - HB3 LYS 95 far 0 29 0 - 7.2-7.7 QG2 VAL 93 - HB3 LYS 86 far 0 90 0 - 8.6-9.4 Violated in 1 structures by 0.01 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 2.0-3.4 9720=86, 11225/1.8=84...(41) QG2 VAL 93 - HG2 LYS 86 far 0 99 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 9827 from aliabs.peaks (0.27, 1.48, 25.19 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HG3 LYS 86 OK 100 100 100 100 2.9-4.7 9720/1.8=94, 11225=83...(37) QG2 VAL 93 - HG3 LYS 86 far 0 83 0 - 7.7-9.2 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 3 assignments used, quality = 0.00: QG2 VAL 93 - HD3 LYS 95 far 0 97 0 - 6.4-8.0 QG2 VAL 93 - HD2 LYS 95 far 0 99 0 - 6.4-8.2 QG2 VAL 93 - HD3 LYS 19 far 0 69 0 - 9.4-30.6 Violated in 20 structures by 0.93 A. Peak 9833 from aliabs.peaks (1.93, 3.23, 38.11 ppm; 4.76 A): 1 out of 6 assignments used, quality = 0.78: HB3 LYS 86 + HB2 PHE 87 OK 78 78 100 100 4.0-4.9 1.8/11348=81...(15) HB3 LYS 86 - HB3 PHE 87 poor 14 72 20 - 5.4-6.3 HB2 ARG 90 - HB3 PHE 87 far 0 72 0 - 5.8-8.0 HB3 ARG 90 - HB3 PHE 87 far 0 85 0 - 5.8-8.1 HB2 ARG 90 - HB2 PHE 87 far 0 78 0 - 6.1-8.6 HB3 ARG 90 - HB2 PHE 87 far 0 90 0 - 6.1-8.6 Violated in 2 structures by 0.01 A. Peak 9834 from aliabs.peaks (1.65, 3.23, 38.11 ppm; 4.44 A): 3 out of 10 assignments used, quality = 0.99: QB ALA 88 + HB2 PHE 87 OK 93 93 100 100 4.0-5.0 7185/4.5=58, 11294=39...(21) QB ALA 88 + HB3 PHE 87 OK 88 88 100 100 3.7-4.2 7185/4.5=58, 11294=38...(22) HG3 ARG 84 + HB2 PHE 87 OK 21 98 40 54 3.8-7.5 3.9/2532=28...(8) HG2 ARG 84 - HB2 PHE 87 poor 13 96 25 54 4.9-6.8 3.9/2532=28...(9) HG3 ARG 84 - HB3 PHE 87 far 9 94 10 - 5.1-9.2 HG2 ARG 84 - HB3 PHE 87 far 0 90 0 - 5.9-8.2 HD2 LYS 86 - HB2 PHE 87 far 0 99 0 - 6.4-8.6 HD3 LYS 86 - HB2 PHE 87 far 0 100 0 - 6.5-8.2 HD2 LYS 86 - HB3 PHE 87 far 0 95 0 - 7.8-9.8 HD3 LYS 86 - HB3 PHE 87 far 0 96 0 - 7.9-9.5 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 3 assignments used, quality = 1.00: QG2 THR 83 + HB2 PHE 87 OK 100 100 100 100 3.5-5.4 9776/2.5=95, 9761=85...(11) QG2 THR 83 - HB3 PHE 87 far 10 97 10 - 4.9-6.7 HG12 ILE 80 - HB2 PHE 87 far 0 83 0 - 9.1-10.2 Violated in 13 structures by 0.29 A. Peak 9836 from aliabs.peaks (1.65, 7.32, 131.40 ppm; 5.06 A): 2 out of 7 assignments used, quality = 0.97: QB ALA 88 + QD PHE 87 OK 93 93 100 100 4.4-5.4 3.0/7181=71, 2.1/9849=66...(18) HD3 LYS 86 + QD PHE 87 OK 54 100 60 91 5.1-7.6 9759/9776=46...(6) HD2 LYS 86 - QD PHE 87 far 15 99 15 - 5.2-8.6 HG2 ARG 84 - QD PHE 87 poor 14 96 25 57 5.3-7.8 3.9/5522=26...(10) HG3 ARG 84 - QD PHE 87 poor 13 98 25 54 4.9-8.2 3.9/5522=26...(8) HD2 LYS 95 - QD PHE 87 far 0 100 0 - 8.7-11.7 HD3 LYS 95 - QD PHE 87 far 0 97 0 - 8.8-11.6 Violated in 4 structures by 0.01 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 2.1-3.8 9776=98, 9761/2.5=69...(15) HG12 ILE 80 - QD PHE 87 far 0 90 0 - 9.1-10.8 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: QG1 VAL 133 - QD PHE 87 far 0 78 0 - 9.3-11.4 Violated in 20 structures by 5.08 A. Peak 9839 from aliabs.peaks (1.96, 7.32, 131.40 ppm; 5.49 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 86 + QD PHE 87 OK 100 100 100 100 3.3-5.6 7157/4.2=79, 9833/2.5=68...(11) HB3 ARG 90 + QD PHE 87 OK 28 99 35 81 5.4-7.6 2804/3.7=62...(4) HB2 LYS 95 - QD PHE 87 far 0 78 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 9840 from aliabs.peaks (2.28, 7.32, 131.40 ppm; 6.24 A): 0 out of 1 assignment used, quality = 0.00: HB VAL 132 - QD PHE 87 far 0 100 0 - 8.9-9.9 Violated in 20 structures by 3.22 A. Peak 9841 from aliabs.peaks (1.64, 4.27, 61.07 ppm; 5.80 A): 2 out of 19 assignments used, quality = 0.96: QB ALA 88 + HA PHE 87 OK 87 87 100 100 5.0-5.0 7185/3.6=86, ~7170=65...(17) HD3 LYS 86 + HA PHE 87 OK 69 99 70 100 6.2-7.8 3.5/2724=66...(14) HD3 LYS 24 - HA THR 25 poor 19 27 70 - 3.4-7.5 HD2 LYS 26 - HA THR 25 poor 19 24 85 92 3.0-7.4 ~10691=44, 6255/3.6=39...(14) HD3 LYS 26 - HA THR 25 poor 19 22 85 - 4.3-7.0 HD2 LYS 86 - HA PHE 87 far 14 97 15 - 6.1-7.9 HD2 LYS 24 - HA THR 25 far 3 23 15 - 5.2-8.2 HD3 LYS 19 - HA SER 74 far 2 44 5 - 5.6-34.0 HG3 ARG 84 - HA PHE 87 far 0 100 0 - 6.8-9.9 HD2 LYS 31 - HA THR 25 far 0 27 0 - 6.8-18.4 HD2 LYS 19 - HA SER 74 far 0 43 0 - 7.0-33.1 HD3 LYS 31 - HA THR 25 far 0 25 0 - 7.5-18.2 HG2 ARG 84 - HA PHE 87 far 0 99 0 - 7.8-9.4 HD2 LYS 86 - HA SER 74 far 0 40 0 - 8.2-11.3 HB2 LEU 69 - HA SER 74 far 0 43 0 - 8.3-11.1 HD3 LYS 86 - HA SER 74 far 0 42 0 - 9.3-11.8 HD3 LYS 95 - HA PHE 87 far 0 93 0 - 9.5-11.6 HD2 LYS 95 - HA PHE 87 far 0 98 0 - 9.6-11.9 HD2 LYS 36 - HA THR 25 far 0 22 0 - 9.7-20.9 Violated in 0 structures by 0.00 A. Peak 9842 from aliabs.peaks (0.86, 4.27, 61.07 ppm; 5.33 A): 0 out of 8 assignments used, quality = 0.00: QG2 ILE 32 - HA THR 25 poor 4 22 20 - 3.3-14.4 QD2 LEU 22 - HA THR 25 far 2 23 10 - 2.8-9.9 QD2 LEU 70 - HA SER 74 far 2 44 5 - 5.4-8.5 QG1 VAL 133 - HA SER 74 far 0 33 0 - 8.1-11.1 QD2 LEU 69 - HA SER 74 far 0 41 0 - 8.2-10.5 QG1 VAL 133 - HA PHE 87 far 0 87 0 - 8.8-11.3 QG2 VAL 57 - HA THR 25 far 0 29 0 - 9.3-37.2 QD1 LEU 98 - HA SER 74 far 0 44 0 - 9.3-13.7 Violated in 14 structures by 0.46 A. Peak 9847 from aliabs.peaks (7.29, 1.66, 18.14 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.98: H ASN 85 + QB ALA 88 OK 94 99 95 100 4.8-5.9 2.9/2750=93, 3.6/9853=67...(14) QD PHE 87 + QB ALA 88 OK 68 68 100 99 4.4-5.4 7181/7185=47...(18) QE PHE 87 - QB ALA 88 far 0 89 0 - 6.1-7.2 HZ PHE 89 - QB ALA 88 far 0 93 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9848 from aliabs.peaks (6.65, 1.66, 18.14 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9849 from aliabs.peaks (7.31, 4.20, 54.66 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 87 + HA ALA 88 OK 100 100 100 100 3.5-5.6 7181/2.9=83...(16) HE ARG 90 - HA ALA 88 far 4 76 5 - 6.3-10.0 Violated in 1 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 4.2-5.1 4.7=100 HB3 CYS 73 - QB ALA 88 far 0 81 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 9853 from aliabs.peaks (2.69, 1.66, 18.14 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.50: HB2 ASN 85 + QB ALA 88 OK 50 100 50 99 4.1-5.7 3.0/2750=82, 9788=58...(11) Violated in 17 structures by 0.69 A. Peak 9854 from aliabs.peaks (2.22, 1.66, 18.14 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.97: HG2 GLU 91 + QB ALA 88 OK 97 97 100 100 3.0-3.7 9916/2.1=80, 3.0/9865=78...(23) HB3 GLU 128 - QB ALA 88 far 15 97 15 - 5.1-7.3 HB2 GLN 82 - QB ALA 88 far 0 93 0 - 6.8-8.1 HB3 LEU 96 - QB ALA 88 far 0 81 0 - 8.5-10.5 HB3 GLN 127 - QB ALA 88 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9855 from aliabs.peaks (2.32, 1.66, 18.14 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.21: HG2 GLU 128 + QB ALA 88 OK 21 81 65 40 4.2-7.3 11399/11318=28...(3) HB VAL 77 - QB ALA 88 far 0 83 0 - 7.3-9.4 HB3 GLN 134 - QB ALA 88 far 0 98 0 - 8.2-10.5 Violated in 12 structures by 0.64 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 10 100 10 - 5.1-6.4 HE3 LYS 95 - QB ALA 88 far 0 99 0 - 7.1-9.4 HE2 LYS 95 - QB ALA 88 far 0 98 0 - 7.3-9.7 Violated in 20 structures by 1.00 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 3.8-4.7 3.0/11528=69...(12) 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 2 assignments used, quality = 0.00: HD2 PRO 81 - QB ALA 88 far 0 96 0 - 7.8-10.5 HB2 SER 130 - QB ALA 88 far 0 81 0 - 9.7-10.5 Violated in 20 structures by 2.64 A. Peak 9859 from aliabs.peaks (3.21, 4.20, 54.66 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.94: HB2 PHE 87 + HA ALA 88 OK 83 83 100 100 4.7-5.5 2.5/9849=66, ~7181=47...(21) HB3 PHE 87 + HA ALA 88 OK 65 65 100 100 3.8-4.0 2.5/9849=66, ~7181=47...(22) HD3 ARG 84 - HA ALA 88 far 0 85 0 - 6.3-11.7 HD2 ARG 84 - HA ALA 88 far 0 85 0 - 6.3-11.5 HD3 ARG 135 - HA ALA 88 far 0 65 0 - 6.4-10.6 HB3 CYS 125 - HA ALA 88 far 0 99 0 - 9.5-13.0 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 3.7-4.6 10533/2.1=64, ~11528=52...(22) QG2 VAL 132 + HA ALA 88 OK 92 92 100 100 3.7-4.6 ~11528=52, 9861/2.1=47...(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 97 100 100 97 1.8-2.3 10533=55, 2.1/11528=25...(25) QG2 VAL 132 + QB ALA 88 OK 95 99 100 96 1.9-2.7 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 5 assignments used, quality = 0.00: QG2 ILE 129 - QB ALA 88 far 0 97 0 - 5.4-6.6 QG2 ILE 80 - QB ALA 88 far 0 100 0 - 5.5-6.5 QG1 VAL 133 - QB ALA 88 far 0 71 0 - 5.6-8.1 HG13 ILE 80 - QB ALA 88 far 0 100 0 - 5.7-8.5 QD1 LEU 70 - QB ALA 88 far 0 100 0 - 9.7-12.6 Violated in 20 structures by 0.89 A. Peak 9863 from aliabs.peaks (0.29, 1.66, 18.14 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.52: QD1 ILE 80 + QB ALA 88 OK 52 57 95 96 5.0-6.1 9869/7195=60...(17) QG2 VAL 93 - QB ALA 88 far 5 99 5 - 5.9-6.8 Violated in 18 structures by 0.40 A. Peak 9865 from aliabs.peaks (2.02, 1.66, 18.14 ppm; 3.85 A): 1 out of 9 assignments used, quality = 0.71: HB2 GLU 91 + QB ALA 88 OK 71 71 100 100 3.8-4.7 ~2868=46, 3.0/9854=44...(24) HG3 ARG 135 - QB ALA 88 poor 19 95 20 - 4.0-6.1 HB3 GLU 91 - QB ALA 88 far 5 95 5 - 3.6-5.4 HG2 ARG 90 - QB ALA 88 far 0 100 0 - 6.2-7.1 HB ILE 129 - QB ALA 88 far 0 89 0 - 7.3-8.6 HG2 PRO 81 - QB ALA 88 far 0 95 0 - 7.9-11.6 HG3 PRO 81 - QB ALA 88 far 0 57 0 - 8.1-10.3 HB2 GLN 134 - QB ALA 88 far 0 100 0 - 8.4-10.5 HB2 GLN 127 - QB ALA 88 far 0 60 0 - 9.5-11.3 Violated in 19 structures by 0.48 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 2.1-3.2 9947/2897=62...(35) QG1 VAL 132 + HA PHE 89 OK 96 96 100 100 2.4-3.7 10539=59, 2.1/11377=48...(36) 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 3.9-4.6 9747/3.1=89, 9869/2.9=77...(26) QG2 VAL 93 + HA PHE 89 OK 83 83 100 100 3.4-4.3 9945/2897=65...(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 3.5-5.0 2.1/10537=59, ~11650=42...(26) QG1 VAL 132 + HB2 PHE 89 OK 97 97 100 100 1.9-3.8 10537=64, 10546/2.7=52...(30) HG2 LYS 39 - HB2 PHE 89 far 0 100 0 - 9.2-11.6 HG3 LYS 39 - HB2 PHE 89 far 0 78 0 - 9.3-11.7 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 1.9-3.1 9747/2.7=85, 9749/4.5=55...(30) QG2 VAL 93 + HB2 PHE 89 OK 58 63 100 92 4.4-5.4 9924/2.7=39, 9954/3.0=38...(14) 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 4 assignments used, quality = 1.00: QG2 VAL 132 + HB3 PHE 89 OK 95 100 95 100 3.3-5.4 ~10537=45, ~11650=42...(26) QG1 VAL 132 + HB3 PHE 89 OK 93 93 100 100 2.0-4.5 10537/1.8=59...(30) HG3 LYS 39 - HB3 PHE 89 far 0 85 0 - 8.9-12.9 HG2 LYS 39 - HB3 PHE 89 far 0 99 0 - 9.5-12.6 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 2.2-3.0 9747/2.7=86, 9869/3.5=61...(28) QG2 VAL 93 + HB3 PHE 89 OK 83 85 100 98 4.2-5.6 9924/2.7=61, 9954/3.0=59...(13) 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 1.9-3.5 2.1/9677=100...(27) HG2 GLU 128 + QD PHE 89 OK 41 65 65 97 5.7-8.8 9855/11290=68...(6) HB3 GLN 134 - QD PHE 89 far 0 92 0 - 7.7-9.2 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 5 assignments used, quality = 0.94: QG2 VAL 77 + QD PHE 89 OK 78 78 100 100 1.9-3.4 2.1/9672=84, 2.1/9674=74...(30) QG2 VAL 132 + QD PHE 89 OK 73 73 100 100 3.0-4.2 2.1/11650=77...(37) HG3 LYS 39 - QD PHE 89 far 0 100 0 - 7.1-9.5 HG2 LYS 39 - QD PHE 89 far 0 60 0 - 7.3-9.2 QB ALA 41 - QD PHE 89 far 0 96 0 - 9.3-10.2 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 1.9-5.5 10554=98, 10552/2.2=94...(20) QG1 VAL 77 + QD PHE 89 OK 97 97 100 100 3.5-4.7 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 4.0-4.7 2.1/9747=98, ~9749=81...(28) QG2 ILE 80 + QD PHE 89 OK 100 100 100 100 4.3-5.4 3.1/9747=94, ~9749=69...(28) QG2 ILE 129 + QD PHE 89 OK 93 93 100 100 2.5-3.3 10457/2.2=90...(34) QG1 VAL 133 + QD PHE 89 OK 60 60 100 100 1.9-4.8 2.1/10554=98, ~10552=88...(21) QD1 LEU 70 - QD PHE 89 lone 4 100 25 16 6.6-9.7 9497/5535=10, 11405/9924=4 QD2 LEU 49 - QD PHE 89 far 0 95 0 - 9.4-12.0 QD2 LEU 122 - QD PHE 89 far 0 73 0 - 9.5-12.9 QD1 LEU 122 - QD PHE 89 far 0 100 0 - 9.7-12.7 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 2.0-2.6 9747=94, 9749/2.2=84...(32) QG2 VAL 93 + QD PHE 89 OK 95 95 100 100 2.4-3.5 9924=91, 11424/2.2=85...(26) 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 3.9-4.2 3.0/9897=97, 4.0/2792=94...(15) H ALA 88 + HA ARG 90 OK 69 73 100 94 7.1-7.4 ~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 2.8-4.5 7213/2.9=94...(15) Violated in 0 structures by 0.00 A. Peak 9887 from aliabs.peaks (7.34, 1.74, 27.95 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.1-3.6 4.0=100 QD PHE 87 - HG3 ARG 90 far 8 81 10 - 4.7-8.5 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 1.9-4.9 9677/11303=83...(10) 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 4 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.7-2.9 2.9=100 QD PHE 87 - HD2 ARG 90 far 4 80 5 - 4.0-8.8 QD PHE 87 - HD3 ARG 90 far 0 81 0 - 5.4-8.8 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 6 assignments used, quality = 0.89: QB ALA 92 + HA ARG 90 OK 89 89 100 100 4.8-5.1 3.7/2792=69, 3.0/9884=68...(17) HG2 LYS 95 - HA ARG 90 far 0 73 0 - 6.6-10.0 HG2 LYS 86 - HA ARG 90 far 0 100 0 - 7.1-7.8 HG LEU 96 - HA ARG 90 far 0 92 0 - 7.2-8.5 HG3 LYS 95 - HA ARG 90 far 0 65 0 - 8.0-9.9 QB ALA 16 - HA ARG 90 far 0 81 0 - 9.6-35.2 Violated in 4 structures by 0.01 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 3.3-4.5 2.1/11185=88...(16) QG2 VAL 132 - HA ARG 90 poor 20 63 35 90 6.0-7.0 11737/10467=27...(12) 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 3 assignments used, quality = 0.60: QG1 VAL 93 + HA ARG 90 OK 60 60 100 100 3.2-3.6 2.1/9953=81, 2.1/2793=78...(12) QD1 LEU 96 - HA ARG 90 far 0 99 0 - 7.8-8.8 QD2 LEU 122 - HA ARG 90 far 0 99 0 - 9.6-12.7 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 2.3-3.4 9953=100, 2.1/2793=72...(18) QD1 ILE 80 - HA ARG 90 far 0 85 0 - 5.4-6.2 Violated in 0 structures by 0.00 A. Peak 9906 from aliabs.peaks (2.87, 2.09, 35.29 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.92: HE2 LYS 95 + HG3 GLU 91 OK 73 100 80 92 3.2-6.3 ~9908=59, ~9908=30...(9) HE3 LYS 95 + HG3 GLU 91 OK 72 100 75 95 3.3-5.8 9908/1.8=81...(9) HB3 ASP 131 - HG3 GLU 91 far 0 99 0 - 8.3-10.3 Violated in 1 structures by 0.04 A. Peak 9908 from aliabs.peaks (2.86, 2.21, 35.29 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.26: HE3 LYS 95 + HG2 GLU 91 OK 26 100 30 85 4.9-7.2 9906/1.8=37, ~9906=28...(8) HE2 LYS 95 - HG2 GLU 91 far 15 99 15 - 4.7-7.8 HB3 ASP 131 - HG2 GLU 91 far 0 100 0 - 7.8-9.5 Violated in 20 structures by 1.54 A. Peak 9910 from aliabs.peaks (1.64, 2.09, 35.29 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.90: QB ALA 88 + HG3 GLU 91 OK 87 87 100 100 4.2-4.7 2.1/9915=66, 9865/3.0=52...(21) HD2 LYS 95 + HG3 GLU 91 OK 25 98 30 85 4.0-6.9 ~9908=38, 3.0/9906=27...(9) HD3 LYS 95 - HG3 GLU 91 poor 20 93 25 85 3.7-6.7 ~9908=38, 3.0/9906=27...(9) HB2 LEU 98 - HG3 GLU 91 far 0 100 0 - 10.0-13.2 Violated in 16 structures by 0.19 A. Peak 9911 from aliabs.peaks (1.40, 2.09, 35.29 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.76: QB ALA 92 + HG3 GLU 91 OK 60 60 100 100 2.9-3.6 9914/1.8=84, 3.0/7255=72...(21) HG2 LYS 95 + HG3 GLU 91 OK 40 96 55 76 4.5-6.8 3.7/9906=30, 3.7/9906=29...(7) HG3 LYS 95 - HG3 GLU 91 far 9 92 10 - 4.7-7.2 HB2 LEU 96 - HG3 GLU 91 far 0 83 0 - 8.0-10.2 HG LEU 96 - HG3 GLU 91 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9912 from aliabs.peaks (0.87, 2.09, 35.29 ppm; 4.36 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 98 - HG3 GLU 91 far 0 96 0 - 7.5-9.4 QD1 LEU 98 - HG3 GLU 91 far 0 97 0 - 8.5-11.0 QD2 LEU 70 - HG3 GLU 91 far 0 95 0 - 9.7-11.2 Violated in 20 structures by 3.27 A. Peak 9913 from aliabs.peaks (0.87, 2.21, 35.29 ppm; 3.80 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 98 - HG2 GLU 91 far 0 98 0 - 8.4-10.2 QD1 LEU 98 - HG2 GLU 91 far 0 93 0 - 9.6-11.8 QD2 LEU 70 - HG2 GLU 91 far 0 90 0 - 9.6-11.0 Violated in 20 structures by 4.48 A. Peak 9914 from aliabs.peaks (1.40, 2.21, 35.29 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.71: QB ALA 92 + HG2 GLU 91 OK 71 71 100 100 2.7-3.2 3.0/7254=67...(24) HG2 LYS 95 - HG2 GLU 91 far 0 90 0 - 5.8-8.3 HG3 LYS 95 - HG2 GLU 91 far 0 85 0 - 6.3-8.7 HB2 LEU 96 - HG2 GLU 91 far 0 73 0 - 7.9-10.7 HG2 LYS 86 - HG2 GLU 91 far 0 98 0 - 9.5-10.7 HG LEU 96 - HG2 GLU 91 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9915 from aliabs.peaks (4.22, 2.09, 35.29 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.89: HA ALA 88 + HG3 GLU 91 OK 89 89 100 100 3.4-4.0 9916/1.8=82, 11819=69...(14) HA SER 94 - HG3 GLU 91 far 0 90 0 - 8.4-8.8 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 1.9-2.9 9915/1.8=71, 2.1/9854=57...(16) HA SER 94 - HG2 GLU 91 far 0 96 0 - 8.6-9.0 HA ARG 84 - HG2 GLU 91 far 0 83 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 9917 from aliabs.peaks (7.30, 2.09, 35.29 ppm; 5.12 A): 0 out of 2 assignments used, quality = 0.00: QD PHE 87 - HG3 GLU 91 far 4 89 5 - 5.7-8.0 QE PHE 87 - HG3 GLU 91 far 0 68 0 - 6.5-10.0 Violated in 20 structures by 1.69 A. Peak 9918 from aliabs.peaks (7.31, 2.21, 35.29 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.25: QD PHE 87 + HG2 GLU 91 OK 25 99 25 99 5.2-7.6 11352=84, 2.5/11354=61...(9) HE ARG 90 - HG2 GLU 91 far 0 60 0 - 7.2-9.6 H ASN 85 - HG2 GLU 91 far 0 68 0 - 9.4-10.6 HZ PHE 89 - HG2 GLU 91 far 0 100 0 - 9.9-10.7 Violated in 20 structures by 1.67 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 4.2-4.5 9936/2.1=98...(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 3.7-4.6 9936=90, 3.0/9945=74...(20) H GLY 75 - QG2 VAL 93 far 0 89 0 - 5.8-7.4 Violated in 3 structures by 0.00 A. Peak 9923 from aliabs.peaks (7.33, 0.29, 23.10 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.65: HZ PHE 89 + QG2 VAL 93 OK 65 65 100 100 3.2-4.9 2.2/11424=76...(18) HE ARG 90 - QG2 VAL 93 far 15 99 15 - 2.9-7.3 QD PHE 87 - QG2 VAL 93 far 0 92 0 - 8.4-9.3 Violated in 3 structures by 0.04 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 2.4-3.5 2.2/11424=78...(26) 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 3.7-7.2 1.8/11395=98, ~11396=88...(15) HB3 PHE 87 - HA ALA 92 far 0 73 0 - 9.1-10.2 HB2 HIS 5 - HA ALA 92 far 0 78 0 - 10.0-70.5 Violated in 4 structures by 0.09 A. Peak 9928 from aliabs.peaks (2.86, 4.05, 54.95 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.96: HE2 LYS 95 + HA ALA 92 OK 80 97 85 98 2.6-6.1 ~9950=51, 3.0/9941=37...(21) HE3 LYS 95 + HA ALA 92 OK 78 98 80 99 2.7-5.8 9950/2.1=70...(21) HB3 ASP 131 - HA ALA 92 far 0 100 0 - 8.6-10.4 Violated in 1 structures by 0.04 A. Peak 9940 from aliabs.peaks (2.23, 4.05, 54.95 ppm; 5.57 A): 3 out of 6 assignments used, quality = 1.00: HB3 LEU 96 + HA ALA 92 OK 92 92 100 100 4.7-5.8 9975/2894=62...(18) HG2 GLU 91 + HA ALA 92 OK 89 89 100 100 3.5-4.3 7254/2.9=81, 9914/2.1=80...(25) HB3 GLU 128 + HA ALA 92 OK 60 100 60 100 4.3-6.7 11017/2.1=85, ~10444=81...(17) HG2 GLU 97 - HA ALA 92 far 0 92 0 - 7.3-10.8 HB3 GLU 97 - HA ALA 92 far 0 99 0 - 8.7-10.3 HB3 GLN 127 - HA ALA 92 far 0 100 0 - 9.0-10.6 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 = 0.77: HD2 LYS 95 + HA ALA 92 OK 53 93 60 94 2.1-5.7 ~9950=30, 5.5/2894=27...(23) HD3 LYS 95 + HA ALA 92 OK 52 85 65 94 2.0-5.6 ~9950=30, 5.5/2894=27...(23) QB ALA 88 - HA ALA 92 far 0 76 0 - 5.6-6.7 HB2 LEU 98 - HA ALA 92 far 0 99 0 - 7.7-10.6 HB2 LEU 69 - HA ALA 92 far 0 97 0 - 9.6-13.4 Violated in 6 structures by 0.03 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 3.6-4.0 10491/2.1=99...(32) QD1 LEU 42 - HA ALA 92 far 0 97 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 9943 from aliabs.peaks (0.29, 4.05, 54.95 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA ALA 92 OK 100 100 100 100 4.9-5.5 9945/2.1=98, 2918/3.6=93...(31) QD1 ILE 80 - HA ALA 92 far 0 76 0 - 9.0-9.9 Violated in 9 structures by 0.03 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 1.7-2.0 10491=95, 2.1/11317=52...(28) QD1 LEU 42 - QB ALA 92 far 0 63 0 - 6.8-7.8 QD1 LEU 43 - QB ALA 92 far 0 90 0 - 8.8-9.8 QD2 LEU 100 - QB ALA 92 far 0 89 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 9945 from aliabs.peaks (0.28, 1.43, 18.11 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QB ALA 92 OK 100 100 100 100 3.2-3.7 9970=70, 9967/10491=63...(32) QD1 ILE 80 - QB ALA 92 far 0 85 0 - 6.1-7.2 Violated in 0 structures by 0.00 A. Peak 9946 from aliabs.peaks (0.83, 1.43, 18.11 ppm; 3.60 A): 1 out of 8 assignments used, quality = 0.98: QG2 ILE 129 + QB ALA 92 OK 98 99 100 100 3.5-4.5 4163/10491=64...(28) QG1 VAL 133 - QB ALA 92 far 0 99 0 - 5.7-8.3 QD2 LEU 70 - QB ALA 92 far 0 71 0 - 6.3-7.6 QD1 LEU 70 - QB ALA 92 far 0 83 0 - 6.5-8.6 QD1 LEU 122 - QB ALA 92 far 0 68 0 - 6.8-9.1 QD1 LEU 98 - QB ALA 92 far 0 65 0 - 7.4-8.9 QG2 ILE 80 - QB ALA 92 far 0 89 0 - 8.2-9.2 HG13 ILE 80 - QB ALA 92 far 0 83 0 - 8.4-10.3 Violated in 18 structures by 0.27 A. Peak 9947 from aliabs.peaks (1.14, 1.43, 18.11 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 132 + QB ALA 92 OK 99 100 100 99 3.0-3.7 11697/10447=45...(24) QG1 VAL 132 - QB ALA 92 far 0 97 0 - 4.5-5.3 Violated in 2 structures by 0.01 A. Peak 9948 from aliabs.peaks (1.96, 1.43, 18.11 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.69: HB2 LYS 95 + QB ALA 92 OK 69 73 100 94 3.9-4.4 5.3/9950=24, 2896/2.1=19...(26) HB3 LYS 95 - QB ALA 92 far 0 81 0 - 4.9-5.6 HB3 ARG 90 - QB ALA 92 far 0 97 0 - 6.3-6.7 HB3 LYS 86 - QB ALA 92 far 0 100 0 - 9.4-10.1 Violated in 20 structures by 0.37 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 1.9-4.0 1.8/10446=90, 10447=77...(17) HG3 GLU 97 - QB ALA 92 far 0 100 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 9950 from aliabs.peaks (2.86, 1.43, 18.11 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.58: HE3 LYS 95 + QB ALA 92 OK 58 98 60 99 3.9-6.8 5.3/9948=47...(19) HE2 LYS 95 - QB ALA 92 poor 19 97 20 - 4.0-7.1 HB3 ASP 131 - QB ALA 92 far 5 100 5 - 5.4-6.8 Violated in 18 structures by 0.91 A. Peak 9951 from aliabs.peaks (3.24, 1.43, 18.11 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.90: HA VAL 93 + QB ALA 92 OK 90 90 100 100 3.7-3.9 2.9/7267=78, 3.2/9945=70...(27) HD3 ARG 135 - QB ALA 92 far 0 100 0 - 6.9-10.4 HB3 PHE 87 - QB ALA 92 far 0 100 0 - 7.4-8.3 HB2 PHE 87 - QB ALA 92 far 0 96 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 9952 from aliabs.peaks (3.44, 1.43, 18.11 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.98: HA ILE 129 + QB ALA 92 OK 96 96 100 100 3.1-3.7 10478=69, 3.2/9946=60...(23) HA VAL 126 + QB ALA 92 OK 58 99 60 97 4.4-5.1 10402/10491=56...(15) HA VAL 77 - QB ALA 92 far 0 99 0 - 8.4-9.2 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 5 assignments used, quality = 1.00: HA ARG 90 + QG2 VAL 93 OK 100 100 100 100 2.3-3.4 9900=84, 2793/2.1=65...(18) HA SER 130 - QG2 VAL 93 far 0 68 0 - 6.3-7.0 HB3 SER 130 - QG2 VAL 93 far 0 65 0 - 7.0-8.5 HB2 SER 130 - QG2 VAL 93 far 0 81 0 - 7.1-8.6 HA LEU 43 - QG2 VAL 93 far 0 78 0 - 7.6-8.4 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 99 3.4-4.3 3.1/9924=57...(16) HA ALA 92 - QG2 VAL 93 far 5 100 5 - 4.9-5.5 HB2 SER 74 - QG2 VAL 93 far 0 100 0 - 5.0-7.3 HB3 SER 74 - QG2 VAL 93 far 0 100 0 - 5.7-7.7 HA LEU 96 - QG2 VAL 93 far 0 100 0 - 6.1-6.7 HA LEU 122 - QG2 VAL 93 far 0 89 0 - 7.4-8.6 HD3 PRO 81 - QG2 VAL 93 far 0 83 0 - 9.2-11.9 Violated in 6 structures by 0.03 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 3.6-4.1 3.0/9959=71...(25) HA LEU 69 - QG2 VAL 93 far 10 97 10 - 4.7-7.4 HA CYS 125 - QG2 VAL 93 far 0 100 0 - 6.3-6.9 HA ASP 78 - QG2 VAL 93 far 0 68 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 9956 from aliabs.peaks (4.25, 0.29, 23.10 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.97: HA SER 94 + QG2 VAL 93 OK 97 97 100 100 5.3-5.3 9963/2.1=84, 2.9/7282=77...(21) HA PHE 87 - QG2 VAL 93 far 0 81 0 - 7.4-8.2 HA SER 124 - QG2 VAL 93 far 0 99 0 - 9.5-10.1 HA ALA 16 - QG2 VAL 93 far 0 65 0 - 9.9-32.7 Violated in 20 structures by 0.75 A. Peak 9957 from aliabs.peaks (3.43, 0.29, 23.10 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.99: HA VAL 126 + QG2 VAL 93 OK 97 100 100 98 4.3-5.2 11639/10487=71...(13) HA ILE 129 + QG2 VAL 93 OK 73 73 100 100 3.5-4.6 4.2/9967=66...(22) HA VAL 77 - QG2 VAL 93 far 0 83 0 - 5.5-6.2 HB3 HIS 67 - QG2 VAL 93 far 0 76 0 - 9.4-11.2 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: HB2 CYS 45 - QG2 VAL 93 far 5 98 5 - 7.4-8.8 HE3 LYS 86 - QG2 VAL 93 far 3 60 5 - 7.3-10.2 HD2 ARG 135 - QG2 VAL 93 far 0 100 0 - 8.8-11.6 HE2 LYS 39 - QG2 VAL 93 far 0 100 0 - 9.3-12.4 Violated in 17 structures by 0.30 A. Peak 9959 from aliabs.peaks (2.74, 0.29, 23.10 ppm; 3.64 A): 1 out of 5 assignments used, quality = 0.99: HB2 CYS 73 + QG2 VAL 93 OK 99 100 100 100 1.8-2.4 9961/2.1=60, 3.0/9955=46...(26) HB2 TYR 76 - QG2 VAL 93 far 0 83 0 - 4.8-7.4 HB2 CYS 125 - QG2 VAL 93 far 0 95 0 - 4.8-6.8 HB2 ASP 131 - QG2 VAL 93 far 0 73 0 - 8.3-9.7 HB3 ASP 78 - QG2 VAL 93 far 0 83 0 - 9.1-10.6 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 2 assignments used, quality = 0.00: HE3 LYS 86 - QG1 VAL 93 far 0 60 0 - 8.0-11.4 HB2 CYS 45 - QG1 VAL 93 far 0 98 0 - 8.3-10.3 Violated in 20 structures by 2.23 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 2.3-3.5 9959/2.1=77...(20) HB2 CYS 125 - QG1 VAL 93 far 0 99 0 - 5.8-7.1 HB2 TYR 76 - QG1 VAL 93 far 0 68 0 - 5.9-8.6 HB3 ASP 78 - QG1 VAL 93 far 0 93 0 - 9.2-10.7 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 4 assignments used, quality = 1.00: HA ARG 90 + QG1 VAL 93 OK 100 100 100 100 3.2-3.6 9953/2.1=74, 2793/2.1=71...(13) HA SER 130 - QG1 VAL 93 far 0 60 0 - 8.7-9.5 HB2 SER 130 - QG1 VAL 93 far 0 87 0 - 9.3-10.9 HA LEU 43 - QG1 VAL 93 far 0 71 0 - 9.4-10.6 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 3 assignments used, quality = 1.00: HA SER 94 + QG1 VAL 93 OK 100 100 100 100 2.8-3.2 2.9/7283=68...(23) HA PHE 87 - QG1 VAL 93 far 0 60 0 - 8.3-9.1 HA SER 99 - QG1 VAL 93 far 0 89 0 - 9.2-10.2 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 1.9-2.4 10461=97, 9967/2919=69...(38) QD1 LEU 42 - HA VAL 93 far 0 99 0 - 6.7-7.4 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 1.8-2.5 10487=82, 10461/2919=36...(36) QD1 LEU 42 - QG2 VAL 93 far 5 100 5 - 4.0-4.5 Violated in 0 structures by 0.00 A. Peak 9968 from aliabs.peaks (1.03, 0.29, 23.10 ppm; 4.29 A): 3 out of 3 assignments used, quality = 0.75: QD1 LEU 69 + QG2 VAL 93 OK 53 83 65 98 3.0-5.9 3.2/11407=58...(18) QG1 VAL 77 + QG2 VAL 93 OK 32 65 50 99 4.2-5.8 2.1/9969=73...(17) QG2 VAL 133 + QG2 VAL 93 OK 22 93 25 95 4.7-7.4 10552/11424=52...(11) Violated in 6 structures by 0.09 A. Peak 9969 from aliabs.peaks (1.18, 0.29, 23.10 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.84: QG2 VAL 77 + QG2 VAL 93 OK 84 100 85 99 4.2-5.4 9676/11424=59...(15) HG3 LYS 39 - QG2 VAL 93 far 0 83 0 - 8.9-11.3 QB ALA 41 - QG2 VAL 93 far 0 100 0 - 9.0-9.4 Violated in 18 structures by 0.42 A. Peak 9970 from aliabs.peaks (1.42, 0.29, 23.10 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 92 + QG2 VAL 93 OK 100 100 100 100 3.2-3.7 9945=78, 10491/10487=57...(32) HG LEU 96 + QG2 VAL 93 OK 42 65 65 99 3.7-5.2 9974/2.1=64, 2.1/2922=39...(34) HG2 LYS 86 - QG2 VAL 93 far 0 97 0 - 7.2-8.1 QB ALA 34 - QG2 VAL 93 far 0 97 0 - 9.6-12.8 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 = 0.98: HB3 LEU 96 + QG2 VAL 93 OK 95 100 95 100 3.7-5.3 3.8/11425=51...(40) HG2 GLU 97 + QG2 VAL 93 OK 55 100 55 100 4.1-6.9 ~9972=55, ~9972=48...(22) HB3 GLU 128 - QG2 VAL 93 far 0 97 0 - 5.3-8.0 HB3 GLU 97 - QG2 VAL 93 far 0 76 0 - 5.9-7.5 HG2 GLN 68 - QG2 VAL 93 far 0 65 0 - 7.3-10.9 HB3 GLN 127 - QG2 VAL 93 far 0 83 0 - 8.7-9.5 HB2 GLN 68 - QG2 VAL 93 far 0 73 0 - 9.0-10.8 Violated in 2 structures by 0.02 A. Peak 9972 from aliabs.peaks (2.42, 0.75, 21.32 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.79: HG3 GLU 97 + QG1 VAL 93 OK 79 81 100 99 2.0-4.4 9486/11322=38...(18) HG3 GLU 128 - QG1 VAL 93 far 0 100 0 - 7.2-9.9 HG2 GLN 101 - QG1 VAL 93 far 0 100 0 - 7.6-10.2 Violated in 2 structures by 0.02 A. Peak 9973 from aliabs.peaks (2.24, 0.75, 21.32 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.99: HB3 LEU 96 + QG1 VAL 93 OK 90 100 90 100 3.7-5.2 3.0/9974=58...(31) HG2 GLU 97 + QG1 VAL 93 OK 79 100 80 98 2.2-4.9 1.8/9972=63...(18) HB3 GLU 97 + QG1 VAL 93 OK 34 78 45 97 4.0-5.2 2.9/9972=51...(17) HB3 GLU 128 - QG1 VAL 93 far 0 97 0 - 7.5-10.0 HG2 GLN 68 - QG1 VAL 93 far 0 68 0 - 7.7-11.2 HB2 GLN 68 - QG1 VAL 93 far 0 76 0 - 8.9-10.6 Violated in 3 structures by 0.01 A. Peak 9974 from aliabs.peaks (1.42, 0.75, 21.32 ppm; 3.73 A): 1 out of 6 assignments used, quality = 0.75: HG LEU 96 + QG1 VAL 93 OK 75 76 100 99 2.8-3.9 5.0/11432=27, ~11806=26...(38) QB ALA 92 - QG1 VAL 93 far 0 98 0 - 5.0-5.1 QB ALA 16 - QG1 VAL 93 far 0 60 0 - 7.0-28.0 HG2 LYS 86 - QG1 VAL 93 far 0 99 0 - 8.3-9.3 HG3 LYS 19 - QG1 VAL 93 far 0 89 0 - 9.5-29.3 QB ALA 34 - QG1 VAL 93 far 0 99 0 - 9.5-12.9 Violated in 5 structures by 0.03 A. Peak 9986 from aliabs.peaks (2.73, 0.77, 23.66 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: HB2 CYS 125 + QD1 LEU 96 OK 100 100 100 100 3.3-4.3 1.8/9987=79, 10382=71...(26) HB2 CYS 73 - QD1 LEU 96 far 0 100 0 - 5.5-7.9 HB2 ASP 64 - QD1 LEU 96 far 0 87 0 - 8.8-10.6 HB2 TYR 76 - QD1 LEU 96 far 0 57 0 - 9.0-11.6 Violated in 11 structures by 0.08 A. Peak 9987 from aliabs.peaks (3.21, 0.77, 23.66 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.98: HB3 CYS 125 + QD1 LEU 96 OK 98 98 100 100 3.3-4.1 1.8/9986=72, 10387=62...(25) Violated in 9 structures by 0.05 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 3.4-5.0 9987/2.1=90, ~9986=65...(28) Violated in 1 structures by 0.02 A. Peak 9991 from aliabs.peaks (3.65, 0.75, 26.12 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.69: HA2 GLY 66 + QD2 LEU 96 OK 57 73 100 77 3.9-5.5 11808/2.1=38...(8) HA3 GLY 66 + QD2 LEU 96 OK 28 85 50 67 4.9-6.3 11808/2.1=37, ~11808=29...(7) Violated in 11 structures by 0.18 A. Peak 10000 from aliabs.peaks (0.82, 3.76, 59.92 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.96: QD1 LEU 70 + HA GLU 97 OK 96 96 100 100 2.6-4.1 11101=79, 2.1/11090=71...(26) QD1 LEU 122 - HA GLU 97 far 9 87 10 - 4.2-6.9 QD2 LEU 49 - HA GLU 97 far 0 65 0 - 6.0-8.7 QG2 ILE 129 - HA GLU 97 far 0 100 0 - 7.9-9.4 Violated in 9 structures by 0.13 A. Peak 10001 from aliabs.peaks (0.60, 3.76, 59.92 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 100 + HA GLU 97 OK 100 100 100 100 2.0-4.0 10036=99, 11115/11090=65...(32) 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...(27) QD1 LEU 70 + HB2 GLU 97 OK 68 68 100 100 1.9-4.3 2.1/11109=67, 11111=52...(25) QD1 LEU 98 - HB2 GLU 97 poor 18 81 50 45 3.3-7.3 4.8/7358=32...(5) QD2 LEU 69 - HB2 GLU 97 far 0 63 0 - 6.3-10.5 QG2 ILE 129 - HB2 GLU 97 far 0 93 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 10003 from aliabs.peaks (0.83, 2.22, 28.66 ppm; 3.75 A): 4 out of 16 assignments used, quality = 0.97: QD2 LEU 70 + HB3 GLU 97 OK 78 78 100 100 1.9-4.0 11109/1.8=50, ~11111=45...(35) QD1 LEU 70 + HB3 GLU 97 OK 76 76 100 100 1.9-4.2 10000/3.0=54...(31) QG2 ILE 80 + HB2 GLN 82 OK 29 34 95 92 3.4-4.9 11263/1.8=45...(11) QD1 LEU 98 + HB3 GLU 97 OK 21 73 50 57 2.7-6.9 4.8/7359=34, 4.0/3156=16...(8) QD1 LEU 98 - HB3 GLU 102 far 3 63 5 - 4.6-9.0 QG2 ILE 129 - HB3 GLU 128 far 0 78 0 - 4.9-6.8 HG13 ILE 80 - HB2 GLN 82 far 0 30 0 - 5.7-8.8 QD1 LEU 122 - HB3 GLU 102 far 0 51 0 - 5.9-10.0 QD1 LEU 122 - HB3 GLU 97 far 0 60 0 - 6.3-8.9 QG1 VAL 133 - HB2 GLN 82 far 0 47 0 - 6.7-10.5 QG2 ILE 129 - HB3 GLU 97 far 0 97 0 - 7.4-9.9 QG1 VAL 133 - HB3 GLU 128 far 0 84 0 - 7.5-10.4 QD1 LEU 122 - HB3 GLU 128 far 0 45 0 - 8.9-12.1 QD2 LEU 70 - HB3 GLU 102 far 0 68 0 - 8.9-11.0 QD2 LEU 70 - HB3 GLU 128 far 0 60 0 - 9.1-11.7 QD1 LEU 70 - HB3 GLU 102 far 0 66 0 - 9.2-12.5 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 1.9-4.3 9486/1.8=56, ~9489=47...(32) QD1 LEU 70 + HG2 GLU 97 OK 76 76 100 100 2.4-4.4 ~9486=50, 9489/1.8=50...(29) QD1 LEU 98 - HG2 GLU 97 poor 9 73 30 42 2.0-7.7 4.8/3139=27...(5) QD1 LEU 122 - HG2 GLU 97 far 0 60 0 - 5.6-8.8 QG2 ILE 129 - HG2 GLU 97 far 0 97 0 - 6.4-10.3 Violated in 1 structures by 0.00 A. Peak 10005 from aliabs.peaks (0.83, 2.40, 35.20 ppm; 3.65 A): 2 out of 7 assignments used, quality = 0.94: QD1 LEU 70 + HG3 GLU 97 OK 81 85 95 100 1.9-4.6 9489=75, 2.1/9486=73...(24) QD2 LEU 70 + HG3 GLU 97 OK 68 68 100 100 1.8-4.4 2.1/9489=67, 9486=56...(26) QD1 LEU 98 - HG3 GLU 97 poor 13 63 20 - 2.9-7.8 QG1 VAL 133 - HG3 GLU 40 far 0 80 0 - 6.5-9.3 QG2 ILE 129 - HG3 GLU 97 far 0 99 0 - 6.6-10.2 QD1 LEU 122 - HG3 GLU 97 far 0 71 0 - 6.8-9.0 QG2 ILE 32 - HG3 GLU 40 far 0 80 0 - 9.4-16.7 Violated in 2 structures by 0.02 A. Peak 10010 from aliabs.peaks (1.40, 2.40, 35.20 ppm; 4.93 A): 3 out of 11 assignments used, quality = 1.00: HG LEU 96 + HG3 GLU 97 OK 100 100 100 100 2.5-5.4 11461/2.9=71...(28) HB2 LEU 96 + HG3 GLU 97 OK 23 78 30 100 4.8-7.6 4.4/7348=65...(30) HB3 LEU 100 + HG3 GLU 97 OK 21 60 35 98 5.0-7.1 3.2/10011=42, ~10012=41...(18) HG2 LYS 95 - HG3 GLU 97 far 9 93 10 - 5.8-10.8 HG2 LYS 36 - HG3 GLU 40 far 3 58 5 - 5.7-11.8 HG3 LYS 95 - HG3 GLU 97 far 0 89 0 - 6.4-10.0 HB2 LEU 42 - HG3 GLU 40 far 0 43 0 - 6.7-8.4 QB ALA 92 - HG3 GLU 97 far 0 65 0 - 6.8-9.0 QB ALA 34 - HG3 GLU 40 far 0 75 0 - 7.1-14.8 QB ALA 29 - HG3 GLU 40 far 0 54 0 - 8.2-21.9 QB ALA 16 - HG3 GLU 97 far 0 97 0 - 8.4-35.2 Violated in 1 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 = 0.76: QD1 LEU 100 + HG3 GLU 97 OK 56 65 85 100 3.6-6.8 11107/9486=96...(18) QD1 ILE 129 + HG3 GLU 97 OK 45 71 65 99 5.6-7.6 10012/1.8=84...(9) QD1 LEU 42 - HG3 GLU 40 far 0 80 0 - 7.8-9.7 QD1 LEU 42 - HG3 GLU 97 far 0 99 0 - 8.0-10.8 Violated in 6 structures by 0.06 A. Peak 10012 from aliabs.peaks (0.63, 2.24, 35.20 ppm; 5.51 A): 1 out of 2 assignments used, quality = 0.55: QD1 ILE 129 + HG2 GLU 97 OK 55 81 70 97 5.5-8.0 9994/3133=52...(11) QD1 LEU 42 - HG2 GLU 97 far 0 100 0 - 8.0-11.5 Violated in 17 structures by 0.76 A. Peak 10013 from aliabs.peaks (0.63, 2.22, 28.66 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.67: QD1 ILE 129 + HB3 GLU 128 OK 67 68 100 99 2.9-5.3 7873/4.5=55...(14) QD1 ILE 129 - HB3 GLU 97 far 0 87 0 - 6.6-8.3 QD1 LEU 42 - HB3 GLU 97 far 0 100 0 - 9.0-11.0 QD1 LEU 42 - HB3 GLU 128 far 0 85 0 - 9.2-11.2 Violated in 7 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 8 78 10 - 5.7-8.0 QD1 LEU 42 - HB2 GLU 97 far 0 100 0 - 8.2-11.2 Violated in 20 structures by 1.68 A. Peak 10015 from aliabs.peaks (0.29, 2.40, 35.20 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG3 GLU 97 OK 100 100 100 100 4.3-6.7 2.1/9972=100...(18) QD1 ILE 80 - HG3 GLU 97 far 0 73 0 - 9.9-12.5 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 4.1-6.9 ~9972=95, ~9972=91...(24) Violated in 5 structures by 0.06 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 1.8-5.1 10527=95, 11783/1.8=81...(25) Violated in 1 structures by 0.04 A. Peak 10020 from aliabs.peaks (8.49, 1.65, 41.87 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.96: H LEU 100 + HB2 LEU 98 OK 90 100 90 100 4.6-6.3 3.6/11480=66...(30) H GLU 97 + HB2 LEU 98 OK 59 98 60 100 4.4-6.3 3.9/7363=78...(10) H HIS 4 - HB2 LEU 98 far 0 71 0 - 9.1-71.7 Violated in 10 structures by 0.07 A. Peak 10021 from aliabs.peaks (8.47, 1.71, 26.70 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.71: H GLU 97 + HG LEU 98 OK 59 63 100 94 3.7-4.7 3.9/3176=71...(11) H LEU 100 + HG LEU 98 OK 29 85 35 99 4.5-6.8 ~3191=33, ~3191=31...(22) H ASP 47 - HG LEU 48 far 0 93 0 - 6.0-6.9 H LEU 70 - HG LEU 98 far 0 100 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 10022 from aliabs.peaks (1.60, 3.76, 63.23 ppm; 4.81 A): 3 out of 6 assignments used, quality = 1.00: HG LEU 122 + HB2 SER 99 OK 100 100 100 100 2.0-4.6 2.1/11479=59, ~11476=46...(31) HB2 LEU 122 + HB2 SER 99 OK 84 99 85 100 2.2-6.3 3.1/11479=52...(33) HB2 LEU 103 + HB2 SER 99 OK 30 76 55 71 4.3-6.4 10261/11478=20...(13) HG LEU 119 - HB2 SER 99 far 0 81 0 - 6.7-10.9 HG LEU 70 - HB2 SER 99 far 0 97 0 - 8.1-10.7 HG LEU 49 - HB2 SER 99 far 0 63 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 10023 from aliabs.peaks (1.75, 4.22, 62.42 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.45: HG LEU 100 + HA SER 99 OK 45 83 55 99 5.8-7.8 3249/3.6=63...(16) Violated in 20 structures by 1.04 A. Peak 10024 from aliabs.peaks (3.64, 0.68, 23.45 ppm; 3.25 A): 2 out of 8 assignments used, quality = 0.99: HA3 GLY 66 + QD2 LEU 100 OK 95 100 100 95 1.9-3.4 3.6/9461=30, 9449=26...(21) HA2 GLY 66 + QD2 LEU 100 OK 74 99 80 94 3.2-4.9 3.6/9461=30, 9449=25...(16) HA3 GLY 66 - QD2 LEU 62 far 0 82 0 - 4.9-6.3 HD2 PRO 58 - QD2 LEU 62 far 0 66 0 - 5.1-7.1 HA2 GLY 66 - QD2 LEU 62 far 0 79 0 - 5.1-6.5 HD2 PRO 56 - QD2 LEU 62 far 0 60 0 - 7.4-9.2 HD3 PRO 56 - QD2 LEU 62 far 0 78 0 - 7.7-8.9 HD2 PRO 58 - QD2 LEU 100 far 0 87 0 - 9.0-11.6 Violated in 1 structures by 0.01 A. Peak 10025 from aliabs.peaks (2.23, 0.68, 23.45 ppm; 4.21 A): 1 out of 15 assignments used, quality = 0.78: HB3 GLN 104 + QD2 LEU 100 OK 78 99 95 83 3.0-5.4 11436/10974=38...(12) HB2 GLN 101 - QD2 LEU 100 far 4 73 5 - 4.7-7.2 HG2 GLN 68 - QD2 LEU 100 far 0 93 0 - 5.5-9.2 HG2 GLU 97 - QD2 LEU 100 far 0 95 0 - 5.5-8.4 HB3 LEU 96 - QD2 LEU 100 far 0 95 0 - 6.1-8.5 HB3 GLU 97 - QD2 LEU 100 far 0 97 0 - 6.1-7.2 HB2 GLN 68 - QD2 LEU 100 far 0 97 0 - 6.3-8.6 HB3 GLU 102 - QD2 LEU 100 far 0 100 0 - 6.4-7.9 HG2 GLN 68 - QD2 LEU 62 far 0 72 0 - 7.3-10.9 HB3 GLN 104 - QD2 LEU 62 far 0 81 0 - 7.9-10.5 HB2 GLN 68 - QD2 LEU 62 far 0 76 0 - 8.0-10.8 HB3 GLN 127 - QD2 LEU 62 far 0 80 0 - 8.5-11.3 HB3 GLU 102 - QD2 LEU 62 far 0 83 0 - 8.8-12.9 HB3 LEU 96 - QD2 LEU 62 far 0 74 0 - 8.9-10.9 HB3 GLN 127 - QD2 LEU 100 far 0 99 0 - 9.7-13.2 Violated in 15 structures by 0.19 A. Peak 10028 from aliabs.peaks (2.20, 3.96, 57.71 ppm; 5.36 A): 1 out of 6 assignments used, quality = 0.44: HB3 GLN 104 + HA LEU 100 OK 44 78 60 95 3.9-7.7 3.9/7481=64...(10) HB2 GLN 101 - HA LEU 100 far 10 100 10 - 6.0-6.6 HB2 GLN 104 - HA LEU 100 far 9 95 10 - 5.6-7.8 HB3 GLU 102 - HA LEU 100 far 3 65 5 - 5.0-7.5 HB3 GLU 97 - HA LEU 100 far 0 87 0 - 6.7-7.8 HG2 GLN 68 - HA LEU 100 far 0 93 0 - 9.3-13.0 Violated in 14 structures by 0.67 A. Peak 10029 from aliabs.peaks (2.22, 1.82, 41.28 ppm; 5.47 A): 5 out of 8 assignments used, quality = 0.99: HB3 GLU 97 + HB2 LEU 100 OK 95 100 95 100 3.8-6.5 3.0/3115=92...(32) HB2 GLN 101 + HB2 LEU 100 OK 59 90 65 100 5.5-7.2 4.0/7411=80, ~10048=59...(14) HB3 GLN 104 + HB2 LEU 100 OK 44 100 45 98 4.3-9.6 10025/3.2=84...(9) HG2 GLU 97 + HB2 LEU 100 OK 28 81 35 100 4.4-7.5 3.8/3115=83...(16) HB3 LEU 96 + HB2 LEU 100 OK 28 81 35 100 5.6-8.5 ~11488=48, ~11918=45...(33) HB3 GLU 102 - HB2 LEU 100 far 0 99 0 - 6.9-9.1 HG2 GLN 68 - HB2 LEU 100 far 0 99 0 - 8.4-11.7 HB2 GLN 68 - HB2 LEU 100 far 0 100 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 10030 from aliabs.peaks (2.21, 0.60, 25.59 ppm; 4.29 A): 3 out of 11 assignments used, quality = 0.93: HB3 GLU 97 + QD1 LEU 100 OK 84 99 85 100 3.9-5.6 3.0/10036=68...(29) HB2 GLN 101 + QD1 LEU 100 OK 36 99 40 92 4.2-7.2 7417/7415=50, ~10048=26...(13) HB3 GLN 104 + QD1 LEU 100 OK 35 97 40 90 3.4-7.2 10025/2.1=64...(6) HG2 GLU 97 - QD1 LEU 100 poor 20 60 35 94 3.5-7.2 3.8/10036=58...(19) HB3 LEU 96 - QD1 LEU 100 poor 12 60 20 - 4.5-7.4 HG2 GLN 68 - QD1 LEU 100 far 5 100 5 - 5.0-7.8 HB2 GLN 104 - QD1 LEU 100 far 4 71 5 - 4.6-7.8 HB2 GLN 68 - QD1 LEU 100 far 0 100 0 - 5.9-7.8 HB3 GLU 102 - QD1 LEU 100 far 0 92 0 - 7.5-9.4 HB3 GLN 127 - QD1 LEU 100 far 0 98 0 - 8.4-12.4 HB3 GLU 128 - QD1 LEU 100 far 0 87 0 - 9.7-13.7 Violated in 8 structures by 0.15 A. Peak 10032 from aliabs.peaks (0.84, 0.68, 23.19 ppm; 3.17 A): 1 out of 11 assignments used, quality = 0.82: QG2 VAL 57 + QD2 LEU 62 OK 82 83 100 99 2.1-3.3 9319=71, 2.1/10923=56...(12) QD2 LEU 70 - QD2 LEU 100 far 9 62 15 - 3.8-5.0 QD1 LEU 70 - QD2 LEU 100 far 3 52 5 - 3.8-6.6 QD2 LEU 69 - QD2 LEU 100 far 0 43 0 - 4.3-6.8 QD2 LEU 69 - QD2 LEU 62 far 0 60 0 - 5.4-7.5 QG2 VAL 57 - QD2 LEU 100 far 0 62 0 - 6.7-8.8 QD1 LEU 98 - QD2 LEU 100 far 0 58 0 - 6.9-8.7 QD2 LEU 70 - QD2 LEU 62 far 0 83 0 - 7.4-8.9 QD1 LEU 70 - QD2 LEU 62 far 0 71 0 - 8.4-11.0 QG2 ILE 129 - QD2 LEU 100 far 0 74 0 - 8.5-10.0 QG2 ILE 32 - QD2 LEU 100 far 0 83 0 - 9.9-18.0 Violated in 1 structures by 0.00 A. Peak 10033 from aliabs.peaks (2.41, 0.68, 23.45 ppm; 4.90 A): 2 out of 6 assignments used, quality = 0.85: HG3 GLN 61 + QD2 LEU 62 OK 80 81 100 99 2.6-5.7 10936/9319=75...(8) HG2 GLN 101 + QD2 LEU 100 OK 26 93 30 92 4.8-7.5 7419/3264=59, ~10053=43...(10) HG3 GLU 97 - QD2 LEU 100 far 0 96 0 - 6.2-8.4 HG3 GLN 61 - QD2 LEU 100 far 0 99 0 - 6.8-9.5 HB3 PRO 58 - QD2 LEU 62 far 0 82 0 - 7.4-8.2 HB3 PRO 58 - QD2 LEU 100 far 0 100 0 - 9.6-11.4 Violated in 1 structures by 0.00 A. Peak 10034 from aliabs.peaks (3.36, 0.60, 25.59 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 63 + QD1 LEU 100 OK 100 100 100 100 2.1-4.5 9386/2.1=89, 10958=67...(27) HB2 HIS 67 + QD1 LEU 100 OK 74 81 95 97 2.9-6.4 3.0/10037=59...(13) HB3 TYR 72 - QD1 LEU 100 far 0 76 0 - 7.6-9.3 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 99 1.8-3.8 10024/2.1=48...(23) HA2 GLY 66 + QD1 LEU 100 OK 98 99 100 99 2.4-4.5 3.6/11037=41...(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 3 assignments used, quality = 0.99: HA GLU 97 + QD1 LEU 100 OK 99 99 100 100 2.0-4.0 10001=83, 11090/11115=56...(32) HB2 SER 99 - QD1 LEU 100 far 5 100 5 - 4.3-6.9 HB3 SER 130 - QD1 LEU 100 far 0 90 0 - 9.7-13.4 Violated in 2 structures by 0.01 A. Peak 10037 from aliabs.peaks (4.21, 0.60, 25.59 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: HA HIS 67 + QD1 LEU 100 OK 100 100 100 100 1.9-4.3 9463=91, 11089/11115=62...(18) HA SER 99 - QD1 LEU 100 far 0 93 0 - 6.3-7.1 HA SER 94 - QD1 LEU 100 far 0 63 0 - 6.9-8.7 HA ALA 29 - QD1 LEU 100 far 0 89 0 - 9.7-21.7 Violated in 1 structures by 0.00 A. Peak 10038 from aliabs.peaks (4.18, 0.68, 23.45 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.90: HA LEU 53 + QD2 LEU 62 OK 75 80 95 99 1.8-5.0 9252=73, 1679/10338=55...(13) HA HIS 67 + QD2 LEU 100 OK 58 81 75 96 3.2-5.6 2.9/9461=46...(13) HA LEU 53 - QD2 LEU 100 far 0 99 0 - 6.6-11.2 HA VAL 105 - QD2 LEU 100 far 0 98 0 - 7.2-8.9 HA HIS 67 - QD2 LEU 62 far 0 60 0 - 8.5-9.8 HB THR 25 - QD2 LEU 62 far 0 82 0 - 9.1-35.3 Violated in 1 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 4.9-5.6 3115/3.0=72...(20) HB2 SER 99 + HA LEU 100 OK 87 89 100 98 3.8-5.5 ~7395=58, ~3219=56...(15) HA VAL 118 - HA LEU 100 far 0 63 0 - 6.1-7.2 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 = 0.99: H LEU 69 + QD1 LEU 100 OK 98 99 100 99 4.0-5.4 3.7/11493=70...(11) H SER 99 + QD1 LEU 100 OK 35 100 35 100 5.2-6.5 3.4/7401=73, ~3257=51...(24) H VAL 126 - QD1 LEU 100 far 14 96 15 - 5.0-8.9 H LEU 96 - QD1 LEU 100 far 14 90 15 - 5.6-7.8 H LEU 123 - QD1 LEU 100 far 4 73 5 - 5.5-9.4 H LEU 49 - QD1 LEU 100 far 0 98 0 - 6.6-9.6 H TYR 72 - QD1 LEU 100 far 0 57 0 - 6.8-8.1 Violated in 3 structures by 0.02 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 1.9-4.2 9472=74, 11485/2.1=71...(11) QD TYR 72 - QD1 LEU 100 far 0 87 0 - 7.5-8.4 Violated in 1 structures by 0.00 A. Peak 10048 from aliabs.peaks (1.39, 4.11, 58.80 ppm; 4.81 A): 2 out of 14 assignments used, quality = 0.94: HB3 LEU 100 + HA GLN 101 OK 92 92 100 100 3.8-4.9 7412/2.9=71, ~7411=56...(21) HG2 LYS 86 + HA ILE 80 OK 31 33 95 100 4.8-5.7 9713/3.0=58, ~11167=41...(22) QB ALA 34 - HA CYS 79 far 0 51 0 - 6.1-10.9 HG2 LYS 86 - HA CYS 79 far 0 54 0 - 6.1-7.0 QB ALA 108 - HA GLN 101 far 0 98 0 - 6.8-11.4 HB2 LEU 42 - HA ILE 80 far 0 47 0 - 7.0-10.5 QB ALA 16 - HA CYS 79 far 0 85 0 - 7.4-33.5 HG LEU 96 - HA GLN 101 far 0 98 0 - 7.8-9.7 QB ALA 12 - HA GLN 101 far 0 60 0 - 8.5-41.4 QB ALA 109 - HA GLN 101 far 0 100 0 - 9.0-13.3 QB ALA 110 - HA GLN 101 far 0 99 0 - 9.4-16.3 HB2 LEU 96 - HA GLN 101 far 0 99 0 - 9.5-11.1 QB ALA 34 - HA ILE 80 far 0 32 0 - 9.5-13.4 HB2 LEU 42 - HA CYS 79 far 0 73 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10049 from aliabs.peaks (0.88, 2.30, 27.78 ppm; 4.40 A): 1 out of 6 assignments used, quality = 0.55: QD1 LEU 98 + HB3 GLN 101 OK 55 78 70 100 4.5-6.3 10055/2.9=69...(14) QD2 LEU 70 - HB3 GLN 101 poor 12 73 50 32 3.6-8.1 11397/7418=11, ~11409=10...(7) QD2 LEU 98 - HB3 GLN 101 far 5 100 5 - 4.6-8.2 QG1 VAL 118 - HB3 GLN 101 far 0 96 0 - 5.5-7.5 QG2 VAL 63 - HB3 GLN 101 far 0 60 0 - 6.2-8.5 QD2 LEU 69 - HB3 GLN 101 far 0 92 0 - 8.2-13.0 Violated in 20 structures by 0.72 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 - 6.2-9.5 QG2 THR 65 - HB3 GLN 127 far 0 67 0 - 8.5-10.7 Violated in 20 structures by 2.77 A. Peak 10051 from aliabs.peaks (1.78, 2.55, 33.53 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.94: HB3 LEU 98 + HG3 GLN 101 OK 94 99 95 100 4.1-6.2 3.1/10055=84...(29) HB3 LEU 103 - HG3 GLN 101 far 0 90 0 - 6.2-9.9 HG LEU 100 - HG3 GLN 101 far 0 100 0 - 6.2-7.5 HB3 LEU 122 - HG3 GLN 101 far 0 95 0 - 7.1-10.9 Violated in 3 structures by 0.10 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 poor 20 100 20 - 5.5-9.0 HG LEU 122 - HG3 GLN 101 far 0 100 0 - 7.3-9.9 HB2 LEU 122 - HG3 GLN 101 far 0 100 0 - 7.6-10.6 Violated in 18 structures by 0.84 A. Peak 10053 from aliabs.peaks (1.38, 2.55, 33.53 ppm; 5.27 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 100 + HG3 GLN 101 OK 100 100 100 100 3.4-5.4 7412/3314=79...(15) QB ALA 108 - HG3 GLN 101 far 0 100 0 - 6.7-13.6 HG LEU 96 - HG3 GLN 101 far 0 81 0 - 6.8-8.6 HB2 LEU 96 - HG3 GLN 101 far 0 100 0 - 8.6-9.9 HG3 LYS 95 - HG3 GLN 101 far 0 98 0 - 9.0-11.4 QB ALA 110 - HG3 GLN 101 far 0 99 0 - 9.6-18.4 Violated in 1 structures by 0.00 A. Peak 10054 from aliabs.peaks (0.99, 2.55, 33.53 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.34: QG2 VAL 105 + HG3 GLN 101 OK 34 89 40 95 3.5-6.4 ~11503=48, 11451/7439=39...(12) QG2 VAL 118 - HG3 GLN 101 far 0 96 0 - 5.9-8.1 QG2 VAL 126 - HG3 GLN 101 far 0 60 0 - 8.3-9.6 Violated in 19 structures by 1.32 A. Peak 10055 from aliabs.peaks (0.87, 2.55, 33.53 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.88: QD1 LEU 98 + HG3 GLN 101 OK 88 93 95 99 3.4-5.3 10057/3.5=55...(12) QD2 LEU 98 - HG3 GLN 101 far 5 98 5 - 3.4-6.8 QD2 LEU 70 - HG3 GLN 101 far 5 90 5 - 4.5-7.1 QG1 VAL 118 - HG3 GLN 101 far 0 83 0 - 5.6-7.1 QD2 LEU 69 - HG3 GLN 101 far 0 99 0 - 9.2-12.4 Violated in 10 structures by 0.17 A. Peak 10056 from aliabs.peaks (0.85, 2.43, 33.53 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.77: QD1 LEU 98 + HG2 GLN 101 OK 77 97 80 99 3.2-6.6 10055/1.8=58...(13) QD2 LEU 70 - HG2 GLN 101 far 5 99 5 - 4.9-7.5 QG1 VAL 133 - HG3 GLN 82 far 0 90 0 - 6.9-11.8 QG1 VAL 133 - HG2 GLN 82 far 0 95 0 - 8.0-11.4 QD2 LEU 69 - HG2 GLN 101 far 0 89 0 - 9.7-13.5 QG2 ILE 129 - HG3 GLN 82 far 0 63 0 - 10.0-12.9 Violated in 18 structures by 0.69 A. Peak 10069 from aliabs.peaks (2.07, 0.78, 24.12 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.98: HB VAL 118 + QD1 LEU 103 OK 85 100 85 100 1.8-5.6 2.1/10265=75, 11611=53...(30) HB2 LEU 62 + QD1 LEU 103 OK 84 97 90 97 3.0-4.5 ~11823=41, 9395=41...(17) HB2 GLU 102 - QD1 LEU 103 far 5 95 5 - 4.4-6.6 HG2 PRO 117 - QD1 LEU 103 far 0 89 0 - 5.3-9.5 HG3 PRO 117 - QD1 LEU 103 far 0 89 0 - 6.5-10.9 HB2 GLN 61 - QD1 LEU 103 far 0 60 0 - 7.3-9.5 HB VAL 57 - QD1 LEU 103 far 0 81 0 - 7.6-8.5 HG3 PRO 113 - QD1 LEU 103 far 0 97 0 - 8.3-13.9 HG3 PRO 58 - QD1 LEU 103 far 0 100 0 - 8.4-10.7 Violated in 3 structures by 0.02 A. Peak 10081 from aliabs.peaks (1.38, 4.18, 62.53 ppm; 5.24 A): 1 out of 5 assignments used, quality = 0.33: QB ALA 108 + HA VAL 105 OK 33 100 35 93 2.1-8.3 7559/11454=72...(4) QB ALA 12 - HA VAL 105 far 0 78 0 - 6.2-42.7 QB ALA 109 - HA VAL 105 far 0 99 0 - 7.1-11.4 QB ALA 110 - HA VAL 105 far 0 100 0 - 7.6-12.2 HB3 LEU 100 - HA VAL 105 far 0 99 0 - 8.5-11.0 Violated in 16 structures by 1.50 A. Peak 10082 from aliabs.peaks (1.40, 2.27, 31.70 ppm; 4.63 A): 0 out of 11 assignments used, quality = 0.00: QB ALA 92 - HB VAL 132 poor 18 29 70 89 4.9-5.7 9947/2.1=43, ~11397=34...(11) QB ALA 108 - HB VAL 105 poor 16 81 20 - 4.2-9.2 QB ALA 109 - HB3 PRO 113 far 0 87 0 - 6.8-12.4 QB ALA 109 - HB VAL 105 far 0 95 0 - 6.8-11.5 QB ALA 110 - HB VAL 105 far 0 87 0 - 6.9-13.4 HG2 LYS 86 - HB VAL 132 far 0 51 0 - 7.2-8.2 HB2 LEU 42 - HB VAL 132 far 0 32 0 - 8.2-9.1 QB ALA 110 - HB3 PRO 113 far 0 79 0 - 8.3-11.0 QB ALA 108 - HB3 PRO 113 far 0 72 0 - 8.9-13.7 HB3 LEU 100 - HB VAL 105 far 0 65 0 - 9.4-11.2 HB2 LEU 96 - HB VAL 132 far 0 42 0 - 9.8-11.6 Violated in 16 structures by 0.25 A. Peak 10083 from aliabs.peaks (2.53, 1.01, 20.08 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.75: HG3 GLU 102 + QG2 VAL 105 OK 75 81 95 98 3.6-5.3 3.7/10086=63...(8) HG3 GLN 101 - QG2 VAL 105 far 11 71 15 - 3.5-6.4 HG3 MET 11 - QG2 VAL 105 far 0 85 0 - 7.7-46.6 Violated in 17 structures by 0.41 A. Peak 10084 from aliabs.peaks (1.40, 1.01, 20.08 ppm; 4.97 A): 1 out of 5 assignments used, quality = 0.28: QB ALA 108 + QG2 VAL 105 OK 28 83 35 97 4.0-7.1 11883/11466=70...(8) QB ALA 109 - QG2 VAL 105 far 5 96 5 - 5.3-8.9 QB ALA 110 - QG2 VAL 105 far 4 89 5 - 4.8-11.0 HB3 LEU 100 - QG2 VAL 105 far 0 68 0 - 6.3-7.9 HG LEU 96 - QG2 VAL 105 far 0 100 0 - 9.0-11.6 Violated in 18 structures by 0.93 A. Peak 10085 from aliabs.peaks (2.38, 0.95, 20.99 ppm; 3.68 A): 3 out of 7 assignments used, quality = 0.97: HG2 GLN 104 + QG1 VAL 105 OK 92 100 100 92 1.9-4.3 11529/2.1=53...(8) HG3 GLN 61 + QG1 VAL 57 OK 45 45 100 100 2.3-3.6 1.8/9377=68, 10937=58...(33) HG3 GLU 55 + QG1 VAL 57 OK 20 60 40 86 2.9-6.2 ~9314=31, ~9314=31...(12) HB3 PRO 58 - QG1 VAL 57 far 0 42 0 - 5.2-5.5 HB3 PRO 58 - QG1 VAL 112 far 0 45 0 - 6.8-10.8 HB2 PRO 117 - QG1 VAL 112 far 0 36 0 - 7.7-11.3 HG3 GLU 97 - QG1 VAL 105 far 0 90 0 - 9.3-12.8 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 6 assignments used, quality = 0.97: HA GLU 102 + QG2 VAL 105 OK 97 100 100 97 1.8-2.4 11508=62, 3465/2.1=39...(12) HA LEU 103 - QG2 VAL 105 poor 18 60 30 - 3.7-5.3 HA LEU 119 - QG2 VAL 105 far 0 87 0 - 8.7-11.1 HA LYS 95 - QG2 VAL 105 far 0 85 0 - 9.4-12.0 HA LEU 96 - QG2 VAL 105 far 0 97 0 - 9.4-11.3 HA LEU 122 - QG2 VAL 105 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 10090 from aliabs.peaks (3.95, 0.95, 20.99 ppm; 5.00 A): 4 out of 16 assignments used, quality = 0.94: HD3 PRO 113 + QG1 VAL 112 OK 63 63 100 100 2.7-3.2 4.4=100 HA2 GLY 111 + QG1 VAL 112 OK 55 55 100 99 5.1-5.7 3.6/7589=74, 4.8/3550=64...(9) HA3 GLY 111 + QG1 VAL 112 OK 42 70 60 100 5.2-6.0 3.6/7589=74, ~10661=74...(8) HB2 SER 106 + QG1 VAL 105 OK 35 89 40 100 5.5-6.7 4.0/7538=73...(19) HB3 SER 107 - QG1 VAL 105 far 10 97 10 - 5.8-7.6 HD3 PRO 117 - QG1 VAL 112 far 7 71 10 - 5.6-9.3 HA3 GLY 111 - QG1 VAL 57 far 0 66 0 - 5.9-13.2 HB2 SER 51 - QG1 VAL 57 far 0 64 0 - 6.1-7.6 HA LEU 100 - QG1 VAL 105 far 0 92 0 - 6.1-8.4 HA2 GLY 111 - QG1 VAL 57 far 0 52 0 - 6.5-14.3 HD3 PRO 113 - QG1 VAL 57 far 0 59 0 - 7.0-11.0 HB3 SER 107 - QG1 VAL 112 far 0 66 0 - 7.8-12.7 HA THR 65 - QG1 VAL 57 far 0 47 0 - 8.3-9.8 HB2 SER 106 - QG1 VAL 112 far 0 57 0 - 8.4-12.9 HA3 GLY 14 - QG1 VAL 105 far 0 57 0 - 8.5-40.4 HB3 SER 107 - QG1 VAL 57 far 0 62 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 10093 from aliabs.peaks (2.26, 4.46, 58.66 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.99: HB VAL 105 + HA SER 106 OK 99 99 100 100 3.8-4.5 2.1/11466=98...(17) HB3 GLU 102 + HA SER 106 OK 25 60 55 77 4.8-8.8 ~11781=37, ~11473=32...(8) Violated in 0 structures by 0.00 A. Peak 10094 from aliabs.peaks (1.39, 3.98, 63.90 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: QB ALA 108 + HB3 SER 106 OK 99 99 100 100 2.8-6.6 11883/3.0=100...(11) QB ALA 108 + HB2 SER 106 OK 80 80 100 100 3.4-6.3 11883/3.0=100...(11) QB ALA 109 + HB3 SER 106 OK 40 100 85 47 3.6-8.1 ~11461=16, 11532/3.0=13...(7) QB ALA 109 + HB2 SER 106 OK 29 84 80 43 2.0-8.3 ~11461=16, 11532/3.0=13...(7) QB ALA 110 - HB3 SER 106 far 15 100 15 - 2.8-12.3 QB ALA 110 - HB2 SER 106 far 12 83 15 - 3.0-12.0 HB3 LEU 100 - HB3 SER 106 far 0 93 0 - 9.2-12.9 HB3 LEU 100 - HB2 SER 106 far 0 73 0 - 9.7-13.2 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 = 0.96: QG1 VAL 105 + HB3 SER 106 OK 71 71 100 100 5.2-6.7 ~11466=76, ~11530=75...(18) QG2 VAL 118 + HB3 SER 106 OK 54 71 95 80 3.4-7.0 2.1/11854=45...(9) QG1 VAL 105 + HB2 SER 106 OK 53 53 100 100 5.5-6.7 ~11466=76, ~11530=75...(18) QG2 VAL 118 + HB2 SER 106 OK 36 53 100 69 2.8-6.9 ~11854=39...(7) QG1 VAL 112 - HB2 SER 106 far 0 75 0 - 8.4-12.9 QG1 VAL 112 - HB3 SER 106 far 0 95 0 - 8.9-12.6 QD2 LEU 53 - HB2 SER 106 far 0 76 0 - 9.0-16.9 QD2 LEU 53 - HB3 SER 106 far 0 96 0 - 9.1-16.5 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 11 assignments used, quality = 0.99: QD1 LEU 103 + HB3 SER 106 OK 97 98 100 99 3.7-6.5 11469/4.0=66...(23) QD1 LEU 103 + HB2 SER 106 OK 66 80 85 98 4.3-7.8 11469/4.0=66, ~11536=40...(21) QG1 VAL 63 - HB3 SER 106 poor 20 99 20 - 6.8-10.1 QD2 LEU 119 - HB2 SER 106 poor 17 84 20 - 6.1-12.6 QD2 LEU 119 - HB3 SER 106 poor 11 100 40 28 5.7-11.4 11612/11854=7...(8) QD2 LEU 122 - HB2 SER 106 far 4 83 5 - 6.9-12.2 QG1 VAL 63 - HB2 SER 106 far 4 80 5 - 6.5-10.2 QD1 LEU 122 - HB3 SER 106 far 0 90 0 - 7.3-12.0 QD2 LEU 122 - HB3 SER 106 far 0 100 0 - 7.3-11.3 QD1 LEU 122 - HB2 SER 106 far 0 70 0 - 8.0-12.4 QD1 LEU 70 - HB3 SER 106 far 0 78 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 10104 from aliabs.peaks (1.40, 3.96, 63.62 ppm; 4.40 A): 2 out of 9 assignments used, quality = 0.57: QB ALA 108 + HB2 SER 106 OK 37 55 70 96 3.4-6.3 11883/3.0=73...(9) QB ALA 108 + HB3 SER 107 OK 32 83 40 97 4.4-6.0 7559/4.7=51...(8) QB ALA 109 - HB3 SER 107 far 14 96 15 - 4.0-9.0 QB ALA 110 - HB3 SER 107 far 13 89 15 - 4.4-9.9 QB ALA 110 - HB2 SER 106 far 6 60 10 - 3.0-12.0 QB ALA 109 - HB2 SER 106 poor 5 67 30 22 2.0-8.3 11532/3.0=7, ~11461=7...(6) HB3 LEU 100 - HB3 SER 107 far 0 68 0 - 8.9-14.1 HB3 LEU 100 - HB2 SER 106 far 0 44 0 - 9.7-13.2 QB ALA 15 - HB3 SER 107 far 0 87 0 - 9.8-40.5 Violated in 5 structures by 0.03 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 - HB2 SER 106 poor 8 38 20 - 2.8-6.9 QG2 VAL 118 - HB3 SER 107 far 3 60 5 - 3.9-10.4 QG1 VAL 105 - HB2 SER 106 far 0 53 0 - 5.5-6.7 QG1 VAL 105 - HB3 SER 107 far 0 81 0 - 5.8-7.6 QD2 LEU 53 - HB3 SER 107 far 0 99 0 - 7.1-18.3 QG1 VAL 112 - HB3 SER 107 far 0 98 0 - 7.8-12.7 QG1 VAL 112 - HB2 SER 106 far 0 71 0 - 8.4-12.9 QD2 LEU 53 - HB2 SER 106 far 0 71 0 - 9.0-16.9 Violated in 17 structures by 0.89 A. Peak 10106 from aliabs.peaks (0.78, 3.96, 63.62 ppm; 3.87 A): 0 out of 13 assignments used, quality = 0.00: QD1 LEU 103 - HB3 SER 107 poor 20 100 20 - 2.2-8.2 QD1 LEU 103 - HB2 SER 106 far 11 74 15 - 4.3-7.8 QG1 VAL 63 - HB3 SER 107 far 10 100 10 - 3.7-9.2 QD2 LEU 119 - HB3 SER 107 far 5 97 5 - 3.6-13.5 QD2 LEU 122 - HB3 SER 107 far 0 99 0 - 5.8-12.4 QD2 LEU 119 - HB2 SER 106 far 0 69 0 - 6.1-12.6 QG1 VAL 63 - HB2 SER 106 far 0 74 0 - 6.5-10.2 QD2 LEU 122 - HB2 SER 106 far 0 71 0 - 6.9-12.2 QD1 LEU 122 - HB3 SER 107 far 0 63 0 - 7.4-13.2 QD1 LEU 122 - HB2 SER 106 far 0 40 0 - 8.0-12.4 QD1 LEU 53 - HB3 SER 107 far 0 92 0 - 8.0-18.4 QD2 LEU 49 - HB3 SER 107 far 0 85 0 - 9.1-16.0 QD1 LEU 96 - HB3 SER 107 far 0 100 0 - 9.6-14.2 Violated in 14 structures by 0.58 A. Peak 10107 from aliabs.peaks (1.82, 3.92, 63.62 ppm; 5.46 A): 2 out of 8 assignments used, quality = 0.89: HB2 LYS 36 + HB2 SER 33 OK 70 70 100 100 3.6-5.7 10856/1.8=96, ~10778=66...(12) HB ILE 32 + HB2 SER 33 OK 65 65 100 100 5.2-6.2 6361/6367=89...(16) HB3 LYS 26 - HB2 SER 33 far 10 69 15 - 4.0-17.1 HB3 LYS 19 - HB2 SER 33 far 0 59 0 - 6.4-21.1 HB3 LYS 31 - HB2 SER 33 far 0 66 0 - 6.5-9.3 HB3 ARG 23 - HB2 SER 33 far 0 71 0 - 7.9-23.2 HB2 LEU 100 - HB2 SER 107 far 0 100 0 - 9.5-14.7 HB3 LYS 24 - HB2 SER 33 far 0 68 0 - 10.0-24.9 Violated in 0 structures by 0.00 A. Peak 10109 from aliabs.peaks (1.42, 3.92, 63.62 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.72: QB ALA 34 + HB2 SER 33 OK 72 72 100 100 4.4-5.0 6376/6373=85...(11) QB ALA 109 - HB2 SER 107 poor 19 63 30 - 3.5-8.1 HG2 LYS 26 - HB2 SER 33 far 9 61 15 - 3.5-18.7 HG13 ILE 32 - HB2 SER 33 far 3 63 5 - 5.5-7.6 HG3 LYS 19 - HB2 SER 33 far 0 49 0 - 8.2-23.0 QB ALA 16 - HB2 SER 33 far 0 45 0 - 8.4-24.0 Violated in 6 structures by 0.03 A. Peak 10110 from aliabs.peaks (0.96, 3.92, 63.62 ppm; 5.58 A): 0 out of 6 assignments used, quality = 0.00: QG1 VAL 105 - HB2 SER 107 poor 20 99 20 - 6.0-8.3 QG2 ILE 37 - HB2 SER 33 poor 15 44 35 - 6.1-8.5 QD1 LEU 119 - HB2 SER 107 far 12 81 15 - 4.2-12.7 QD2 LEU 53 - HB2 SER 107 far 0 99 0 - 6.6-18.5 QG1 VAL 112 - HB2 SER 107 far 0 99 0 - 7.1-12.4 QG1 VAL 57 - HB2 SER 107 far 0 89 0 - 9.4-15.8 Violated in 13 structures by 0.27 A. Peak 10111 from aliabs.peaks (0.81, 3.92, 63.62 ppm; 4.98 A): 1 out of 7 assignments used, quality = 0.42: QG2 ILE 32 + HB2 SER 33 OK 42 42 100 100 4.0-4.6 4.4/6367=71...(16) QD2 LEU 119 - HB2 SER 107 far 7 73 10 - 2.6-14.2 QD2 LEU 122 - HB2 SER 107 far 0 65 0 - 6.6-13.4 QD1 LEU 122 - HB2 SER 107 far 0 99 0 - 7.2-13.7 QD1 LEU 53 - HB2 SER 107 far 0 83 0 - 7.8-18.8 QD2 LEU 22 - HB2 SER 33 far 0 38 0 - 8.3-23.3 QD2 LEU 49 - HB2 SER 107 far 0 90 0 - 9.6-16.6 Violated in 0 structures by 0.00 A. Peak 10113 from aliabs.peaks (0.98, 4.39, 58.42 ppm; 6.64 A): 3 out of 7 assignments used, quality = 0.89: QG2 VAL 105 + HA SER 107 OK 68 68 100 100 5.5-6.5 11485/7555=88, ~11448=73...(9) QG1 VAL 105 + HA SER 107 OK 47 60 90 87 6.6-7.6 10110/3.0=55, ~11476=43...(5) QG2 VAL 118 + HA SER 107 OK 38 81 65 72 4.9-8.8 10272=63, 10265/10115=19...(4) QG1 VAL 112 - HA SER 107 poor 18 89 20 - 6.6-11.7 QD2 LEU 53 - HA SER 107 far 0 90 0 - 8.1-16.6 QG1 VAL 105 - HA SER 9 far 0 49 0 - 8.1-47.9 QG2 VAL 105 - HA SER 9 far 0 56 0 - 9.0-48.0 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 2.7-3.2 1.8/10125=71...(34) HA2 GLY 111 - QG1 VAL 112 far 0 100 0 - 5.1-5.7 HA3 GLY 111 - QG1 VAL 112 far 0 96 0 - 5.2-6.0 HD3 PRO 117 - QG1 VAL 112 far 0 85 0 - 5.6-9.3 HB3 SER 107 - QG1 VAL 105 far 0 41 0 - 5.8-7.6 HB2 SER 107 - QG1 VAL 105 far 0 60 0 - 6.0-8.3 HB2 SER 107 - QG1 VAL 112 far 0 92 0 - 7.1-12.4 HB3 SER 107 - QG1 VAL 112 far 0 68 0 - 7.8-12.7 HA3 GLY 14 - QG1 VAL 105 far 0 61 0 - 8.5-40.4 HA2 GLY 14 - QG1 VAL 105 far 0 60 0 - 8.7-39.0 HB3 SER 60 - QG1 VAL 105 far 0 43 0 - 8.8-11.7 HB2 SER 60 - QG1 VAL 105 far 0 43 0 - 8.8-12.4 HB3 SER 60 - QG1 VAL 112 far 0 71 0 - 9.5-13.4 HB2 SER 60 - QG1 VAL 112 far 0 71 0 - 9.6-14.5 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 1.7-1.9 11557=76, 1.8/10124=68...(35) Violated in 0 structures by 0.00 A. Peak 10126 from aliabs.peaks (3.93, 0.92, 20.13 ppm; 3.43 A): 3 out of 7 assignments used, quality = 0.99: HA2 GLY 111 + QG2 VAL 112 OK 97 100 100 98 3.5-4.0 10661=66, 3.6/3556=53...(13) HA3 GLY 111 + QG2 VAL 112 OK 52 85 65 94 3.9-4.6 1.8/10661=58...(12) HD3 PRO 113 + QG2 VAL 112 OK 34 97 35 100 4.1-4.7 10124/2.1=68, 10139=67...(39) HD3 PRO 117 - QG2 VAL 112 far 3 68 5 - 4.1-9.6 HB2 SER 107 - QG2 VAL 112 far 0 99 0 - 5.5-10.7 HB3 SER 60 - QG2 VAL 112 far 0 87 0 - 7.2-13.4 HB2 SER 60 - QG2 VAL 112 far 0 87 0 - 7.6-12.5 Violated in 10 structures by 0.02 A. Peak 10128 from aliabs.peaks (4.27, 2.12, 32.13 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: HB THR 115 + HB VAL 112 OK 100 100 100 100 2.7-4.7 11544/2.1=89...(15) HA ALA 109 - HB VAL 112 poor 19 97 20 - 3.8-9.8 HA ALA 110 - HB VAL 112 far 0 89 0 - 5.6-8.6 HA ALA 108 - HB VAL 112 far 0 97 0 - 7.6-10.4 Violated in 4 structures by 0.03 A. Peak 10129 from aliabs.peaks (3.94, 2.12, 32.13 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.40: HD3 PRO 113 + HB VAL 112 OK 40 100 40 100 4.0-4.9 11571=80, 1.8/11570=80...(38) HA2 GLY 111 - HB VAL 112 far 5 99 5 - 4.4-6.3 HA3 GLY 111 - HB VAL 112 far 0 99 0 - 4.8-6.4 HD3 PRO 117 - HB VAL 112 far 0 92 0 - 5.2-9.8 HB2 SER 107 - HB VAL 112 far 0 85 0 - 6.1-14.2 HB3 SER 107 - HB VAL 112 far 0 78 0 - 7.0-14.7 HB2 SER 106 - HB VAL 112 far 0 60 0 - 8.2-13.9 HB2 SER 60 - HB VAL 112 far 0 60 0 - 9.6-15.4 Violated in 20 structures by 0.84 A. Peak 10130 from aliabs.peaks (3.70, 2.12, 32.13 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + HB VAL 112 OK 100 100 100 100 2.7-4.0 11570=100, 10125/2.1=77...(39) Violated in 12 structures by 0.15 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 3.3-4.0 10137=99, 10125/2.1=79...(39) Violated in 13 structures by 0.13 A. Peak 10134 from aliabs.peaks (1.40, 2.12, 32.13 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.94: QB ALA 109 + HB VAL 112 OK 94 99 95 100 1.9-8.5 10135/2.1=89...(13) QB ALA 110 - HB VAL 112 far 5 95 5 - 3.9-7.0 QB ALA 108 - HB VAL 112 far 0 90 0 - 5.7-9.0 HG2 LYS 86 - HB2 PRO 81 far 0 61 0 - 8.1-9.4 HB2 LEU 42 - HB2 PRO 81 far 0 53 0 - 9.0-14.9 Violated in 2 structures by 0.21 A. Peak 10135 from aliabs.peaks (1.40, 0.96, 20.76 ppm; 3.81 A): 1 out of 7 assignments used, quality = 0.84: QB ALA 109 + QG1 VAL 112 OK 84 90 95 98 3.2-7.5 10134/2.1=52...(14) QB ALA 110 - QG1 VAL 112 far 8 81 10 - 3.9-6.8 QB ALA 108 - QG1 VAL 105 far 4 45 10 - 3.6-8.4 QB ALA 108 - QG1 VAL 112 far 0 73 0 - 5.9-8.2 QB ALA 110 - QG1 VAL 105 far 0 50 0 - 7.0-12.0 QB ALA 109 - QG1 VAL 105 far 0 59 0 - 7.1-10.7 HG LEU 96 - QG1 VAL 105 far 0 69 0 - 10.0-13.0 Violated in 12 structures by 0.27 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 3.3-4.0 10131=99, 2.1/10125=79...(39) QD1 LEU 119 - HD2 PRO 113 far 0 98 0 - 5.3-7.8 QD1 LEU 62 - HD2 PRO 113 far 0 90 0 - 7.0-9.8 QG1 VAL 57 - HD2 PRO 113 far 0 95 0 - 8.2-11.6 Violated in 13 structures by 0.13 A. Peak 10139 from aliabs.peaks (0.93, 3.94, 50.81 ppm; 3.84 A): 1 out of 9 assignments used, quality = 0.99: QG2 VAL 112 + HD3 PRO 113 OK 99 99 100 100 4.1-4.7 2.1/10124=82...(39) QD1 LEU 119 - HD3 PRO 113 far 10 98 10 - 4.4-8.0 QG2 VAL 112 - HD3 PRO 117 far 4 71 5 - 4.1-9.6 QD1 LEU 119 - HD3 PRO 117 far 0 69 0 - 4.8-6.0 QD1 LEU 62 - HD3 PRO 113 far 0 90 0 - 5.9-10.0 QG1 VAL 57 - HD3 PRO 113 far 0 95 0 - 7.0-11.0 QD1 LEU 62 - HD3 PRO 117 far 0 60 0 - 7.2-9.1 QG2 VAL 63 - HD3 PRO 113 far 0 85 0 - 8.6-13.0 QG2 VAL 63 - HD3 PRO 117 far 0 55 0 - 8.9-11.0 Violated in 20 structures by 0.60 A. Peak 10140 from aliabs.peaks (0.95, 1.91, 31.65 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.87: QG1 VAL 112 + HB2 PRO 113 OK 87 87 100 100 4.6-5.1 10125/3.0=68...(45) QD1 LEU 119 - HB2 PRO 113 poor 20 98 20 - 4.0-7.3 QG1 VAL 57 - HB2 PRO 113 far 0 100 0 - 5.8-10.7 QD2 LEU 53 - HB2 PRO 113 far 0 85 0 - 5.9-11.0 QG2 VAL 112 - HB2 PRO 113 far 0 73 0 - 6.3-6.5 Violated in 20 structures by 0.37 A. Peak 10141 from aliabs.peaks (1.58, 2.06, 27.50 ppm; 4.94 A): 1 out of 10 assignments used, quality = 0.30: HG LEU 123 + HB2 GLN 127 OK 30 76 40 100 5.1-7.3 2.1/10436=72, ~11500=67...(21) HB2 LEU 103 - HG2 PRO 117 far 0 88 0 - 6.4-9.0 HG LEU 103 - HG2 PRO 117 far 0 72 0 - 7.4-10.5 HG LEU 49 - HB2 GLN 127 far 0 81 0 - 7.7-11.6 HB2 LEU 103 - HG3 PRO 117 far 0 88 0 - 8.0-10.7 HG LEU 122 - HG2 PRO 117 far 0 49 0 - 8.0-11.5 HG LEU 103 - HG3 PRO 117 far 0 72 0 - 8.8-12.2 HG LEU 122 - HB2 GLN 127 far 0 44 0 - 9.4-12.0 HG LEU 122 - HG3 PRO 117 far 0 49 0 - 9.7-13.2 HG LEU 103 - HG3 PRO 58 far 0 61 0 - 10.0-12.9 Violated in 20 structures by 1.34 A. Peak 10142 from aliabs.peaks (0.97, 2.06, 27.50 ppm; 4.21 A): 2 out of 17 assignments used, quality = 1.00: QG1 VAL 112 + HG3 PRO 113 OK 100 100 100 100 3.0-3.5 10125/2.3=89...(41) QG1 VAL 57 + HG3 PRO 58 OK 49 49 100 100 4.1-4.4 9309/2.3=53, 9308/2.3=53...(21) QG1 VAL 126 - HB2 GLN 127 far 11 76 15 - 4.1-5.6 QG2 VAL 126 - HB2 GLN 127 far 0 81 0 - 5.5-6.9 QD1 LEU 119 - HG3 PRO 113 far 0 63 0 - 5.8-7.9 QD1 LEU 119 - HG2 PRO 117 far 0 49 0 - 5.8-7.2 QD1 LEU 119 - HG3 PRO 117 far 0 49 0 - 6.4-7.8 QG1 VAL 112 - HG3 PRO 117 far 0 88 0 - 6.9-11.1 QD2 LEU 53 - HB2 GLN 127 far 0 81 0 - 7.2-9.5 QG1 VAL 112 - HG2 PRO 117 far 0 88 0 - 7.4-11.1 QD1 LEU 119 - HG3 PRO 58 far 0 41 0 - 8.0-10.5 QD2 LEU 53 - HG3 PRO 113 far 0 100 0 - 8.1-13.1 QG1 VAL 57 - HG3 PRO 113 far 0 73 0 - 8.1-12.5 QD2 LEU 53 - HG2 PRO 117 far 0 88 0 - 8.3-11.9 QG1 VAL 112 - HG3 PRO 58 far 0 76 0 - 8.5-12.4 QD2 LEU 53 - HG3 PRO 117 far 0 88 0 - 9.0-12.4 QD2 LEU 53 - HG3 PRO 58 far 0 76 0 - 9.1-13.5 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 12 assignments used, quality = 0.98: QG2 ILE 80 + HG3 PRO 81 OK 79 79 100 100 3.1-4.6 11281/2.3=89, ~2478=73...(27) HG13 ILE 80 + HG3 PRO 81 OK 75 75 100 100 4.6-6.7 ~11248=68, ~11178=67...(29) QG1 VAL 133 + HG3 PRO 81 OK 55 74 75 99 2.1-9.6 ~11757=80, 10574=78...(17) QD2 LEU 49 - HB2 GLN 127 poor 9 44 20 - 6.7-9.3 QD1 LEU 122 - HB2 GLN 127 far 3 63 5 - 6.9-10.6 QD1 LEU 122 - HG2 PRO 117 far 0 68 0 - 7.3-9.7 QG2 ILE 129 - HB2 GLN 127 far 0 81 0 - 7.6-8.1 QG1 VAL 133 - HB2 GLN 127 far 0 71 0 - 8.0-11.3 QG2 ILE 129 - HG3 PRO 81 far 0 84 0 - 8.5-11.5 QD1 LEU 122 - HG3 PRO 117 far 0 68 0 - 8.8-11.1 QD2 LEU 22 - HG3 PRO 58 far 0 63 0 - 9.4-39.9 QD2 LEU 49 - HG3 PRO 58 far 0 41 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 10144 from aliabs.peaks (1.16, 2.06, 27.50 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.51: HG3 LYS 39 + HG3 PRO 81 OK 38 84 75 61 4.2-11.8 10567/10575=26...(10) QG2 VAL 132 + HB2 GLN 127 OK 20 63 90 36 7.0-8.7 10442/4079=18...(4) HG2 LYS 39 - HG3 PRO 81 poor 19 55 75 46 3.1-10.2 11680/10574=20...(10) HB3 LEU 62 - HG3 PRO 58 far 3 63 5 - 7.3-10.2 QG2 THR 25 - HG3 PRO 58 far 3 60 5 - 4.8-36.5 QG2 VAL 132 - HG3 PRO 81 far 0 65 0 - 7.9-10.6 QG2 VAL 77 - HG3 PRO 81 far 0 48 0 - 8.2-9.1 QB ALA 41 - HG3 PRO 81 far 0 69 0 - 9.8-14.1 Violated in 5 structures by 0.16 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 7 assignments used, quality = 0.00: HB3 CYS 125 - HB2 GLN 127 poor 16 64 25 - 6.3-8.1 HD3 ARG 135 - HG3 PRO 81 far 4 71 5 - 5.4-12.0 HD2 ARG 84 - HG3 PRO 81 far 2 42 5 - 7.5-12.5 HD3 ARG 84 - HG3 PRO 81 far 0 42 0 - 8.1-12.7 HB3 HIS 4 - HG3 PRO 117 far 0 77 0 - 8.2-77.4 HB3 HIS 4 - HG2 PRO 117 far 0 77 0 - 8.4-75.7 HB2 HIS 5 - HG2 PRO 117 far 0 77 0 - 9.7-71.1 Violated in 12 structures by 0.28 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 4.3-4.7 2.9/7591=98, 11572=96...(10) HA ILE 80 - HA CYS 73 far 0 51 0 - 7.4-9.6 HA ALA 52 - HA PRO 113 far 0 90 0 - 8.3-13.5 HA CYS 79 - HA CYS 73 far 0 50 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 10157 from aliabs.peaks (1.93, 3.88, 45.18 ppm; 6.33 A): 2 out of 6 assignments used, quality = 0.97: HB2 PRO 113 + HA2 GLY 114 OK 90 90 100 100 5.4-6.3 ~7591=92, 7592/2.9=90...(19) HG2 PRO 113 + HA2 GLY 114 OK 70 99 70 100 6.1-7.5 ~7593=83, ~7595=82...(12) HG LEU 53 - HA2 GLY 114 far 5 97 5 - 7.0-15.4 HB2 PRO 58 - HA2 GLY 114 far 0 76 0 - 9.0-17.1 HB2 ARG 90 - HA3 GLY 75 far 0 64 0 - 9.1-12.4 HB3 ARG 90 - HA3 GLY 75 far 0 44 0 - 9.5-12.5 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 5.4-5.7 2.3/10150=99...(18) HB3 LEU 119 + HA3 GLY 114 OK 57 60 95 100 3.9-10.2 3.0/10165=89, ~10160=77...(9) HB3 LEU 123 - HA3 GLY 114 far 0 78 0 - 8.5-15.3 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 2 assignments used, quality = 1.00: QG2 THR 115 + HA2 GLY 114 OK 100 100 100 100 3.8-5.1 2.1/10187=97...(13) HB3 LEU 62 - HA2 GLY 114 far 0 90 0 - 7.9-14.5 Violated in 0 structures by 0.00 A. Peak 10163 from aliabs.peaks (0.94, 3.88, 45.18 ppm; 4.56 A): 3 out of 10 assignments used, quality = 0.92: QD1 LEU 119 + HA2 GLY 114 OK 80 100 80 100 1.9-6.3 10160/2.9=75...(14) QG2 ILE 37 + HA3 GLY 75 OK 50 72 70 100 2.7-6.2 10667/3.5=68...(13) QG1 VAL 112 + HA2 GLY 114 OK 21 68 35 90 4.6-7.1 11544/10187=37...(10) QD2 LEU 53 - HA2 GLY 114 poor 13 65 20 - 4.0-11.4 QD1 LEU 62 - HA2 GLY 114 lone 3 68 45 8 4.3-10.2 3787/2253=4, 10165/1.8=2 QG2 VAL 112 - HA2 GLY 114 far 0 90 0 - 6.6-8.0 QG1 VAL 57 - HA2 GLY 114 far 0 100 0 - 7.0-13.9 QG2 VAL 63 - HA2 GLY 114 far 0 60 0 - 8.7-13.9 QD1 LEU 49 - HA2 GLY 114 far 0 65 0 - 8.9-16.0 QD1 LEU 123 - HA2 GLY 114 far 0 93 0 - 9.0-14.4 Violated in 0 structures by 0.00 A. Peak 10164 from aliabs.peaks (1.12, 4.12, 45.18 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HA3 GLY 114 OK 100 100 100 100 4.8-5.3 11574=97, 7607/7604=84...(11) HB3 LEU 62 - HA3 GLY 114 far 0 85 0 - 8.0-15.8 Violated in 20 structures by 0.32 A. Peak 10165 from aliabs.peaks (0.93, 4.12, 45.18 ppm; 5.27 A): 1 out of 7 assignments used, quality = 0.92: QD1 LEU 119 + HA3 GLY 114 OK 92 97 95 100 1.8-6.9 10160/2.9=92...(12) QD1 LEU 62 - HA3 GLY 114 lone 3 93 45 7 4.0-11.1 10163/1.8=3...(3) QG2 VAL 112 - HA3 GLY 114 far 0 100 0 - 6.7-8.2 QG1 VAL 57 - HA3 GLY 114 far 0 92 0 - 6.7-14.4 QD1 LEU 123 - HA3 GLY 114 far 0 100 0 - 9.1-14.5 QG2 VAL 63 - HA3 GLY 114 far 0 89 0 - 9.5-14.9 QD1 LEU 49 - HA3 GLY 114 far 0 92 0 - 9.5-15.8 Violated in 4 structures by 0.16 A. Peak 10175 from aliabs.peaks (3.89, 4.40, 61.45 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: HA2 GLY 114 + HA THR 115 OK 100 100 100 100 4.3-4.7 7603/3.0=73...(15) Violated in 20 structures by 0.23 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 4.5-5.0 2.9/3638=94...(17) Violated in 0 structures by 0.00 A. Peak 10178 from aliabs.peaks (4.97, 4.27, 69.62 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB THR 115 OK 100 100 100 100 5.5-5.8 2.9/7612=92, 11587=88...(12) Violated in 20 structures by 0.37 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 2.8-3.8 3670/11575=79...(18) 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 0 97 0 - 6.4-9.2 HB2 PRO 113 - HA THR 115 far 0 96 0 - 7.0-8.7 Violated in 20 structures by 1.62 A. Peak 10181 from aliabs.peaks (3.88, 1.13, 21.32 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: HA2 GLY 114 + QG2 THR 115 OK 100 100 100 100 3.8-5.1 10187/2.1=82...(13) HD2 PRO 117 + QG2 THR 115 OK 37 71 65 80 3.7-5.7 3.8/10179=43...(7) HB2 SER 60 - QG2 THR 115 far 0 65 0 - 9.1-14.2 HB3 SER 60 - QG2 THR 115 far 0 65 0 - 9.3-14.1 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 2.4-4.0 7615/4.2=72...(17) HB2 ASN 120 - QG2 THR 115 far 0 60 0 - 8.1-10.3 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 5 assignments used, quality = 0.93: HB VAL 112 + QG2 THR 115 OK 93 93 100 100 1.8-2.4 11497=90, 2.1/11499=86...(18) HB2 GLU 102 - QG2 THR 115 far 0 83 0 - 7.9-13.0 HB VAL 57 - QG2 THR 115 far 0 96 0 - 8.1-11.2 HB3 GLN 61 - QG2 THR 115 far 0 100 0 - 8.7-13.2 HB2 GLN 61 - QG2 THR 115 far 0 100 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 10186 from aliabs.peaks (1.85, 1.13, 21.32 ppm; 4.54 A): 0 out of 1 assignment used, quality = 0.00: HB3 LEU 119 - QG2 THR 115 far 0 78 0 - 5.5-7.6 Violated in 20 structures by 1.93 A. Peak 10187 from aliabs.peaks (3.88, 4.27, 69.62 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.35: HA2 GLY 114 + HB THR 115 OK 35 100 35 99 4.4-5.1 7603/7606=56...(13) HD2 PRO 117 - HB THR 115 far 0 81 0 - 5.7-7.9 Violated in 20 structures by 0.96 A. Peak 10189 from aliabs.peaks (2.06, 4.27, 69.62 ppm; 4.73 A): 1 out of 4 assignments used, quality = 0.71: HG3 PRO 113 + HB THR 115 OK 71 100 75 95 2.4-6.6 11939/3636=61...(8) HG3 PRO 117 - HB THR 115 far 0 99 0 - 7.7-10.2 HG2 PRO 117 - HB THR 115 far 0 99 0 - 8.5-10.2 HB VAL 118 - HB THR 115 far 0 99 0 - 8.6-10.2 Violated in 11 structures by 0.56 A. Peak 10191 from aliabs.peaks (1.38, 4.27, 69.62 ppm; 3.54 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - HB THR 115 far 14 96 15 - 4.1-12.5 QB ALA 108 - HB THR 115 far 0 100 0 - 6.4-12.1 QB ALA 110 - HB THR 115 far 0 99 0 - 7.7-10.4 Violated in 20 structures by 2.16 A. Peak 10192 from aliabs.peaks (0.93, 4.27, 69.62 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.88: QG2 VAL 112 + HB THR 115 OK 74 99 75 100 3.8-5.8 11553/2.1=94...(18) QD1 LEU 119 + HB THR 115 OK 54 99 55 100 4.4-6.9 10296=92, 11623/3636=68...(10) QD1 LEU 62 - HB THR 115 far 0 87 0 - 6.7-10.1 QG1 VAL 57 - HB THR 115 far 0 97 0 - 9.8-14.2 Violated in 9 structures by 0.21 A. Peak 10193 from aliabs.peaks (0.81, 4.27, 69.62 ppm; 5.44 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 119 - HB THR 115 far 12 83 15 - 5.5-8.5 QD1 LEU 103 - HB THR 115 far 0 63 0 - 7.4-12.2 QD1 LEU 53 - HB THR 115 far 0 90 0 - 9.9-15.1 Violated in 19 structures by 1.29 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 1.8-3.0 11499=72, 2.1/11553=48...(19) QD1 LEU 119 + QG2 THR 115 OK 29 63 60 78 2.5-4.5 2.1/10195=39...(10) QD2 LEU 53 - QG2 THR 115 far 0 100 0 - 6.3-10.7 QG1 VAL 57 - QG2 THR 115 far 0 73 0 - 7.9-10.5 QG1 VAL 105 - QG2 THR 115 far 0 95 0 - 9.3-13.9 Violated in 1 structures by 0.00 A. Peak 10195 from aliabs.peaks (0.76, 1.13, 21.32 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.20: QD2 LEU 119 + QG2 THR 115 OK 20 65 35 89 3.5-5.8 ~10296=35, 3.1/10186=29...(12) QD1 LEU 103 - QG2 THR 115 far 0 85 0 - 4.5-9.2 QD2 LEU 103 - QG2 THR 115 far 0 60 0 - 5.3-8.3 QD2 LEU 122 - QG2 THR 115 far 0 73 0 - 7.2-11.4 QG1 VAL 63 - QG2 THR 115 far 0 83 0 - 9.0-12.5 Violated in 19 structures by 1.26 A. Peak 10196 from aliabs.peaks (1.37, 1.13, 21.32 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.57: QB ALA 109 + QG2 THR 115 OK 57 92 80 78 2.0-8.8 10732/11553=31...(9) QB ALA 108 - QG2 THR 115 far 5 99 5 - 3.8-8.5 QB ALA 110 - QG2 THR 115 far 0 97 0 - 4.8-7.3 Violated in 12 structures by 0.67 A. Peak 10200 from aliabs.peaks (2.04, 4.97, 51.55 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: HG2 PRO 117 + HA ASN 116 OK 96 96 100 100 4.1-4.5 2.3/3667=83, 2.3/3670=82...(23) HG3 PRO 117 + HA ASN 116 OK 96 96 100 100 4.3-4.6 2.3/3667=83, 2.3/3670=82...(23) HB VAL 118 - HA ASN 116 poor 14 68 20 - 4.3-5.7 HG3 PRO 113 - HA ASN 116 far 0 87 0 - 6.4-11.1 HB2 LEU 62 - HA ASN 116 far 0 87 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 10201 from aliabs.peaks (2.06, 2.85, 38.65 ppm; 5.15 A): 2 out of 7 assignments used, quality = 1.00: HB VAL 118 + HB2 ASN 116 OK 100 100 100 100 3.5-5.6 10199/7615=58, ~10276=48...(17) HG2 PRO 117 + HB2 ASN 116 OK 68 97 70 100 5.0-6.7 2.3/10207=82, ~10239=64...(29) HG3 PRO 117 - HB2 ASN 116 poor 19 97 20 - 5.5-7.1 HG3 PRO 113 - HB2 ASN 116 far 0 100 0 - 6.2-10.9 HB2 LEU 62 - HB2 ASN 116 far 0 100 0 - 6.4-10.3 HB2 GLU 102 - HB2 ASN 116 far 0 85 0 - 6.9-12.1 HB VAL 57 - HB2 ASN 116 far 0 65 0 - 8.9-13.9 Violated in 3 structures by 0.02 A. Peak 10206 from aliabs.peaks (3.86, 2.85, 38.65 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.9-5.1 4.8=100 HA2 GLY 114 + HB2 ASN 116 OK 26 71 40 93 5.0-7.1 3.6/10173=64...(6) HA LEU 62 - HB2 ASN 116 far 0 78 0 - 9.0-13.1 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 2.9-4.7 4.8=97, 3670/3.0=87...(29) HA2 GLY 111 - HB2 ASN 116 poor 16 78 20 - 4.3-12.3 HB3 SER 107 - HB2 ASN 116 far 15 99 15 - 4.4-13.5 HB2 SER 106 - HB2 ASN 116 far 9 95 10 - 4.6-12.8 HA3 GLY 111 - HB2 ASN 116 far 5 99 5 - 4.4-11.9 HB3 SER 106 - HB2 ASN 116 far 3 68 5 - 5.5-11.5 HD3 PRO 113 - HB2 ASN 116 far 0 89 0 - 5.9-11.3 HA LEU 100 - HB2 ASN 116 far 0 97 0 - 8.7-10.9 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 2.1-4.8 4.8=100 HB2 SER 106 - HB3 ASN 116 poor 19 97 20 - 4.4-12.3 HB3 SER 107 - HB3 ASN 116 far 13 89 15 - 4.4-13.0 HB3 SER 106 - HB3 ASN 116 lone 3 100 25 12 5.6-11.1 10210/3.5=4...(4) HB3 SER 99 - HB3 ASN 116 far 0 81 0 - 7.0-10.7 HA LEU 100 - HB3 ASN 116 far 0 96 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 10209 from aliabs.peaks (4.37, 2.93, 38.65 ppm; 5.25 A): 1 out of 4 assignments used, quality = 0.79: HA PRO 117 + HB3 ASN 116 OK 79 99 80 100 4.8-6.2 3.6/10239=71...(14) HA THR 115 - HB3 ASN 116 poor 18 60 30 - 5.9-6.6 HA PRO 113 - HB3 ASN 116 poor 17 100 30 57 3.8-10.4 11506/10295=48...(3) HA SER 107 - HB3 ASN 116 poor 17 85 20 - 4.1-11.1 Violated in 4 structures by 0.18 A. Peak 10215 from aliabs.peaks (3.85, 2.93, 38.65 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 117 + HB3 ASN 116 OK 100 100 100 100 3.5-5.1 10239=99, 3667/3.0=87...(28) HA LEU 62 - HB3 ASN 116 far 0 90 0 - 9.3-12.5 Violated in 4 structures by 0.05 A. Peak 10224 from aliabs.peaks (1.87, 2.85, 38.65 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.60: HB3 LEU 119 + HB2 ASN 116 OK 60 99 60 100 4.1-9.0 3.0/10294=75...(26) HB3 LEU 123 - HB2 ASN 116 far 0 95 0 - 9.0-12.6 Violated in 12 structures by 1.02 A. Peak 10225 from aliabs.peaks (1.61, 2.85, 38.65 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.85: HG LEU 119 + HB2 ASN 116 OK 85 99 85 100 2.0-7.6 2.1/10227=82...(30) HG LEU 62 - HB2 ASN 116 far 0 60 0 - 6.9-11.2 HG LEU 122 - HB2 ASN 116 far 0 97 0 - 7.6-11.5 HB2 LEU 122 - HB2 ASN 116 far 0 99 0 - 7.7-12.7 Violated in 8 structures by 0.41 A. Peak 10226 from aliabs.peaks (1.38, 2.85, 38.65 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.94: QB ALA 109 + HB2 ASN 116 OK 94 99 95 100 3.1-9.1 10229/7615=92...(11) QB ALA 110 - HB2 ASN 116 poor 20 100 20 - 5.0-11.2 QB ALA 108 - HB2 ASN 116 lone 5 100 60 9 4.0-9.7 10220/3.5=5, 9346/6733=2 Violated in 2 structures by 0.15 A. Peak 10227 from aliabs.peaks (0.95, 2.85, 38.65 ppm; 4.33 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 119 + HB2 ASN 116 OK 98 98 100 100 1.7-4.5 10295/1.8=86, 10294=83...(30) QG1 VAL 112 - HB2 ASN 116 far 13 87 15 - 4.6-7.1 QG2 VAL 112 - HB2 ASN 116 poor 9 73 30 39 4.3-7.2 11553/10184=23...(5) QD2 LEU 53 - HB2 ASN 116 far 0 85 0 - 5.9-10.9 QG1 VAL 57 - HB2 ASN 116 far 0 100 0 - 9.0-13.5 QG1 VAL 105 - HB2 ASN 116 far 0 99 0 - 9.3-13.5 QD1 LEU 123 - HB2 ASN 116 far 0 78 0 - 9.8-13.2 Violated in 1 structures by 0.01 A. Peak 10228 from aliabs.peaks (0.95, 2.93, 38.65 ppm; 4.30 A): 1 out of 6 assignments used, quality = 0.98: QD1 LEU 119 + HB3 ASN 116 OK 98 98 100 100 1.9-3.9 10295=97, 10294/1.8=85...(27) QG2 VAL 112 - HB3 ASN 116 poor 15 73 20 - 3.0-8.4 QG1 VAL 112 - HB3 ASN 116 far 9 87 10 - 4.4-8.2 QD2 LEU 53 - HB3 ASN 116 far 0 85 0 - 6.1-9.8 QG1 VAL 57 - HB3 ASN 116 far 0 100 0 - 9.0-13.4 QG1 VAL 105 - HB3 ASN 116 far 0 99 0 - 9.2-13.5 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 4.4-6.8 2.1/11583=100...(39) QD1 LEU 103 + HA ASN 116 OK 81 90 90 100 4.2-9.1 10265/10276=76...(12) QD1 LEU 122 - HA ASN 116 far 5 98 5 - 7.7-10.7 QD2 LEU 122 - HA ASN 116 far 5 97 5 - 7.7-11.3 QD1 LEU 53 - HA ASN 116 far 0 100 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 10238 from aliabs.peaks (2.83, 3.86, 50.85 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.96: HB2 ASN 116 + HD2 PRO 117 OK 92 92 100 100 3.9-5.1 3.0/3667=78, 4.8=73...(28) HB3 ASN 85 + HD2 PRO 81 OK 49 87 70 80 3.4-7.0 11236/4.0=62, ~9789=16...(7) Violated in 5 structures by 0.05 A. Peak 10239 from aliabs.peaks (2.93, 3.86, 50.85 ppm; 4.63 A): 1 out of 5 assignments used, quality = 1.00: HB3 ASN 116 + HD2 PRO 117 OK 100 100 100 100 3.5-5.1 10215=90, 3.0/3667=85...(28) HE3 LYS 39 - HD2 PRO 81 far 10 97 10 - 5.3-11.2 HE2 LYS 39 - HD2 PRO 81 far 5 97 5 - 4.9-10.3 HE3 LYS 86 - HD2 PRO 81 far 4 76 5 - 4.8-9.8 HD2 ARG 135 - HD2 PRO 81 far 0 95 0 - 5.8-12.8 Violated in 8 structures by 0.09 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 2.9-4.7 4.8=88, 3.0/3670=84...(29) HB2 ASN 116 - HD3 PRO 113 far 0 63 0 - 5.9-11.3 Violated in 2 structures by 0.01 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 2.1-4.8 4.8=95, 3.0/3670=86...(27) HB3 ASN 116 - HD3 PRO 113 far 3 67 5 - 5.4-12.2 Violated in 1 structures by 0.00 A. Peak 10242 from aliabs.peaks (2.80, 2.36, 31.74 ppm; 4.17 A): 0 out of 4 assignments used, quality = 0.00: HB3 ASN 120 - HB2 PRO 117 far 15 100 15 - 4.7-7.4 HB2 ASN 120 - HB2 PRO 117 far 5 100 5 - 4.8-7.4 HB2 ASN 121 - HB2 PRO 117 far 0 100 0 - 5.5-9.1 HB3 ASN 85 - HB VAL 77 far 0 32 0 - 7.3-8.9 Violated in 20 structures by 0.74 A. Peak 10247 from aliabs.peaks (4.98, 4.36, 64.64 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.91: HA ASN 116 + HA PRO 117 OK 91 91 100 100 4.4-4.6 4.8=100 Violated in 0 structures by 0.00 A. Peak 10248 from aliabs.peaks (4.97, 2.36, 31.74 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB2 PRO 117 OK 100 100 100 100 4.8-5.2 3667/3.0=92, 3670/3.0=92...(21) Violated in 4 structures by 0.03 A. Peak 10249 from aliabs.peaks (4.97, 2.01, 31.74 ppm; 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=96, 3670/3.0=95...(21) Violated in 20 structures by 0.22 A. Peak 10252 from aliabs.peaks (0.94, 3.86, 50.85 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.54: QD1 LEU 119 + HD2 PRO 117 OK 54 100 55 99 5.1-6.3 11583/3667=58...(11) QG2 VAL 112 - HD2 PRO 117 far 10 96 10 - 4.5-10.0 QG1 VAL 112 - HD2 PRO 117 far 3 57 5 - 5.3-9.2 QD1 LEU 62 - HD2 PRO 117 far 0 78 0 - 8.1-9.6 QG2 ILE 37 - HD2 PRO 81 far 0 98 0 - 8.9-10.8 Violated in 20 structures by 0.97 A. Peak 10253 from aliabs.peaks (0.83, 3.86, 50.85 ppm; 4.64 A): 3 out of 6 assignments used, quality = 0.99: QG2 ILE 80 + HD2 PRO 81 OK 86 86 100 100 1.9-3.8 4.0=100 HG13 ILE 80 + HD2 PRO 81 OK 80 80 100 100 2.4-4.9 4.1/2478=63...(32) QG1 VAL 133 + HD2 PRO 81 OK 65 95 70 98 2.4-8.1 10574/2.3=80...(14) QG2 ILE 129 - HD2 PRO 81 far 0 96 0 - 7.3-9.8 QD1 LEU 98 - HD2 PRO 117 far 0 63 0 - 8.3-14.2 QD1 LEU 122 - HD2 PRO 117 far 0 71 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 10257 from aliabs.peaks (4.96, 2.05, 27.30 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 116 + HG2 PRO 117 OK 100 100 100 100 4.1-4.5 3667/2.3=77, 3670/2.3=76...(23) HA ASN 116 + HG3 PRO 117 OK 100 100 100 100 4.3-4.6 3667/2.3=77, 3670/2.3=76...(23) HA ASN 116 - HG3 PRO 113 far 0 87 0 - 6.4-11.1 Violated in 11 structures by 0.03 A. Peak 10258 from aliabs.peaks (1.62, 2.06, 31.39 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.93: HG LEU 119 + HB VAL 118 OK 89 100 90 99 3.2-5.8 7654/7648=66...(19) HG LEU 122 + HB VAL 118 OK 36 93 40 95 4.4-8.0 11104/3.0=27, ~11612=19...(23) HB2 LEU 122 - HB VAL 118 far 15 97 15 - 4.9-8.2 HG LEU 62 - HB VAL 118 far 0 68 0 - 7.0-9.5 HB2 LEU 123 - HB VAL 118 far 0 57 0 - 7.9-9.8 HB2 LEU 98 - HB VAL 118 far 0 65 0 - 9.6-10.7 Violated in 1 structures by 0.01 A. Peak 10259 from aliabs.peaks (1.38, 2.06, 31.39 ppm; 4.32 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 108 - HB VAL 118 far 5 100 5 - 4.0-10.5 QB ALA 109 - HB VAL 118 far 5 96 5 - 4.0-9.2 QB ALA 110 - HB VAL 118 far 0 99 0 - 5.4-12.9 HB3 LEU 100 - HB VAL 118 far 0 100 0 - 8.0-9.3 HB2 LEU 96 - HB VAL 118 far 0 100 0 - 9.4-12.6 Violated in 19 structures by 2.02 A. Peak 10260 from aliabs.peaks (1.82, 0.89, 21.66 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.88: HB3 LEU 103 + QG1 VAL 118 OK 71 71 100 100 2.4-4.1 1.8/10261=45...(24) HB3 LEU 122 + QG1 VAL 118 OK 60 63 100 96 2.5-4.1 3.5/11748=45...(25) HB2 LEU 100 - QG1 VAL 118 poor 15 100 35 43 4.0-5.7 7411/11397=18...(8) 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 1.8-2.8 10263/2.1=44...(29) HG LEU 103 + QG1 VAL 118 OK 95 96 100 99 2.1-4.2 ~10265=40, 2.1/11612=35...(25) HB2 LEU 119 - QG1 VAL 118 far 0 68 0 - 4.6-5.7 HG LEU 49 - QG1 VAL 118 far 0 100 0 - 7.3-10.4 HG LEU 123 - QG1 VAL 118 far 0 100 0 - 7.8-8.9 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: QB ALA 108 - QG1 VAL 118 far 5 100 5 - 3.4-9.3 QB ALA 109 - QG1 VAL 118 far 5 100 5 - 4.4-8.8 HB3 LEU 100 - QG1 VAL 118 far 0 98 0 - 4.7-5.8 HB2 LEU 96 - QG1 VAL 118 far 0 100 0 - 5.8-8.6 QB ALA 110 - QG1 VAL 118 far 0 100 0 - 5.8-11.9 HG LEU 96 - QG1 VAL 118 far 0 92 0 - 6.9-8.3 HG3 LYS 95 - QG1 VAL 118 far 0 100 0 - 8.2-10.6 HG2 LYS 95 - QG1 VAL 118 far 0 99 0 - 8.8-11.2 Violated in 19 structures by 1.17 A. Peak 10263 from aliabs.peaks (1.58, 1.00, 22.19 ppm; 3.71 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 103 + QG2 VAL 118 OK 99 99 100 100 2.0-4.1 3.2/10265=63...(39) HG LEU 103 + QG2 VAL 118 OK 26 73 35 100 3.8-5.3 2.1/10265=82...(26) HG LEU 122 - QG2 VAL 118 far 12 81 15 - 4.5-7.1 HB2 LEU 122 - QG2 VAL 118 far 0 71 0 - 4.7-7.5 HG LEU 70 - QG2 VAL 118 far 0 63 0 - 9.6-12.2 HG LEU 123 - QG2 VAL 118 far 0 89 0 - 9.7-10.5 HG LEU 49 - QG2 VAL 118 far 0 97 0 - 10.0-12.9 Violated in 6 structures by 0.04 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 108 - QG2 VAL 118 far 5 100 5 - 1.9-8.8 QB ALA 110 - QG2 VAL 118 far 5 100 5 - 4.4-11.4 QB ALA 109 - QG2 VAL 118 far 5 98 5 - 3.5-8.1 HB3 LEU 100 - QG2 VAL 118 far 0 100 0 - 6.2-7.6 HB2 LEU 96 - QG2 VAL 118 far 0 100 0 - 7.5-10.6 HG3 LYS 95 - QG2 VAL 118 far 0 99 0 - 8.0-11.4 HG LEU 96 - QG2 VAL 118 far 0 85 0 - 8.4-10.3 HG2 LYS 95 - QG2 VAL 118 far 0 97 0 - 8.8-11.8 Violated in 19 structures by 1.67 A. Peak 10265 from aliabs.peaks (0.78, 1.00, 22.19 ppm; 3.13 A): 1 out of 8 assignments used, quality = 0.79: QD1 LEU 103 + QG2 VAL 118 OK 79 100 80 99 1.9-5.0 11612/2.1=31...(37) QD2 LEU 122 - QG2 VAL 118 poor 20 100 20 - 3.4-7.0 QD2 LEU 119 - QG2 VAL 118 poor 20 99 20 - 3.9-6.5 QD1 LEU 122 - QG2 VAL 118 far 4 71 5 - 3.6-6.4 QD1 LEU 96 - QG2 VAL 118 far 0 99 0 - 6.2-8.0 QD1 LEU 53 - QG2 VAL 118 far 0 96 0 - 6.8-10.1 QG1 VAL 63 - QG2 VAL 118 far 0 100 0 - 6.9-8.0 QD2 LEU 49 - QG2 VAL 118 far 0 90 0 - 7.1-9.8 Violated in 8 structures by 0.34 A. Peak 10266 from aliabs.peaks (2.33, 1.00, 22.19 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.50: HG2 GLU 102 + QG2 VAL 118 OK 50 100 50 99 2.4-6.4 1.8/10267=61...(16) HB2 PRO 117 - QG2 VAL 118 far 0 71 0 - 5.0-5.4 Violated in 12 structures by 1.09 A. Peak 10267 from aliabs.peaks (2.50, 1.00, 22.19 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.45: HG3 GLU 102 + QG2 VAL 118 OK 45 100 45 100 2.2-6.0 1.8/10266=86...(17) HG3 GLN 104 - QG2 VAL 118 far 0 60 0 - 7.2-8.8 Violated in 14 structures by 0.83 A. Peak 10268 from aliabs.peaks (2.33, 0.89, 21.66 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.45: HG2 GLU 102 + QG1 VAL 118 OK 45 100 45 100 2.6-7.3 10266/2.1=81...(18) HB2 PRO 117 - QG1 VAL 118 far 0 71 0 - 6.9-7.1 HG2 GLN 127 - QG1 VAL 118 far 0 97 0 - 9.8-12.3 HG3 GLN 68 - QG1 VAL 118 far 0 93 0 - 10.0-13.1 Violated in 15 structures by 1.39 A. Peak 10269 from aliabs.peaks (2.51, 0.89, 21.66 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.45: HG3 GLU 102 + QG1 VAL 118 OK 45 100 45 100 2.8-6.6 1.8/10268=85...(19) HG3 GLN 127 - QG1 VAL 118 far 0 63 0 - 9.6-11.8 Violated in 15 structures by 0.98 A. Peak 10270 from aliabs.peaks (3.98, 1.00, 22.19 ppm; 3.39 A): 1 out of 8 assignments used, quality = 0.87: HB3 SER 99 + QG2 VAL 118 OK 87 93 100 93 2.5-3.9 11475/2.1=45...(13) HB2 SER 106 - QG2 VAL 118 poor 18 89 20 - 2.8-6.9 HB3 SER 106 - QG2 VAL 118 poor 14 100 25 55 3.4-7.0 10096/10265=20...(8) HA LEU 100 - QG2 VAL 118 far 4 85 5 - 4.2-5.6 HB3 SER 107 - QG2 VAL 118 far 4 73 5 - 3.9-10.4 HB3 SER 124 - QG2 VAL 118 far 0 60 0 - 8.9-10.7 HB2 SER 124 - QG2 VAL 118 far 0 99 0 - 9.0-10.4 HA SER 60 - QG2 VAL 118 far 0 68 0 - 9.1-10.8 Violated in 17 structures by 0.20 A. Peak 10271 from aliabs.peaks (4.24, 1.00, 22.19 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.80: HA SER 99 + QG2 VAL 118 OK 80 81 100 100 2.4-3.9 11599/2.1=73...(15) HB THR 115 - QG2 VAL 118 far 0 65 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 10272 from aliabs.peaks (4.39, 1.00, 22.19 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.75: HA PRO 117 + QG2 VAL 118 OK 75 76 100 99 4.6-5.0 2.3/11590=75...(13) HA SER 107 - QG2 VAL 118 far 10 100 10 - 4.9-8.8 HA HIS 5 - QG2 VAL 118 far 0 73 0 - 6.1-56.7 HA PRO 113 - QG2 VAL 118 far 0 78 0 - 7.0-11.6 HA THR 115 - QG2 VAL 118 far 0 96 0 - 7.3-8.7 Violated in 20 structures by 0.62 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 3.6-5.2 10251/7642=91...(16) Violated in 0 structures by 0.00 A. Peak 10290 from aliabs.peaks (2.82, 1.62, 27.00 ppm; 5.25 A): 3 out of 11 assignments used, quality = 0.81: HB3 ASN 120 + HG LEU 119 OK 52 87 60 100 5.1-7.6 11614/3.7=56...(20) HB3 ASP 71 + HG LEU 70 OK 42 84 50 99 4.1-7.9 3.0/11117=63, ~11115=54...(10) HB2 ASN 121 + HG LEU 122 OK 34 49 70 99 3.9-7.3 ~11092=59, 7724/4.6=54...(13) HB3 ASN 85 - HG3 ARG 84 poor 18 54 40 86 5.0-8.0 ~11320=30, 11278=18...(19) HB2 ASN 120 - HG LEU 119 far 14 90 15 - 5.3-8.1 HB3 ASN 85 - HG2 ARG 84 far 6 64 10 - 4.2-8.1 HB3 ASN 120 - HG LEU 122 far 3 54 5 - 6.1-9.9 HB2 ASN 120 - HG LEU 122 far 0 57 0 - 6.3-9.8 HB2 ASN 121 - HG LEU 119 far 0 81 0 - 7.4-10.1 HB3 ASP 71 - HG3 ARG 23 far 0 95 0 - 9.4-30.5 HB3 ASP 64 - HG LEU 70 far 0 77 0 - 10.0-12.7 Violated in 1 structures by 0.01 A. Peak 10291 from aliabs.peaks (2.82, 1.87, 40.68 ppm; 5.50 A): 2 out of 3 assignments used, quality = 0.98: HB2 ASN 120 + HB3 LEU 119 OK 90 90 100 100 3.9-6.2 3.8/7665=84, ~11614=55...(17) HB3 ASN 120 + HB3 LEU 119 OK 82 87 95 100 3.9-6.5 3.8/7665=84...(16) HB2 ASN 121 - HB3 LEU 119 far 4 81 5 - 6.1-8.9 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 = 0.75: HB3 ASN 116 + QD2 LEU 119 OK 75 100 75 100 2.1-6.3 10295/2.1=85, ~10294=60...(27) Violated in 9 structures by 0.47 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 13 87 15 - 2.6-7.4 HB2 ASN 120 - QD2 LEU 119 far 9 90 10 - 2.9-7.4 HB2 ASN 121 - QD2 LEU 119 far 0 81 0 - 6.3-8.9 HB3 ASP 64 - QD2 LEU 119 far 0 89 0 - 9.2-13.2 Violated in 18 structures by 0.64 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 1.7-4.5 1.8/10295=75, 10227=53...(30) Violated in 7 structures by 0.09 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 1.9-3.9 1.8/10294=74, 10228=69...(27) Violated in 4 structures by 0.01 A. Peak 10296 from aliabs.peaks (4.28, 0.94, 25.07 ppm; 3.72 A): 0 out of 5 assignments used, quality = 0.00: HB THR 115 - QD1 LEU 119 far 10 97 10 - 4.4-6.9 HA ALA 110 - QD1 LEU 119 far 0 100 0 - 5.9-11.0 HA ALA 108 - QD1 LEU 119 far 0 100 0 - 6.4-11.9 HA ALA 109 - QD1 LEU 119 far 0 100 0 - 6.9-10.1 HA GLN 61 - QD1 LEU 119 far 0 100 0 - 8.5-10.6 Violated in 20 structures by 1.42 A. Peak 10300 from aliabs.peaks (4.02, 2.80, 37.41 ppm; 4.13 A): 1 out of 13 assignments used, quality = 0.64: HB3 SER 124 + HB2 ASN 120 OK 64 97 70 93 4.5-7.8 10355=75, 3974/11626=55 HD3 PRO 81 - HB3 ASN 85 far 9 63 15 - 3.5-7.6 HB3 SER 124 - HB3 ASN 120 far 5 97 5 - 4.4-6.9 HA LEU 119 - HB3 ASN 120 far 0 100 0 - 5.6-6.5 HA LEU 119 - HB2 ASN 120 far 0 100 0 - 5.6-6.6 HA ARG 135 - HB3 ASN 85 far 0 72 0 - 5.9-8.8 HB3 SER 99 - HB3 ASN 120 far 0 70 0 - 7.3-10.3 HB3 SER 99 - HB2 ASN 120 far 0 71 0 - 7.5-9.5 HA LEU 122 - HB2 ASN 120 far 0 89 0 - 7.5-8.2 HA LEU 122 - HB3 ASN 120 far 0 88 0 - 7.6-8.6 HA SER 50 - HB3 ASN 120 far 0 68 0 - 8.6-10.9 HA SER 50 - HB2 ASN 120 far 0 68 0 - 9.0-10.7 HA LEU 103 - HB3 ASN 120 far 0 98 0 - 9.9-12.6 Violated in 20 structures by 1.01 A. Peak 10301 from aliabs.peaks (2.36, 2.80, 37.41 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.25: HB2 PRO 117 + HB3 ASN 120 OK 25 99 25 100 4.7-7.4 10242=86, 1.8/10302=74...(11) HB2 PRO 117 - HB2 ASN 120 far 5 99 5 - 4.8-7.4 HB VAL 77 - HB3 ASN 85 far 0 46 0 - 7.3-8.9 HG2 GLU 128 - HB3 ASN 85 far 0 48 0 - 8.0-12.1 HG2 GLN 127 - HB2 ASN 120 far 0 81 0 - 8.9-13.0 HG2 GLN 127 - HB3 ASN 120 far 0 80 0 - 9.4-12.9 Violated in 20 structures by 1.20 A. Peak 10302 from aliabs.peaks (2.03, 2.80, 37.41 ppm; 4.20 A): 1 out of 15 assignments used, quality = 0.36: HG3 ARG 135 + HB3 ASN 85 OK 36 73 50 99 3.1-6.8 11785=88, ~9800=29...(12) HG2 PRO 81 - HB3 ASN 85 poor 14 40 70 48 3.7-8.2 ~9789=17, ~9789=14...(6) HB3 PRO 117 - HB3 ASN 120 poor 13 65 20 - 4.5-7.2 HB3 PRO 117 - HB2 ASN 120 far 3 65 5 - 4.2-6.9 HG3 PRO 81 - HB3 ASN 85 far 3 60 5 - 4.6-6.9 HG2 PRO 117 - HB2 ASN 120 far 0 87 0 - 6.1-8.8 HG2 PRO 117 - HB3 ASN 120 far 0 86 0 - 6.4-8.9 HB2 PRO 81 - HB3 ASN 85 far 0 36 0 - 6.4-9.4 HG3 PRO 117 - HB2 ASN 120 far 0 87 0 - 6.7-9.4 HG3 PRO 117 - HB3 ASN 120 far 0 86 0 - 6.7-9.4 HG2 ARG 90 - HB3 ASN 85 far 0 67 0 - 7.7-8.6 HB2 GLN 134 - HB3 ASN 85 far 0 64 0 - 8.4-10.4 HB3 GLU 91 - HB3 ASN 85 far 0 73 0 - 8.7-11.8 HB2 GLN 127 - HB2 ASN 120 far 0 92 0 - 9.2-12.3 HB2 LEU 62 - HB3 ASN 120 far 0 73 0 - 9.3-12.3 Violated in 18 structures by 0.89 A. Peak 10303 from aliabs.peaks (1.86, 2.80, 37.41 ppm; 4.46 A): 4 out of 5 assignments used, quality = 0.93: HB3 LEU 119 + HB3 ASN 120 OK 81 98 85 97 3.9-6.5 7665/3.8=61...(16) HB2 ARG 135 + HB3 ASN 85 OK 34 46 80 91 3.5-6.8 2.9/11785=64...(9) HB3 LEU 123 + HB2 ASN 120 OK 28 92 30 100 4.7-7.0 3927/3.0=56, ~3813=48...(27) HB3 LEU 123 + HB3 ASN 120 OK 23 91 25 100 4.8-7.5 3927/3.0=56, ~3813=48...(27) HB3 LEU 119 - HB2 ASN 120 far 10 99 10 - 3.9-6.2 Violated in 1 structures by 0.01 A. Peak 10305 from aliabs.peaks (1.64, 2.80, 37.41 ppm; 4.59 A): 4 out of 12 assignments used, quality = 0.99: HB2 LEU 123 + HB2 ASN 120 OK 89 99 90 100 4.1-6.2 3813/3.0=72...(27) HB2 LEU 123 + HB3 ASN 120 OK 74 99 75 100 4.6-5.8 3813/3.0=72, ~3927=47...(27) QB ALA 88 + HB3 ASN 85 OK 43 52 85 97 4.2-5.7 2750/3.0=62, 9853/1.8=60...(10) HG LEU 119 + HB3 ASN 120 OK 32 82 40 97 5.1-7.6 3.7/11614=44...(21) HG3 ARG 84 - HB3 ASN 85 poor 18 73 25 - 5.0-8.0 HG2 ARG 84 - HB3 ASN 85 far 7 72 10 - 4.2-8.1 HG LEU 119 - HB2 ASN 120 far 4 83 5 - 5.3-8.1 HD2 LYS 86 - HB3 ASN 85 far 0 63 0 - 6.3-8.2 HD3 LYS 86 - HB3 ASN 85 far 0 67 0 - 6.4-8.6 HG LEU 43 - HB3 ASN 85 far 0 73 0 - 9.0-11.6 HG LEU 62 - HB3 ASN 120 far 0 100 0 - 9.8-12.3 HG LEU 62 - HB2 ASN 120 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10306 from aliabs.peaks (0.89, 2.80, 37.41 ppm; 4.19 A): 2 out of 9 assignments used, quality = 0.47: QD2 LEU 123 + HB2 ASN 120 OK 30 99 30 100 4.1-7.3 11565/3.0=66, ~11631=39...(32) QD2 LEU 123 + HB3 ASN 120 OK 25 98 25 100 4.2-7.7 11565/3.0=66, ~11631=39...(30) QG1 VAL 118 - HB2 ASN 120 far 0 100 0 - 5.7-7.3 QG1 VAL 118 - HB3 ASN 120 far 0 100 0 - 6.1-7.3 QD1 LEU 62 - HB3 ASN 120 far 0 75 0 - 6.3-8.9 QD1 LEU 62 - HB2 ASN 120 far 0 76 0 - 6.3-8.6 QD1 LEU 49 - HB2 ASN 120 far 0 78 0 - 8.1-12.3 QD1 LEU 49 - HB3 ASN 120 far 0 78 0 - 8.4-12.3 QD2 LEU 98 - HB2 ASN 120 far 0 99 0 - 9.5-12.6 Violated in 15 structures by 1.25 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 2.1-5.6 2.1/11222=84...(20) QG2 ILE 80 + HB3 ASN 85 OK 40 40 100 100 1.9-3.9 3.1/11222=71...(20) QD2 LEU 119 - HB3 ASN 120 far 15 100 15 - 2.6-7.4 QD1 LEU 53 - HB2 ASN 120 far 15 100 15 - 4.8-7.8 QD2 LEU 119 - HB2 ASN 120 far 10 100 10 - 2.9-7.4 QD1 LEU 53 - HB3 ASN 120 far 5 99 5 - 5.1-7.5 QD1 LEU 122 - HB2 ASN 120 far 4 87 5 - 5.5-8.9 QD1 LEU 122 - HB3 ASN 120 far 4 86 5 - 5.4-9.2 QD1 LEU 103 - HB3 ASN 120 far 0 99 0 - 6.1-10.5 QD2 LEU 122 - HB3 ASN 120 far 0 100 0 - 6.1-8.8 QD2 LEU 122 - HB2 ASN 120 far 0 100 0 - 6.6-8.8 QD1 LEU 103 - HB2 ASN 120 far 0 99 0 - 6.9-11.2 QD2 LEU 49 - HB3 ASN 120 far 0 98 0 - 8.4-11.4 QD2 LEU 49 - HB2 ASN 120 far 0 98 0 - 8.4-11.4 QD1 LEU 96 - HB2 ASN 120 far 0 92 0 - 8.9-10.7 QD1 LEU 96 - HB3 ASN 120 far 0 91 0 - 9.2-11.0 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 5.5-6.0 ~7724=57, ~7725=56...(18) HB2 LEU 100 - HA ASN 121 far 0 100 0 - 8.5-11.9 HB3 LEU 103 - HA ASN 121 far 0 71 0 - 9.7-12.2 Violated in 2 structures by 0.00 A. Peak 10324 from aliabs.peaks (0.90, 4.48, 56.15 ppm; 5.49 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 118 + HA ASN 121 OK 100 100 100 100 5.3-6.0 11602/3.0=86...(34) QD2 LEU 123 + HA ASN 121 OK 27 92 30 98 5.8-7.3 11565/4.9=69...(8) QD1 LEU 123 + HA ASN 121 OK 24 63 40 94 5.5-6.9 10372/3974=61...(6) QD2 LEU 98 - HA ASN 121 far 0 92 0 - 6.5-9.3 QD1 LEU 49 - HA ASN 121 far 0 92 0 - 7.6-11.3 QD1 LEU 62 - HA ASN 121 far 0 90 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 10325 from aliabs.peaks (2.07, 2.98, 37.82 ppm; 6.17 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 118 + HB3 ASN 121 OK 100 100 100 100 4.6-5.6 3.0/3735=99, 11543=99...(30) HG2 PRO 117 + HB3 ASN 121 OK 82 92 95 94 5.2-7.2 3729/3735=43, ~7958=27...(13) HG3 PRO 117 + HB3 ASN 121 OK 25 92 30 89 6.6-8.7 ~7958=27, ~3710=26...(12) HB2 GLU 102 - HB3 ASN 121 poor 15 92 35 47 6.2-9.0 11695/10327=23...(3) HB2 LEU 62 - HB3 ASN 121 far 0 98 0 - 9.0-10.4 HB2 GLU 128 - HB3 ASN 121 far 0 93 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 10327 from aliabs.peaks (0.98, 2.98, 37.82 ppm; 5.33 A): 2 out of 6 assignments used, quality = 0.80: QG2 VAL 118 + HB3 ASN 121 OK 73 73 100 100 3.7-4.7 3.2/3735=89...(30) QD2 LEU 53 + HB3 ASN 121 OK 25 95 50 53 5.4-9.5 11749/7725=28...(6) QG2 VAL 126 - HB3 ASN 121 far 4 89 5 - 6.2-8.1 QG1 VAL 126 - HB3 ASN 121 far 0 76 0 - 8.5-10.0 QG2 VAL 105 - HB3 ASN 121 far 0 60 0 - 8.9-10.4 QD1 LEU 69 - HB3 ASN 121 far 0 60 0 - 10.0-13.5 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 13 assignments used, quality = 0.97: HB3 LEU 100 + QD2 LEU 122 OK 88 99 90 99 3.3-6.4 3.0/11489=25...(52) HB2 LEU 96 + QD2 LEU 122 OK 57 100 65 88 2.0-6.5 3.0/3901=15, 3067/3.9=15...(48) HG LEU 96 + QD2 LEU 122 OK 37 90 55 75 3.7-6.7 3.7/3901=12, 3089=11...(26) QB ALA 108 - QD2 LEU 122 far 0 100 0 - 5.6-13.2 HB2 LEU 96 - QD1 LEU 53 far 0 84 0 - 6.0-10.3 QB ALA 109 - QD2 LEU 122 far 0 99 0 - 6.4-12.2 HG3 LYS 95 - QD2 LEU 122 far 0 100 0 - 6.8-10.1 HG2 LYS 95 - QD2 LEU 122 far 0 99 0 - 7.3-10.2 HG LEU 96 - QD1 LEU 53 far 0 70 0 - 7.4-12.6 HB3 LEU 100 - QD1 LEU 53 far 0 80 0 - 7.5-12.3 QB ALA 110 - QD2 LEU 122 far 0 100 0 - 8.1-14.2 QB ALA 109 - QD1 LEU 53 far 0 82 0 - 8.7-15.3 QB ALA 108 - QD1 LEU 53 far 0 84 0 - 9.7-15.3 Violated in 1 structures by 0.00 A. Peak 10338 from aliabs.peaks (0.66, 0.97, 25.20 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.65: QD2 LEU 62 + QD2 LEU 53 OK 65 97 85 80 1.7-6.0 10038/1679=35...(10) QD2 LEU 100 - QD2 LEU 53 far 9 95 10 - 3.8-9.9 QD1 ILE 129 - QD2 LEU 53 far 0 92 0 - 7.5-11.1 Violated in 5 structures by 0.37 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 48 far 2 49 5 - 4.5-7.5 QD2 LEU 62 - QD1 LEU 123 far 0 98 0 - 5.4-7.0 QD1 ILE 129 - QD1 LEU 123 far 0 89 0 - 6.4-7.8 QD2 LEU 100 - QD1 LEU 48 far 0 47 0 - 6.7-9.9 QD2 LEU 100 - QD1 LEU 123 far 0 97 0 - 6.9-9.7 QD1 LEU 43 - QD1 LEU 48 far 0 48 0 - 7.9-10.1 QD1 ILE 129 - QD1 LEU 48 far 0 41 0 - 8.2-11.6 QD1 LEU 43 - QD1 LEU 123 far 0 97 0 - 8.9-11.3 Violated in 20 structures by 1.19 A. Peak 10348 from aliabs.peaks (0.68, 0.88, 25.15 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.33: QD2 LEU 62 + QD2 LEU 123 OK 33 100 70 47 3.6-5.9 10038/11846=16...(6) QD2 LEU 100 - QD2 LEU 123 far 0 100 0 - 6.3-9.2 QD1 ILE 129 - QD2 LEU 123 far 0 60 0 - 6.6-9.2 QD1 LEU 43 - QD2 LEU 123 far 0 100 0 - 9.5-12.6 Violated in 13 structures by 0.49 A. Peak 10349 from aliabs.peaks (4.29, 0.88, 25.15 ppm; 5.06 A): 0 out of 2 assignments used, quality = 0.00: HA ASP 131 - QD2 LEU 123 far 0 95 0 - 9.6-12.3 HA GLN 61 - QD2 LEU 123 far 0 90 0 - 9.7-13.2 Violated in 20 structures by 4.80 A. Peak 10350 from aliabs.peaks (4.32, 0.73, 25.24 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.92: HA ASN 59 + QD2 LEU 103 OK 92 97 95 100 2.1-5.1 9362=55, 3.0/11829=53...(26) HA LEU 69 - QD2 LEU 103 far 0 73 0 - 9.9-13.5 Violated in 2 structures by 0.06 A. Peak 10355 from aliabs.peaks (2.80, 4.01, 62.31 ppm; 4.49 A): 1 out of 5 assignments used, quality = 0.84: HB2 ASN 120 + HB3 SER 124 OK 84 100 85 99 4.5-7.8 10300=96, 11626/3974=66 HB3 ASN 120 - HB3 SER 124 far 5 100 5 - 4.4-6.9 HB2 ASN 121 - HB3 SER 124 far 0 100 0 - 5.7-7.1 HB3 ASN 120 - HA SER 50 far 0 61 0 - 8.6-10.9 HB2 ASN 120 - HA SER 50 far 0 61 0 - 9.0-10.7 Violated in 20 structures by 0.66 A. Peak 10371 from aliabs.peaks (1.61, 4.01, 62.31 ppm; 4.95 A): 0 out of 5 assignments used, quality = 0.00: HB2 LEU 122 - HA SER 50 far 0 61 0 - 6.2-10.6 HB2 LEU 122 - HB3 SER 124 far 0 100 0 - 6.9-8.8 HG LEU 122 - HB3 SER 124 far 0 99 0 - 7.0-10.0 HG LEU 122 - HA SER 50 far 0 59 0 - 7.3-10.6 HG LEU 119 - HA SER 50 far 0 55 0 - 9.1-11.8 Violated in 20 structures by 1.47 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 11422/11636=58...(18) QD2 LEU 49 - HA SER 50 far 7 47 15 - 4.8-6.0 QD2 LEU 122 - HA SER 50 far 3 59 5 - 4.5-9.5 QD1 LEU 122 - HA SER 50 far 0 33 0 - 5.2-9.1 QD1 LEU 53 - HB3 SER 124 far 0 93 0 - 5.3-7.9 QD1 LEU 122 - HB3 SER 124 far 0 65 0 - 6.1-9.0 QD2 LEU 122 - HB3 SER 124 far 0 99 0 - 6.5-8.3 QD2 LEU 119 - HA SER 50 far 0 56 0 - 7.1-9.6 QD1 LEU 96 - HA SER 50 far 0 59 0 - 7.3-9.8 QD1 LEU 96 - HB3 SER 124 far 0 99 0 - 7.4-8.9 QD2 LEU 119 - HB3 SER 124 far 0 97 0 - 7.5-10.4 QD2 LEU 49 - HB3 SER 124 far 0 87 0 - 7.6-10.5 QD1 LEU 103 - HA SER 50 far 0 61 0 - 9.1-11.9 QD1 LEU 103 - HB3 SER 124 far 0 100 0 - 9.2-13.0 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 2.4-3.8 10444/3986=53...(22) HG LEU 96 - HA CYS 125 far 0 78 0 - 6.8-7.7 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 6.1-6.2 ~11603=72, ~10386=70...(23) QG2 VAL 126 + HA CYS 125 OK 96 96 100 100 4.8-5.3 10386/3.0=91...(20) QD1 LEU 123 + HA CYS 125 OK 39 71 85 65 5.9-6.9 10365/2.9=34, ~11574=32 QD2 LEU 53 - HA CYS 125 far 0 90 0 - 8.1-10.3 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: QD2 LEU 122 - HA CYS 125 far 15 100 15 - 5.0-8.3 QD1 LEU 96 - HA CYS 125 far 0 93 0 - 5.5-6.1 QD1 LEU 122 - HA CYS 125 far 0 85 0 - 6.2-8.3 QD2 LEU 49 - HA CYS 125 far 0 97 0 - 7.0-9.3 QD1 LEU 53 - HA CYS 125 far 0 99 0 - 7.2-9.3 QD1 LEU 70 - HA CYS 125 far 0 71 0 - 8.9-10.6 Violated in 20 structures by 0.52 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 3.3-4.2 10383/3.0=81...(23) QD1 LEU 42 - HA CYS 125 far 0 96 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10380 from aliabs.peaks (1.41, 2.73, 26.80 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.95: QB ALA 92 + HB2 CYS 125 OK 81 87 95 98 3.1-5.1 10376/3.0=54, 11396=52...(16) HG LEU 96 + HB2 CYS 125 OK 75 93 80 100 4.5-5.2 2.1/9986=73, ~9987=52...(25) HG2 LYS 95 - HB2 CYS 125 far 4 76 5 - 4.9-7.3 HG3 LYS 95 - HB2 CYS 125 far 0 68 0 - 5.3-7.6 Violated in 3 structures by 0.04 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 3.5-4.2 11684=93, 11683/1.8=78...(21) QG1 VAL 126 - HB2 CYS 125 far 0 100 0 - 5.5-6.0 QD2 LEU 53 - HB2 CYS 125 far 0 100 0 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 10382 from aliabs.peaks (0.78, 2.73, 26.80 ppm; 3.62 A): 2 out of 8 assignments used, quality = 0.98: QD1 LEU 96 + HB2 CYS 125 OK 97 97 100 100 3.3-4.3 9986=70, 9987/1.8=63...(26) QD2 LEU 122 + HB2 CYS 125 OK 34 100 35 97 3.5-7.1 3.1/11595=32...(18) QD1 LEU 122 - HB2 CYS 125 far 0 76 0 - 4.8-6.9 QD1 LEU 53 - HB2 CYS 125 far 0 97 0 - 5.9-10.1 QD2 LEU 49 - HB2 CYS 125 far 0 93 0 - 6.1-8.6 QD1 LEU 70 - HB2 CYS 125 far 0 60 0 - 7.0-8.6 QD1 LEU 103 - HB2 CYS 125 far 0 100 0 - 8.7-11.1 QD2 LEU 119 - HB2 CYS 125 far 0 99 0 - 9.9-11.7 Violated in 14 structures by 0.18 A. Peak 10383 from aliabs.peaks (0.65, 2.73, 26.80 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 129 + HB2 CYS 125 OK 100 100 100 100 2.6-5.0 10388/1.8=75...(19) QD2 LEU 100 - HB2 CYS 125 far 0 65 0 - 7.0-9.2 QD2 LEU 62 - HB2 CYS 125 far 0 71 0 - 8.9-10.9 QD1 LEU 42 - HB2 CYS 125 far 0 87 0 - 9.2-10.9 Violated in 2 structures by 0.03 A. Peak 10384 from aliabs.peaks (2.09, 3.20, 26.80 ppm; 4.73 A): 2 out of 5 assignments used, quality = 0.96: HB VAL 126 + HB3 CYS 125 OK 93 93 100 100 4.4-5.5 2.1/10386=85, ~10381=60...(19) HB2 GLU 128 + HB3 CYS 125 OK 47 93 50 100 4.9-6.4 3986/3.0=72, ~4095=41...(17) HG3 GLU 91 - HB3 CYS 125 far 0 100 0 - 6.9-10.4 HB VAL 118 - HB3 CYS 125 far 0 60 0 - 9.0-12.2 HB2 GLU 102 - HB3 CYS 125 far 0 95 0 - 9.7-13.0 Violated in 2 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 = 0.97: HB2 LEU 96 + HB3 CYS 125 OK 93 93 100 100 2.0-4.1 3.2/9987=68...(34) HG LEU 96 + HB3 CYS 125 OK 60 100 60 100 4.5-5.6 2.1/9987=82, 2.1/9989=67...(24) HG2 LYS 95 - HB3 CYS 125 far 0 99 0 - 6.3-7.9 HB3 LEU 100 - HB3 CYS 125 far 0 81 0 - 6.5-10.2 HG3 LYS 95 - HB3 CYS 125 far 0 98 0 - 6.6-8.1 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 7 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 - 5.4-5.8 QD1 LEU 49 - HB3 CYS 125 far 0 57 0 - 5.7-8.2 QD1 LEU 123 - HB3 CYS 125 far 0 89 0 - 6.0-7.0 QD2 LEU 53 - HB3 CYS 125 far 0 73 0 - 6.3-10.1 QD1 LEU 62 - HB3 CYS 125 far 0 60 0 - 8.4-11.4 QD1 LEU 119 - HB3 CYS 125 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10387 from aliabs.peaks (0.78, 3.20, 26.80 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 96 + HB3 CYS 125 OK 98 99 100 100 3.3-4.1 9987=74, 9986/1.8=60...(25) QD2 LEU 122 + HB3 CYS 125 OK 53 100 55 96 2.5-6.9 3.1/11656=41...(18) QD1 LEU 122 - HB3 CYS 125 poor 18 71 25 - 4.0-6.4 QD2 LEU 49 - HB3 CYS 125 far 0 90 0 - 5.2-8.0 QD1 LEU 53 - HB3 CYS 125 far 0 96 0 - 5.4-8.9 QD1 LEU 103 - HB3 CYS 125 far 0 100 0 - 8.1-11.7 QD2 LEU 119 - HB3 CYS 125 far 0 99 0 - 8.5-11.9 Violated in 8 structures by 0.06 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 3.0-5.0 11716=94, 10383/1.8=82...(17) QD2 LEU 100 - HB3 CYS 125 far 0 65 0 - 6.6-8.6 QD2 LEU 62 - HB3 CYS 125 far 0 71 0 - 8.4-10.5 QD1 LEU 42 - HB3 CYS 125 far 0 87 0 - 8.7-11.1 Violated in 10 structures by 0.07 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 4.7-4.8 5.0=100 HA ILE 129 + HA CYS 125 OK 79 83 95 100 6.3-7.4 4.2/10379=79...(13) Violated in 0 structures by 0.00 A. Peak 10393 from aliabs.peaks (3.86, 0.96, 22.63 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.43: HA LEU 123 + QG1 VAL 126 OK 43 99 50 87 3.7-5.0 4008/2.1=46...(11) HB3 SER 50 - QG1 VAL 126 far 4 78 5 - 3.9-6.9 HA LEU 70 - QG1 VAL 126 far 0 73 0 - 6.1-7.3 HA LEU 62 - QG1 VAL 126 far 0 78 0 - 7.2-8.3 HA GLU 40 - QG1 VAL 126 far 0 65 0 - 9.4-11.1 Violated in 20 structures by 0.90 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 98 2.8-3.6 2.9/4020=43...(21) HA SER 50 - QG1 VAL 126 far 5 97 5 - 4.1-6.4 HA THR 65 - QG1 VAL 126 far 0 92 0 - 6.3-7.7 HB2 SER 124 - QG1 VAL 126 far 0 100 0 - 7.6-8.0 HA LEU 100 - QG1 VAL 126 far 0 81 0 - 7.6-9.7 HB3 SER 51 - QG1 VAL 126 far 0 100 0 - 7.7-9.6 HB3 SER 124 - QG1 VAL 126 far 0 65 0 - 7.7-8.2 HA GLN 68 - QG1 VAL 126 far 0 89 0 - 7.7-9.2 HB3 SER 99 - QG1 VAL 126 far 0 96 0 - 8.2-9.9 Violated in 8 structures by 0.03 A. Peak 10395 from aliabs.peaks (4.35, 0.96, 22.63 ppm; 4.65 A): 2 out of 5 assignments used, quality = 0.94: HA ASP 47 + QG1 VAL 126 OK 89 93 100 96 4.1-5.2 3.0/11686=51...(8) HA LEU 69 + QG1 VAL 126 OK 41 100 70 58 4.9-6.4 10901/10409=22...(5) HA CYS 125 - QG1 VAL 126 far 0 100 0 - 6.1-6.2 HA CYS 73 - QG1 VAL 126 far 0 68 0 - 7.3-9.1 HA GLN 134 - QG1 VAL 126 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10396 from aliabs.peaks (3.87, 0.96, 24.06 ppm; 3.71 A): 2 out of 5 assignments used, quality = 0.96: HA LEU 123 + QG2 VAL 126 OK 81 85 100 95 2.9-4.3 10393/2.1=72...(9) HA ALA 46 + QG2 VAL 126 OK 78 78 100 100 3.6-4.4 2.1/11616=66, ~9175=50...(18) HA LEU 70 - QG2 VAL 126 far 0 97 0 - 4.8-6.9 HB3 SER 50 - QG2 VAL 126 far 0 98 0 - 6.2-8.6 HB2 SER 94 - QG2 VAL 126 far 0 60 0 - 9.2-9.9 Violated in 1 structures by 0.00 A. Peak 10397 from aliabs.peaks (4.01, 0.96, 24.06 ppm; 4.04 A): 1 out of 10 assignments used, quality = 0.64: HA LEU 122 + QG2 VAL 126 OK 64 68 100 94 2.9-4.5 11604/2.1=32...(17) HA SER 50 - QG2 VAL 126 far 0 89 0 - 5.3-7.7 HB3 SER 99 - QG2 VAL 126 far 0 90 0 - 5.7-7.4 HA LEU 119 - QG2 VAL 126 far 0 96 0 - 6.0-7.6 HB2 SER 124 - QG2 VAL 126 far 0 73 0 - 6.4-7.3 HB3 SER 124 - QG2 VAL 126 far 0 100 0 - 6.9-7.6 HA GLN 68 - QG2 VAL 126 far 0 97 0 - 7.4-8.6 HA LYS 95 - QG2 VAL 126 far 0 97 0 - 7.6-8.2 HA GLU 44 - QG2 VAL 126 far 0 63 0 - 9.2-10.2 HA LEU 103 - QG2 VAL 126 far 0 100 0 - 9.5-11.2 Violated in 4 structures by 0.06 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 SER 124 - QG2 VAL 126 poor 18 90 20 - 5.8-6.7 HA HIS 67 - QG2 VAL 126 lone 0 83 35 1 5.6-7.7 HA SER 99 - QG2 VAL 126 far 0 100 0 - 7.7-8.6 HA SER 94 - QG2 VAL 126 far 0 97 0 - 7.7-8.6 HA SER 51 - QG2 VAL 126 far 0 97 0 - 9.2-11.1 Violated in 14 structures by 0.14 A. Peak 10401 from aliabs.peaks (0.80, 3.43, 67.09 ppm; 4.01 A): 4 out of 8 assignments used, quality = 0.97: QD1 LEU 96 + HA VAL 126 OK 75 76 100 99 3.2-4.1 2.1/11807=52, 11452=39...(24) QG2 ILE 129 + HA VAL 126 OK 63 63 100 100 3.9-4.8 2.1/4007=65...(26) QD2 LEU 49 + HA VAL 126 OK 54 100 55 98 4.2-6.9 11613/3.2=64...(14) QD2 LEU 122 + HA VAL 126 OK 21 97 25 88 3.9-7.9 1676/3.2=20, ~10405=18...(27) QD1 LEU 122 - HA VAL 126 far 5 97 5 - 4.8-7.4 QD1 LEU 53 - HA VAL 126 far 0 100 0 - 5.5-9.7 QD1 LEU 70 - HA VAL 126 far 0 90 0 - 6.9-8.7 QD1 LEU 103 - HA VAL 126 far 0 92 0 - 9.9-12.2 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 2.0-3.2 11639=90, 10489/3.2=62...(25) QD1 LEU 42 - HA VAL 126 far 0 87 0 - 6.6-7.7 QD2 LEU 100 - HA VAL 126 far 0 65 0 - 7.3-9.2 QD1 LEU 43 - HA VAL 126 far 0 68 0 - 8.7-10.3 QD2 LEU 62 - HA VAL 126 far 0 71 0 - 8.9-10.0 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 3.8-4.5 11616/3.2=98...(16) HB2 LEU 96 + HA VAL 126 OK 63 63 100 100 3.4-4.7 3.2/11452=92...(30) HB3 LEU 100 - HA VAL 126 far 0 81 0 - 8.0-10.9 HB2 LEU 42 - HA VAL 126 far 0 81 0 - 9.2-10.0 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 4.4-5.1 10491/10402=88...(15) HG LEU 96 + HA VAL 126 OK 71 71 100 100 5.1-5.7 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 1.9-5.0 2.1/10402=99...(27) HG LEU 100 - HA VAL 126 far 0 83 0 - 7.0-8.7 HB2 LEU 48 - HA VAL 126 far 0 68 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10407 from aliabs.peaks (0.79, 2.11, 31.38 ppm; 3.78 A): 5 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HB VAL 126 OK 89 97 95 97 2.2-4.7 11613/2.1=63, ~11682=40...(12) QD1 LEU 96 + HB VAL 126 OK 86 93 100 93 3.9-4.4 11452/3.0=38, 11453=34...(15) QD1 LEU 122 + HB VAL 126 OK 44 85 65 80 2.7-6.3 11681/2.1=19, ~11677=14...(18) QD1 LEU 53 + HB VAL 126 OK 36 99 60 60 3.1-7.6 9218/11668=34...(9) QD2 LEU 122 + HB VAL 126 OK 26 100 35 74 2.3-6.8 1676/2.1=23, ~11677=14...(13) QD1 LEU 103 - HB VAL 126 far 0 99 0 - 8.1-10.7 QD1 LEU 70 - HB VAL 126 far 0 71 0 - 8.2-10.0 QD2 LEU 119 - HB VAL 126 far 0 100 0 - 8.7-10.1 QG1 VAL 63 - HB VAL 126 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10409 from aliabs.peaks (1.34, 0.96, 22.63 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + QG1 VAL 126 OK 100 100 100 100 1.8-2.5 9175=94, 11616/2.1=40...(22) Violated in 0 structures by 0.00 A. Peak 10410 from aliabs.peaks (0.66, 0.96, 22.63 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.92: QD1 ILE 129 + QG1 VAL 126 OK 92 92 100 100 3.2-4.6 10489/2.1=69...(31) QD2 LEU 100 - QG1 VAL 126 far 0 95 0 - 5.5-7.4 QD2 LEU 62 - QG1 VAL 126 far 0 97 0 - 5.9-7.1 QD1 LEU 43 - QG1 VAL 126 far 0 96 0 - 6.6-8.1 Violated in 17 structures by 0.49 A. Peak 10435 from aliabs.peaks (0.91, 2.34, 33.53 ppm; 4.10 A): 1 out of 14 assignments used, quality = 0.97: QD1 LEU 123 + HG2 GLN 127 OK 97 97 100 100 1.9-3.7 11638=95, 10437/1.8=87...(19) QD1 LEU 49 - HG2 GLN 127 lone 2 100 25 10 3.1-7.3 9209/11609=4...(3) QD1 LEU 22 - HG2 GLN 27 far 0 60 0 - 5.5-15.6 QD1 LEU 22 - HG3 GLN 27 far 0 59 0 - 6.0-16.6 QG2 VAL 20 - HG3 GLN 27 far 0 74 0 - 6.1-14.8 QG2 VAL 20 - HG2 GLN 27 far 0 74 0 - 6.7-14.2 QG1 VAL 20 - HG3 GLN 27 far 0 95 0 - 7.1-15.0 QD1 LEU 48 - HG2 GLN 127 far 0 100 0 - 7.9-11.1 QG1 VAL 20 - HG2 GLN 27 far 0 95 0 - 8.0-14.2 QD1 LEU 48 - HG2 GLN 27 far 0 96 0 - 8.3-26.5 QD1 LEU 62 - HG2 GLN 127 far 0 100 0 - 8.4-11.8 QD2 LEU 48 - HG2 GLN 127 far 0 85 0 - 8.6-10.1 QD1 LEU 48 - HG3 GLN 27 far 0 95 0 - 9.0-27.0 QG1 VAL 118 - HG2 GLN 127 far 0 81 0 - 9.8-12.3 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 18 assignments used, quality = 0.99: QD1 LEU 123 + HB2 GLN 127 OK 98 98 100 100 2.6-4.6 10437/3.0=64...(16) QG1 VAL 57 + HG3 PRO 58 OK 44 44 100 100 4.1-4.4 9309/2.3=44, ~9306=44...(21) QD1 LEU 49 - HB2 GLN 127 far 5 100 5 - 4.7-8.6 QG2 VAL 112 - HG3 PRO 113 far 0 79 0 - 5.2-5.6 QD1 LEU 119 - HG3 PRO 113 far 0 57 0 - 5.8-7.9 QD1 LEU 62 - HG3 PRO 58 far 0 75 0 - 6.1-8.2 QD1 LEU 22 - HG3 PRO 58 far 0 38 0 - 6.9-41.9 QG2 VAL 63 - HG3 PRO 58 far 0 74 0 - 7.4-8.5 QD1 LEU 62 - HG3 PRO 113 far 0 81 0 - 7.5-10.7 QG2 VAL 112 - HG3 PRO 58 far 0 73 0 - 7.6-12.5 QD1 LEU 119 - HG3 PRO 58 far 0 52 0 - 8.0-10.5 QG1 VAL 57 - HG3 PRO 113 far 0 48 0 - 8.1-12.5 QD2 LEU 48 - HG3 PRO 58 far 0 54 0 - 8.7-10.4 QD1 LEU 48 - HG3 PRO 58 far 0 73 0 - 9.4-11.7 QD1 LEU 62 - HB2 GLN 127 far 0 100 0 - 9.4-13.7 QD1 LEU 49 - HG3 PRO 58 far 0 75 0 - 9.8-13.2 QG1 VAL 118 - HG3 PRO 113 far 0 55 0 - 9.8-13.2 QD1 LEU 48 - HB2 GLN 127 far 0 99 0 - 9.8-13.2 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 6 assignments used, quality = 0.99: QD1 LEU 123 + HG3 GLN 127 OK 99 99 100 100 1.8-3.4 11637=80, 11579/1.8=68...(19) QD1 LEU 49 - HG3 GLN 127 far 15 99 15 - 2.8-8.0 QD1 LEU 48 - HG3 GLN 127 far 0 97 0 - 8.1-11.5 QD2 LEU 48 - HG3 GLN 127 far 0 73 0 - 8.3-10.3 QD1 LEU 62 - HG3 GLN 127 far 0 99 0 - 8.4-12.5 QG1 VAL 118 - HG3 GLN 127 far 0 68 0 - 9.6-11.8 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 3.6-4.9 11697/4111=70...(13) QG1 VAL 132 - HA GLU 128 far 0 99 0 - 6.1-7.5 HB3 LEU 62 - HA HIS 67 far 0 44 0 - 8.6-10.3 Violated in 1 structures by 0.02 A. Peak 10443 from aliabs.peaks (0.83, 4.19, 59.09 ppm; 4.73 A): 1 out of 9 assignments used, quality = 0.39: QD1 LEU 70 + HA HIS 67 OK 39 39 100 100 1.9-5.2 2.1/11089=69, 11102=66...(19) QD1 LEU 122 - HA HIS 67 far 5 32 15 - 5.0-8.6 QD2 LEU 49 - HA HIS 67 far 0 22 0 - 5.7-7.4 QG2 ILE 129 - HA GLU 128 far 0 100 0 - 6.1-6.1 QG1 VAL 133 - HA GLU 128 far 0 95 0 - 6.5-9.1 QG2 ILE 32 - HA HIS 67 far 0 40 0 - 8.2-17.0 QD2 LEU 49 - HA GLU 128 far 0 60 0 - 8.4-11.0 QG2 ILE 129 - HA HIS 67 far 0 46 0 - 8.6-10.3 QD1 LEU 122 - HA GLU 128 far 0 83 0 - 9.1-12.0 Violated in 9 structures by 0.14 A. Peak 10444 from aliabs.peaks (1.43, 2.08, 28.58 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: QB ALA 92 + HB2 GLU 128 OK 100 100 100 100 1.9-3.9 10446/3.0=69...(16) HG3 LYS 24 - HB2 GLN 61 far 0 54 0 - 6.7-42.6 HG3 LYS 36 - HB3 GLU 44 far 0 37 0 - 6.8-11.6 HG2 LYS 86 - HB3 GLN 82 far 0 56 0 - 7.0-8.5 HG2 LYS 26 - HB3 GLU 44 far 0 74 0 - 9.7-32.9 HG3 LYS 24 - HB3 GLU 44 far 0 58 0 - 9.8-33.1 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 13 assignments used, quality = 0.98: QB ALA 92 + HB3 GLU 128 OK 93 93 100 100 1.9-4.2 10444/1.8=83...(14) HG LEU 96 + HB3 GLU 97 OK 68 68 100 100 3.3-4.9 11461/1.8=82, ~11809=50...(40) HG13 ILE 32 - HB2 GLN 68 far 0 46 0 - 6.7-20.1 QB ALA 109 - HB3 GLU 102 far 0 61 0 - 7.0-11.0 HG2 LYS 95 - HB3 GLU 128 far 0 65 0 - 7.8-10.3 QB ALA 92 - HB3 GLU 97 far 0 74 0 - 8.3-9.3 HG2 LYS 95 - HB3 GLU 97 far 0 49 0 - 8.4-10.4 HG2 LYS 26 - HB2 GLN 68 far 0 43 0 - 8.6-30.3 HG LEU 96 - HB3 GLU 128 far 0 87 0 - 8.8-11.1 HG LEU 96 - HB2 GLN 68 far 0 40 0 - 9.2-11.9 QB ALA 16 - HB3 GLU 97 far 0 56 0 - 9.3-33.8 QB ALA 34 - HB2 GLN 68 far 0 53 0 - 9.5-13.4 HG LEU 96 - HB3 GLU 102 far 0 85 0 - 9.8-13.0 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 1.9-3.2 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 99 100 100 1.9-4.0 10446/1.8=70, 9949=48...(16) Violated in 3 structures by 0.05 A. Peak 10449 from aliabs.peaks (2.87, 2.42, 34.22 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASP 131 + HG3 GLU 128 OK 99 100 100 100 3.8-5.4 4086/4111=71...(13) HE3 LYS 95 - HG3 GLU 128 far 0 100 0 - 6.3-11.1 HE2 LYS 95 - HG3 GLU 128 far 0 100 0 - 6.6-11.4 Violated in 13 structures by 0.26 A. Peak 10450 from aliabs.peaks (2.77, 2.42, 34.22 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.65: HB2 ASP 131 + HG3 GLU 128 OK 65 100 65 100 4.2-6.7 1.8/10449=88...(12) HB2 CYS 73 - HG3 GLU 128 far 0 60 0 - 8.1-12.3 Violated in 19 structures by 0.73 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 2.8-6.5 2.9/4116=89...(21) HA VAL 126 + HG3 GLU 128 OK 70 78 90 99 5.1-7.7 5.0/11698=67...(9) Violated in 1 structures by 0.01 A. Peak 10453 from aliabs.peaks (8.27, 0.65, 14.48 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: H LEU 96 + QD1 ILE 129 OK 99 100 100 99 3.8-4.3 9982=70, 7311/10461=47...(16) H VAL 126 + QD1 ILE 129 OK 99 99 100 100 3.6-4.7 2.9/11639=66...(33) H ASP 131 - QD1 ILE 129 far 0 100 0 - 5.1-6.0 H LEU 69 - QD1 ILE 129 far 0 65 0 - 6.5-9.0 H LEU 123 - QD1 ILE 129 far 0 100 0 - 7.3-8.7 H SER 99 - QD1 ILE 129 far 0 83 0 - 7.7-8.5 H LEU 49 - QD1 ILE 129 far 0 60 0 - 8.2-10.6 H LEU 43 - QD1 ILE 129 far 0 90 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 10454 from aliabs.peaks (8.46, 0.65, 14.48 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.76: H VAL 93 + QD1 ILE 129 OK 76 76 100 100 2.5-3.2 2.9/10461=71...(17) H VAL 132 - QD1 ILE 129 far 14 95 15 - 5.0-6.1 H LEU 70 - QD1 ILE 129 far 0 100 0 - 5.4-8.0 H ASP 47 - QD1 ILE 129 far 0 100 0 - 7.8-9.4 H LEU 100 - QD1 ILE 129 far 0 63 0 - 7.8-8.9 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 3.7-4.3 3.0/10491=96...(26) H ALA 88 - QD1 ILE 129 far 0 90 0 - 7.1-8.8 H GLN 68 - QD1 ILE 129 far 0 78 0 - 8.3-11.1 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 4.0-5.2 10457/4163=82...(19) Violated in 5 structures by 0.09 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 99 1.9-2.8 11891/10486=44...(27) QE PHE 89 - QG2 ILE 80 far 0 87 0 - 5.2-6.4 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...(22) QE PHE 89 + HA VAL 77 OK 85 85 100 100 3.1-4.3 9676/3.2=99, 9671/3.0=99...(26) 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 3.1-4.6 2.2/10458=97...(24) QD PHE 89 + HA VAL 77 OK 86 86 100 100 2.3-4.0 9677/3.2=100...(27) 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 1.9-2.4 9966=82, 2919/10487=61...(38) HD3 ARG 135 - QD1 ILE 129 far 0 83 0 - 7.8-11.0 HB3 PHE 87 - QD1 ILE 129 far 0 83 0 - 8.9-10.3 HB2 PHE 87 - QD1 ILE 129 far 0 65 0 - 9.2-10.8 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 4 assignments used, quality = 0.00: HB2 CYS 45 - QD1 ILE 129 far 0 99 0 - 7.5-9.5 HD2 ARG 135 - QD1 ILE 129 far 0 100 0 - 8.0-10.7 HE3 LYS 86 - QD1 ILE 129 far 0 63 0 - 8.9-11.7 HE2 LYS 39 - QD1 ILE 129 far 0 100 0 - 9.4-12.7 Violated in 20 structures by 1.29 A. Peak 10463 from aliabs.peaks (2.74, 0.65, 14.48 ppm; 4.23 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 125 + QD1 ILE 129 OK 97 97 100 100 2.6-5.0 10383=81, 1.8/10388=67...(19) HB2 CYS 73 + QD1 ILE 129 OK 87 100 90 97 3.7-5.3 9959/10487=67...(16) HB2 ASP 131 - QD1 ILE 129 far 0 65 0 - 6.1-7.8 HB2 TYR 76 - QD1 ILE 129 far 0 76 0 - 7.0-9.4 HB2 ASP 47 - QD1 ILE 129 far 0 73 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10467 from aliabs.peaks (3.78, 0.65, 14.48 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.83: HA ARG 90 + QD1 ILE 129 OK 83 85 100 97 4.6-5.1 9900/10487=49...(12) HB3 SER 130 - QD1 ILE 129 far 5 99 5 - 5.2-6.6 HA SER 130 - QD1 ILE 129 far 0 99 0 - 5.7-6.0 HA GLU 97 - QD1 ILE 129 far 0 87 0 - 6.6-7.4 HA LEU 43 - QD1 ILE 129 far 0 100 0 - 7.1-8.1 HA VAL 133 - QD1 ILE 129 far 0 96 0 - 7.5-8.7 HB2 SER 99 - QD1 ILE 129 far 0 85 0 - 7.7-9.3 Violated in 20 structures by 0.50 A. Peak 10468 from aliabs.peaks (4.07, 0.65, 14.48 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.99: HA ALA 92 + QD1 ILE 129 OK 93 93 100 100 3.6-4.0 2.1/10491=89...(32) HA PHE 89 + QD1 ILE 129 OK 79 89 90 99 3.3-5.1 2897/10491=56...(21) HA LEU 96 - QD1 ILE 129 poor 18 92 20 - 4.7-5.4 HA LEU 122 - QD1 ILE 129 far 0 60 0 - 5.6-6.9 HB2 SER 74 - QD1 ILE 129 far 0 95 0 - 7.8-10.0 HB3 SER 74 - QD1 ILE 129 far 0 98 0 - 8.2-10.4 HB THR 65 - QD1 ILE 129 far 0 100 0 - 9.9-11.7 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 7 assignments used, quality = 0.76: HA CYS 125 + QD1 ILE 129 OK 76 76 100 100 3.3-4.2 3.0/10383=71...(23) HA LEU 69 - QD1 ILE 129 far 0 92 0 - 6.0-8.2 HA ASP 131 - QD1 ILE 129 far 0 71 0 - 7.4-8.3 HA ASP 47 - QD1 ILE 129 far 0 100 0 - 8.3-9.9 HA TYR 76 - QD1 ILE 129 far 0 68 0 - 9.1-10.5 HA2 GLY 75 - QD1 ILE 129 far 0 99 0 - 9.8-11.5 HA GLN 134 - QD1 ILE 129 far 0 83 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10470 from aliabs.peaks (3.79, 3.45, 66.06 ppm; 6.19 A): 6 out of 8 assignments used, quality = 1.00: HA SER 130 + HA ILE 129 OK 92 92 100 100 4.7-4.9 11861/10566=74, ~7883=70...(20) HB3 SER 130 + HA ILE 129 OK 90 90 100 100 5.6-6.3 10507/3.0=71, ~10503=64...(16) HA ARG 90 + HA VAL 77 OK 80 80 100 100 6.0-6.8 11192/2401=98...(14) HA ARG 90 + HA ILE 129 OK 72 97 75 100 6.3-7.6 10467/4123=84...(8) HA VAL 133 + HA ILE 129 OK 70 83 85 100 6.4-7.3 3.2/10566=97...(17) HA VAL 133 + HA VAL 77 OK 32 65 50 97 6.1-7.6 9726/9725=88...(8) HA LEU 43 - HA ILE 129 far 0 97 0 - 7.4-8.4 HA SER 130 - HA VAL 77 far 0 74 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 10471 from aliabs.peaks (3.89, 3.45, 66.06 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.98: HA LYS 86 + HA VAL 77 OK 86 86 100 100 3.6-4.3 9818/3.2=100...(23) HA3 GLY 75 + HA VAL 77 OK 84 84 100 100 6.5-7.6 ~11147=72, ~9603=67...(9) HA LYS 86 - HA ILE 129 far 0 100 0 - 7.7-8.9 HA ALA 46 - HA ILE 129 far 0 99 0 - 8.1-9.3 HA LEU 70 - HA ILE 129 far 0 100 0 - 8.2-10.2 HA LEU 70 - HA VAL 77 far 0 85 0 - 9.0-10.7 HB2 SER 94 - HA ILE 129 far 0 95 0 - 9.7-11.0 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 3.1-4.0 3.1/10459=96...(24) HA CYS 79 + HA VAL 77 OK 86 86 100 100 6.2-6.4 2.9/9702=98, 3.6/9712=91...(15) HA PHE 89 + HA VAL 77 OK 71 71 100 100 6.0-7.2 3.1/9667=85, ~9677=80...(23) HA ILE 80 + HA VAL 77 OK 61 61 100 100 4.4-5.3 3.0/9712=96, 4.2/9725=91...(20) HA ILE 80 - HA ILE 129 far 0 78 0 - 9.6-11.7 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 7 assignments used, quality = 1.00: HA CYS 125 + HA ILE 129 OK 100 100 100 100 6.3-7.4 10376/10478=91...(13) HA CYS 73 + HA VAL 77 OK 71 73 100 98 4.4-5.9 11145/9666=64...(12) HA ASP 78 + HA VAL 77 OK 59 59 100 100 4.7-4.8 3.6/9702=94...(28) HA CYS 73 + HA ILE 129 OK 49 90 55 99 6.7-7.8 11145/10458=65...(11) HA LEU 69 - HA ILE 129 far 0 95 0 - 7.9-11.8 HA GLN 134 - HA ILE 129 far 0 99 0 - 9.1-9.9 HA ASP 47 - HA ILE 129 far 0 73 0 - 9.9-11.5 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 3.1-3.7 9946/3.2=83...(23) HG2 LYS 86 + HA VAL 77 OK 76 76 100 100 2.9-3.6 11742/2401=83...(34) QB ALA 34 - HA VAL 77 far 0 77 0 - 8.2-12.9 QB ALA 92 - HA VAL 77 far 0 86 0 - 8.4-9.2 HG2 LYS 86 - HA ILE 129 far 0 93 0 - 9.5-10.7 HG3 LYS 19 - HA VAL 77 far 0 81 0 - 9.6-35.4 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 11 assignments used, quality = 1.00: QB ALA 92 + QG2 ILE 129 OK 100 100 100 100 3.5-4.5 9946=99, 10491/4163=85...(31) HG2 LYS 86 + QG2 ILE 80 OK 81 81 100 100 2.3-3.5 9720/3.1=66, 3.0/9821=52...(37) HG13 ILE 32 + QG2 ILE 32 OK 55 55 100 100 2.6-3.2 3.2=100 QB ALA 34 + QG2 ILE 32 OK 43 51 85 98 2.5-5.7 6364/6362=61...(12) HG2 LYS 26 + QG2 ILE 32 OK 20 54 40 93 2.7-13.4 ~10833=37, 3.6/10757=30...(21) HG3 LYS 19 - QG2 ILE 32 far 2 48 5 - 3.8-18.6 HG LEU 96 - QG2 ILE 129 far 0 65 0 - 5.3-7.2 HG3 LYS 24 - QG2 ILE 32 far 0 35 0 - 7.1-19.4 HG2 LYS 86 - QG2 ILE 129 far 0 97 0 - 7.4-8.3 QB ALA 92 - QG2 ILE 80 far 0 86 0 - 8.2-9.2 QB ALA 34 - QG2 ILE 80 far 0 82 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 10482 from aliabs.peaks (1.02, 0.82, 16.85 ppm; 3.20 A): 2 out of 5 assignments used, quality = 0.77: QD1 LEU 69 + QG2 ILE 129 OK 53 89 65 92 2.1-5.0 11039/10486=36...(17) QG2 VAL 133 + QG2 ILE 129 OK 51 89 60 95 2.5-5.0 10587/10486=38...(23) QG2 VAL 133 - QG2 ILE 80 far 0 72 0 - 5.1-6.9 QD1 LEU 69 - QG2 ILE 32 far 0 44 0 - 6.8-13.5 QD1 LEU 69 - QG2 ILE 80 far 0 72 0 - 8.6-11.2 Violated in 9 structures by 0.16 A. Peak 10483 from aliabs.peaks (1.43, 0.75, 30.23 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 92 + HG12 ILE 129 OK 100 100 100 100 1.9-4.0 10491/2.1=98...(22) HG LEU 96 - HG12 ILE 129 far 0 63 0 - 5.8-7.5 HG2 LYS 86 - HG12 ILE 129 far 0 96 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 10485 from aliabs.peaks (0.27, 3.45, 66.06 ppm; 5.24 A): 4 out of 4 assignments used, quality = 1.00: QG2 VAL 93 + HA ILE 129 OK 92 92 100 100 3.5-4.6 9967/4.2=73...(26) QD1 ILE 80 + HA ILE 129 OK 88 99 90 100 5.2-6.6 10588/10566=77...(16) QD1 ILE 80 + HA VAL 77 OK 83 83 100 100 1.7-2.2 9649/2401=92, 9725=91...(40) QG2 VAL 93 + HA VAL 77 OK 70 74 95 99 5.5-6.2 9969/2401=72...(12) Violated in 0 structures by 0.00 A. Peak 10486 from aliabs.peaks (0.56, 0.82, 16.85 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.97: QD2 LEU 42 + QG2 ILE 129 OK 97 100 100 98 1.8-3.0 9081=48, 2.1/9083=37...(22) QD2 LEU 42 - QG2 ILE 80 far 0 86 0 - 5.9-7.9 QD2 LEU 42 - QG2 ILE 32 far 0 54 0 - 8.6-12.4 Violated in 0 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 1.8-2.5 9967=93, 2919/10461=42...(37) QD1 ILE 80 - QD1 ILE 129 far 0 63 0 - 5.6-7.1 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 1.8-3.3 9967/2.1=100...(22) QD1 ILE 80 - HG13 ILE 129 poor 17 85 20 - 5.6-8.1 Violated in 0 structures by 0.00 A. Peak 10489 from aliabs.peaks (0.99, 0.65, 14.48 ppm; 3.41 A): 1 out of 4 assignments used, quality = 0.73: QG2 VAL 126 + QD1 ILE 129 OK 73 73 100 99 3.1-4.0 2.1/10410=49...(33) QD1 LEU 69 - QD1 ILE 129 poor 20 78 25 - 3.6-6.5 QD2 LEU 53 - QD1 ILE 129 far 0 83 0 - 7.5-11.1 QG2 VAL 118 - QD1 ILE 129 far 0 89 0 - 9.4-11.3 Violated in 17 structures by 0.38 A. Peak 10490 from aliabs.peaks (1.14, 0.65, 14.48 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 129 OK 100 100 100 100 3.4-4.7 11737=95, 9947/10491=65...(24) QG1 VAL 132 - QD1 ILE 129 far 5 99 5 - 4.8-6.3 HG3 LYS 39 - QD1 ILE 129 far 0 68 0 - 9.6-11.3 Violated in 6 structures by 0.10 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 1.7-2.0 9944=80, 11317/2.1=46...(28) HG2 LYS 86 - QD1 ILE 129 far 0 93 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 10492 from aliabs.peaks (2.24, 0.65, 14.48 ppm; 3.88 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 96 + QD1 ILE 129 OK 100 100 100 100 2.7-3.5 3.8/9982=41, 11454=39...(31) HB3 GLU 128 + QD1 ILE 129 OK 46 95 50 97 2.9-5.3 1.8/11714=47...(14) HG2 GLU 97 - QD1 ILE 129 far 0 100 0 - 5.5-8.0 HB3 GLN 127 - QD1 ILE 129 far 0 78 0 - 6.0-7.0 HB3 GLU 97 - QD1 ILE 129 far 0 71 0 - 6.6-8.3 HG2 GLN 68 - QD1 ILE 129 far 0 60 0 - 7.6-11.7 HB2 GLN 68 - QD1 ILE 129 far 0 68 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 10493 from aliabs.peaks (2.40, 0.65, 14.48 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.81: HG3 GLU 128 + QD1 ILE 129 OK 73 73 100 100 2.0-5.5 9949/10491=80...(14) HG3 GLU 97 + QD1 ILE 129 OK 29 100 30 97 5.6-7.6 1.8/10012=52...(9) Violated in 1 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 - 8.2-11.2 Violated in 20 structures by 3.03 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 5.0-6.2 7910/3.9=86, ~4180=57...(14) H ASP 47 + HB3 SER 130 OK 89 90 100 99 4.4-6.7 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 11 assignments used, quality = 0.84: HB ILE 129 + HB2 SER 130 OK 73 76 100 97 4.0-5.5 4.6/7889=60...(10) HB2 GLN 127 + HB2 SER 50 OK 39 71 60 91 4.8-7.0 4.5/10419=34...(13) HB2 GLN 134 - HB2 SER 130 far 5 100 5 - 5.6-8.6 HB2 GLN 127 - HB2 SER 130 far 0 76 0 - 6.0-8.5 HB2 GLU 44 - HB2 SER 130 far 0 100 0 - 7.4-10.5 HB ILE 129 - HB2 SER 50 far 0 71 0 - 7.5-11.1 HG3 ARG 135 - HB2 SER 130 far 0 99 0 - 8.1-12.1 HB3 GLU 55 - HB2 SER 50 far 0 86 0 - 8.3-12.0 HB3 GLU 40 - HB2 SER 130 far 0 100 0 - 9.8-11.7 HB2 GLU 44 - HB2 SER 50 far 0 98 0 - 9.9-12.9 HG3 PRO 81 - HB2 SER 130 far 0 73 0 - 9.9-16.4 Violated in 4 structures by 0.02 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 3.7-5.5 10503/1.8=79...(12) HB2 GLN 134 - HB3 SER 130 far 5 100 5 - 5.6-8.8 HG3 ARG 135 - HB3 SER 130 far 0 93 0 - 8.1-11.6 HB2 GLU 44 - HB3 SER 130 far 0 100 0 - 8.6-11.1 Violated in 0 structures by 0.00 A. Peak 10508 from aliabs.peaks (1.33, 3.77, 62.38 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 46 + HB3 SER 130 OK 98 99 100 99 1.9-3.9 11718/1.8=71...(13) 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 2.3-3.5 11805/1.8=78...(31) HG12 ILE 129 - HB3 SER 130 far 0 99 0 - 5.0-7.8 QD2 LEU 96 - HB3 SER 130 far 0 100 0 - 7.0-8.4 QD1 LEU 96 - HB3 SER 130 far 0 85 0 - 8.0-9.1 QG1 VAL 93 - HB3 SER 130 far 0 100 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 10514 from aliabs.peaks (2.07, 2.77, 40.78 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.53: HB2 GLU 128 + HB2 ASP 131 OK 34 97 35 100 5.2-6.9 3.0/4195=79...(15) HG3 GLN 134 + HB2 ASP 131 OK 29 99 30 98 4.3-8.2 ~4194=37, ~4194=37...(16) HB2 GLN 127 - HB2 ASP 131 poor 16 81 50 41 4.6-7.8 4079/4195=26...(5) HB3 LYS 39 - HB2 TYR 76 far 0 96 0 - 6.4-9.3 HG3 PRO 81 - HB2 TYR 76 far 0 80 0 - 9.1-12.2 HG3 GLU 91 - HB2 ASP 131 far 0 78 0 - 9.4-11.5 HB3 GLU 44 - HB2 TYR 76 far 0 99 0 - 9.5-13.6 Violated in 17 structures by 0.64 A. Peak 10515 from aliabs.peaks (2.39, 2.86, 40.78 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.63: HG3 GLU 128 + HB3 ASP 131 OK 63 63 100 100 3.8-5.4 3.9/4086=99, ~11730=84...(13) Violated in 0 structures by 0.00 A. Peak 10516 from aliabs.peaks (2.29, 2.86, 40.78 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.98: HB VAL 132 + HB3 ASP 131 OK 98 98 100 100 4.9-5.3 2.1/10518=86...(14) Violated in 20 structures by 0.54 A. Peak 10517 from aliabs.peaks (2.06, 2.86, 40.78 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.86: HB2 GLU 128 + HB3 ASP 131 OK 68 85 80 100 4.9-6.1 3.0/4086=86...(14) HG3 ARG 135 + HB3 ASP 131 OK 37 60 80 78 3.5-7.5 10525/7915=48...(6) HG3 GLN 134 + HB3 ASP 131 OK 32 92 35 99 4.4-8.4 ~4194=42, ~4194=42...(15) HB2 GLN 127 - HB3 ASP 131 far 5 95 5 - 5.8-8.7 Violated in 2 structures by 0.02 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 2.9-3.5 11138/1.8=67...(21) QG1 VAL 132 - HB3 ASP 131 far 10 97 10 - 4.7-5.7 HG2 LYS 39 - HB3 ASP 131 far 0 100 0 - 9.9-11.8 HG3 LYS 39 - HB3 ASP 131 far 0 78 0 - 10.0-11.4 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 3.8-4.4 3.0/7915=93...(13) HA ILE 129 + HB3 ASP 131 OK 78 78 100 99 4.9-5.4 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; 5.56 A): 2 out of 5 assignments used, quality = 0.97: HA SER 130 + HB3 ASP 131 OK 89 89 100 100 5.7-6.1 3.6/7904=95...(12) HB3 SER 130 + HB3 ASP 131 OK 73 87 85 99 5.1-6.7 4.6/7904=82...(13) HB2 SER 130 - HB3 ASP 131 far 9 57 15 - 5.7-7.1 HA VAL 133 - HB3 ASP 131 far 0 78 0 - 7.2-8.0 HA LEU 43 - HB3 ASP 131 far 0 95 0 - 8.4-9.8 Violated in 2 structures by 0.00 A. Peak 10521 from aliabs.peaks (3.48, 2.76, 40.83 ppm; 6.69 A): 3 out of 5 assignments used, quality = 1.00: HA LEU 42 + HB2 TYR 76 OK 95 96 100 99 5.0-7.0 4.1/9617=90...(5) HA VAL 132 + HB2 ASP 131 OK 86 86 100 100 4.3-5.6 3.0/7914=100...(16) HA ILE 129 + HB2 ASP 131 OK 63 63 100 100 5.4-6.9 5.0/4085=89...(13) HA ILE 129 - HB2 TYR 76 far 3 65 5 - 7.4-10.6 HA VAL 132 - HB2 TYR 76 far 0 89 0 - 10.0-13.1 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 1.8-3.9 11783=99, 1.8/10527=76...(27) HB2 GLN 134 - HA VAL 132 far 0 95 0 - 5.6-7.3 HG2 PRO 81 - HA VAL 132 far 0 65 0 - 6.9-11.9 HG3 PRO 81 - HA VAL 132 far 0 90 0 - 7.2-10.9 HB3 GLU 91 - HA VAL 132 far 0 100 0 - 9.3-11.5 HB2 PRO 81 - HA VAL 132 far 0 58 0 - 9.6-13.5 HB2 GLN 127 - HA VAL 132 far 0 92 0 - 9.7-12.2 HG2 ARG 90 - HA VAL 132 far 0 97 0 - 9.8-11.1 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 1.8-5.1 10019=94, 1.8/11783=80...(25) HD2 LYS 39 - HA VAL 132 far 0 90 0 - 8.9-12.2 HD3 LYS 39 - HA VAL 132 far 0 85 0 - 9.2-11.4 Violated in 1 structures by 0.04 A. Peak 10528 from aliabs.peaks (2.76, 3.50, 66.53 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASP 131 + HA VAL 132 OK 97 97 100 100 4.3-5.6 7914/3.0=89...(16) HB2 TYR 76 - HA VAL 132 far 0 99 0 - 10.0-13.1 Violated in 12 structures by 0.17 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 2.0-4.7 10636=85, 1.8/10530=73...(21) HE2 LYS 39 - HA VAL 132 far 0 100 0 - 7.5-11.4 HE3 LYS 39 - HA VAL 132 far 0 100 0 - 8.0-12.5 HE3 LYS 86 - HA VAL 132 far 0 60 0 - 9.4-12.0 Violated in 3 structures by 0.04 A. Peak 10530 from aliabs.peaks (3.24, 3.50, 66.53 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.97: HD3 ARG 135 + HA VAL 132 OK 97 97 100 100 2.3-4.7 10635=92, 1.8/10529=81...(21) HB2 PHE 87 - HA VAL 132 far 0 89 0 - 8.5-10.0 HB3 PHE 87 - HA VAL 132 far 0 97 0 - 8.9-10.1 Violated in 1 structures by 0.02 A. Peak 10531 from aliabs.peaks (0.81, 1.13, 22.78 ppm; 3.84 A): 4 out of 12 assignments used, quality = 0.99: QG2 ILE 80 + QG1 VAL 132 OK 88 99 90 99 3.4-4.9 3.1/11656=61...(30) HG13 ILE 80 + QG1 VAL 132 OK 79 100 80 98 3.3-5.9 2.1/11656=77, ~9722=36...(29) QG2 ILE 129 + QG2 VAL 132 OK 59 59 100 99 3.3-4.1 3.0/10490=54...(29) QG2 ILE 129 + QG1 VAL 132 OK 40 90 45 99 4.4-5.0 ~10490=31, ~11737=31...(28) QG2 ILE 80 - QG2 VAL 132 far 0 70 0 - 5.6-6.9 HG13 ILE 80 - QG2 VAL 132 far 0 71 0 - 5.9-7.8 QD2 LEU 122 - QG2 VAL 132 far 0 49 0 - 8.5-11.8 QD1 LEU 70 - QG2 VAL 132 far 0 71 0 - 8.6-11.1 QD2 LEU 49 - QG2 VAL 132 far 0 66 0 - 8.7-11.1 QD1 LEU 70 - QG1 VAL 132 far 0 100 0 - 9.4-12.1 QD1 LEU 122 - QG2 VAL 132 far 0 72 0 - 9.6-11.7 QD1 LEU 53 - QG2 VAL 132 far 0 61 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 10532 from aliabs.peaks (0.81, 2.28, 31.42 ppm; 5.10 A): 3 out of 12 assignments used, quality = 0.99: QG2 ILE 129 + HB VAL 132 OK 90 90 100 100 3.3-4.3 3.2/4126=74, ~10490=57...(18) HG13 ILE 80 + HB VAL 132 OK 79 100 80 99 4.8-7.1 ~11738=75, ~11656=75...(14) QG2 ILE 80 + HB VAL 132 OK 39 99 40 99 5.2-6.8 ~11738=60, ~11656=60...(13) QD2 LEU 119 - HB3 PRO 113 poor 16 65 25 - 4.0-8.5 QD1 LEU 103 - HB VAL 105 far 0 32 0 - 6.9-9.0 QG1 VAL 63 - HB VAL 105 far 0 33 0 - 7.4-8.7 QD1 LEU 103 - HB3 PRO 113 far 0 49 0 - 7.4-13.4 QD1 LEU 53 - HB3 PRO 113 far 0 72 0 - 8.4-13.9 QD1 LEU 70 - HB VAL 105 far 0 58 0 - 8.5-14.1 QD2 LEU 122 - HB VAL 105 far 0 39 0 - 9.4-13.5 QD2 LEU 119 - HB VAL 105 far 0 44 0 - 9.5-13.9 QD1 LEU 122 - HB VAL 105 far 0 59 0 - 9.7-12.9 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 = 1.00: QB ALA 88 + QG1 VAL 132 OK 99 100 100 99 1.8-2.3 9861=50, 9861/2.1=35...(27) QB ALA 88 + QG2 VAL 132 OK 71 72 100 98 1.9-2.7 9861=49, 9861/2.1=36...(26) HG3 ARG 84 - QG1 VAL 132 far 0 81 0 - 4.6-7.6 HG2 ARG 84 - QG1 VAL 132 far 0 73 0 - 4.9-7.7 HG3 ARG 84 - QG2 VAL 132 far 0 51 0 - 6.3-10.0 HG2 ARG 84 - QG2 VAL 132 far 0 46 0 - 6.6-9.9 HD3 LYS 86 - QG1 VAL 132 far 0 99 0 - 7.3-8.2 HD2 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.4-8.0 HD2 LYS 95 - QG2 VAL 132 far 0 70 0 - 7.5-10.5 HD3 LYS 95 - QG2 VAL 132 far 0 72 0 - 7.5-10.5 HG LEU 43 - QG2 VAL 132 far 0 56 0 - 7.8-9.1 HG LEU 43 - QG1 VAL 132 far 0 87 0 - 7.9-9.5 HD2 LYS 39 - QG1 VAL 132 far 0 87 0 - 8.7-10.3 HD2 LYS 95 - QG1 VAL 132 far 0 99 0 - 8.9-12.0 HB2 LEU 69 - QG2 VAL 132 far 0 66 0 - 9.0-11.8 HD3 LYS 95 - QG1 VAL 132 far 0 100 0 - 9.1-11.7 HD2 LYS 39 - QG2 VAL 132 far 0 56 0 - 9.2-11.3 HD3 LYS 86 - QG2 VAL 132 far 0 69 0 - 9.5-10.2 HD2 LYS 86 - QG2 VAL 132 far 0 71 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 14 assignments used, quality = 1.00: HG3 ARG 135 + QG1 VAL 132 OK 99 99 100 100 2.1-4.6 11783/3.2=59...(41) HG3 ARG 135 + QG2 VAL 132 OK 66 69 95 100 3.6-5.5 11783/3.2=59, ~10527=38...(43) HG3 PRO 81 - QG1 VAL 132 far 0 98 0 - 5.5-8.1 HB3 GLU 91 - QG2 VAL 132 far 0 69 0 - 5.6-7.3 HB3 GLU 91 - QG1 VAL 132 far 0 99 0 - 5.9-7.7 HG2 ARG 90 - QG1 VAL 132 far 0 87 0 - 5.9-7.0 HB2 GLN 134 - QG2 VAL 132 far 0 53 0 - 6.3-8.0 HB2 GLN 134 - QG1 VAL 132 far 0 83 0 - 6.6-8.0 HG2 ARG 90 - QG2 VAL 132 far 0 56 0 - 6.7-7.8 HB2 GLN 127 - QG2 VAL 132 far 0 69 0 - 7.0-8.7 HB2 PRO 81 - QG1 VAL 132 far 0 64 0 - 7.8-10.1 HG3 PRO 81 - QG2 VAL 132 far 0 68 0 - 7.9-10.6 HB2 GLN 127 - QG1 VAL 132 far 0 99 0 - 9.5-11.2 HB2 PRO 81 - QG2 VAL 132 far 0 39 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 10535 from aliabs.peaks (2.71, 1.13, 22.78 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.83: HB2 ASN 85 + QG1 VAL 132 OK 83 83 100 100 1.8-3.9 1.8/11743=54...(22) HB2 ASN 85 - QG2 VAL 132 poor 19 53 35 - 4.2-6.5 HB2 CYS 73 - QG2 VAL 132 far 0 36 0 - 6.7-8.4 HB2 CYS 73 - QG1 VAL 132 far 0 60 0 - 7.0-8.7 HB2 CYS 125 - QG2 VAL 132 far 0 51 0 - 7.0-8.7 HB2 CYS 125 - QG1 VAL 132 far 0 81 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 10536 from aliabs.peaks (2.89, 1.13, 22.78 ppm; 4.21 A): 0 out of 4 assignments used, quality = 0.00: HE2 LYS 95 - QG2 VAL 132 far 0 48 0 - 7.3-10.7 HE3 LYS 95 - QG2 VAL 132 far 0 44 0 - 7.6-10.2 HE2 LYS 95 - QG1 VAL 132 far 0 76 0 - 8.6-11.8 HE3 LYS 95 - QG1 VAL 132 far 0 71 0 - 9.1-11.1 Violated in 20 structures by 3.21 A. Peak 10537 from aliabs.peaks (3.30, 1.13, 22.78 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.96: HB2 PHE 89 + QG1 VAL 132 OK 93 93 100 100 1.9-3.8 2.7/10546=42...(33) HB2 PHE 89 + QG2 VAL 132 OK 49 62 80 99 3.5-5.0 ~11650=27, ~11943=27...(28) HB3 CYS 73 - QG2 VAL 132 far 0 70 0 - 6.7-8.7 HB3 CYS 73 - QG1 VAL 132 far 0 99 0 - 7.1-9.3 Violated in 2 structures by 0.01 A. Peak 10538 from aliabs.peaks (3.78, 1.13, 22.78 ppm; 3.98 A): 1 out of 10 assignments used, quality = 0.97: HA VAL 133 + QG1 VAL 132 OK 97 97 100 100 3.3-4.4 9726/11656=54...(34) HA SER 130 - QG2 VAL 132 far 0 70 0 - 4.9-5.7 HA VAL 133 - QG2 VAL 132 far 0 66 0 - 5.1-5.4 HA SER 130 - QG1 VAL 132 far 0 99 0 - 5.8-6.8 HB3 SER 130 - QG2 VAL 132 far 0 70 0 - 5.9-6.9 HA ARG 90 - QG2 VAL 132 far 0 53 0 - 6.0-7.0 HA ARG 90 - QG1 VAL 132 far 0 83 0 - 6.1-7.3 HB3 SER 130 - QG1 VAL 132 far 0 99 0 - 7.6-8.3 HA LEU 43 - QG2 VAL 132 far 0 72 0 - 7.9-8.7 HA LEU 43 - QG1 VAL 132 far 0 100 0 - 8.9-9.8 Violated in 10 structures by 0.08 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 2.4-3.7 3.0/10537=39...(36) HA PHE 89 + QG2 VAL 132 OK 66 66 100 100 2.1-3.2 2897/9947=44, 9873=33...(34) HA ILE 80 - QG1 VAL 132 far 0 63 0 - 5.7-7.1 HA ILE 80 - QG2 VAL 132 far 0 38 0 - 8.1-9.3 HA CYS 79 - QG1 VAL 132 far 0 98 0 - 9.5-10.8 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 3.7-4.6 2.1/10533=63, ~11528=49...(22) HA ALA 88 + QG2 VAL 132 OK 46 46 100 100 3.7-4.6 ~11528=49, 2.1/9861=48...(21) HA ARG 84 - QG1 VAL 132 far 0 89 0 - 5.8-6.7 HA ARG 84 - QG2 VAL 132 far 0 58 0 - 7.7-8.7 HA SER 124 - QG2 VAL 132 far 0 62 0 - 8.5-9.4 HA SER 94 - QG2 VAL 132 far 0 68 0 - 9.4-10.3 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 2.0-3.0 3.0/10535=72...(22) HA ASN 85 + QG2 VAL 132 OK 53 53 100 100 4.0-5.1 ~10535=44, ~10545=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 5.2-6.1 ~9947=92, ~10082=82...(16) H ALA 88 + QG1 VAL 132 OK 81 81 100 100 3.2-4.0 ~11528=84, ~11661=74...(24) H ALA 92 + QG2 VAL 132 OK 58 58 100 100 4.2-5.0 3.0/9947=96...(15) H ALA 88 + QG2 VAL 132 OK 51 51 100 100 4.4-5.0 ~11528=84, ~11661=74...(23) Violated in 0 structures by 0.00 A. Peak 10545 from aliabs.peaks (7.30, 1.13, 22.78 ppm; 6.04 A): 5 out of 8 assignments used, quality = 1.00: HZ PHE 89 + QG1 VAL 132 OK 90 100 90 100 5.5-7.4 9748/11656=80...(14) H ASN 85 + QG1 VAL 132 OK 83 83 100 100 4.1-5.0 3.6/10535=93...(19) QD PHE 87 + QG1 VAL 132 OK 70 93 100 75 6.1-6.9 7181/9476=35...(6) HZ PHE 89 + QG2 VAL 132 OK 64 72 90 99 5.9-7.0 ~11367=61, ~11734=44...(13) H ASN 85 + QG2 VAL 132 OK 37 53 70 99 6.4-7.3 ~10541=52, ~10541=44...(14) QD PHE 87 - QG2 VAL 132 far 3 62 5 - 6.9-8.0 QE PHE 87 - QG1 VAL 132 far 0 60 0 - 7.9-8.7 QE PHE 87 - QG2 VAL 132 far 0 36 0 - 8.6-9.8 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 2.0-3.9 11650/2.1=46...(39) QD PHE 89 + QG2 VAL 132 OK 72 72 100 100 3.0-4.2 11650/2.1=46...(36) Violated in 0 structures by 0.00 A. Peak 10547 from aliabs.peaks (6.48, 1.13, 22.78 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.96: QE TYR 76 + QG1 VAL 132 OK 94 100 95 99 4.4-6.4 9746/11656=89...(11) QD TYR 76 + QG1 VAL 132 OK 23 73 50 62 5.4-7.2 9746/11656=43...(7) QE TYR 76 - QG2 VAL 132 far 4 72 5 - 6.3-7.3 QD TYR 76 - QG2 VAL 132 far 0 46 0 - 6.7-7.5 Violated in 6 structures by 0.08 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 1.9-4.1 2.2/10554=59...(23) Violated in 8 structures by 0.11 A. Peak 10553 from aliabs.peaks (7.30, 1.04, 23.71 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.90: HZ PHE 89 + QG2 VAL 133 OK 90 100 90 100 3.4-5.7 2.2/10552=92...(17) H ASN 85 - QG2 VAL 133 far 0 78 0 - 7.2-10.0 QD PHE 87 - QG2 VAL 133 far 0 96 0 - 9.6-12.3 Violated in 9 structures by 0.19 A. Peak 10554 from aliabs.peaks (7.08, 1.04, 23.71 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.79: QD PHE 89 + QG2 VAL 133 OK 79 99 80 100 1.9-5.5 2.2/10552=78...(20) Violated in 10 structures by 0.46 A. Peak 10555 from aliabs.peaks (6.46, 1.04, 23.71 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.92: QE TYR 76 + QG2 VAL 133 OK 92 93 100 99 2.8-3.7 10558/2.1=63...(22) Violated in 6 structures by 0.05 A. Peak 10556 from aliabs.peaks (7.32, 0.84, 22.12 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.97: HZ PHE 89 + QG1 VAL 133 OK 97 97 100 100 2.4-5.3 2.2/11756=90...(17) HE ARG 90 - QG1 VAL 133 far 0 78 0 - 7.9-11.3 QD PHE 87 - QG1 VAL 133 far 0 100 0 - 9.3-11.4 Violated in 1 structures by 0.00 A. Peak 10557 from aliabs.peaks (7.07, 0.84, 22.12 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QG1 VAL 133 OK 100 100 100 100 1.9-4.8 10554/2.1=81...(21) Violated in 1 structures by 0.01 A. Peak 10558 from aliabs.peaks (6.46, 0.84, 22.12 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.86: QE TYR 76 + QG1 VAL 133 OK 86 87 100 99 1.9-4.3 10555/2.1=77...(24) Violated in 2 structures by 0.03 A. Peak 10559 from aliabs.peaks (6.47, 3.77, 64.98 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + HA VAL 133 OK 99 99 100 100 2.3-4.2 10555/3.2=78...(15) 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 2.0-5.0 9631/2.1=95...(12) QD TYR 76 + HB VAL 133 OK 84 89 95 100 3.6-6.8 ~10555=87, ~10555=86...(22) Violated in 0 structures by 0.00 A. Peak 10562 from aliabs.peaks (8.04, 1.04, 23.71 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.95: H SER 130 + QG2 VAL 133 OK 95 100 95 100 3.8-5.9 2.9/11861=74...(19) H LEU 48 - QG2 VAL 133 far 0 97 0 - 9.2-10.2 Violated in 10 structures by 0.20 A. Peak 10563 from aliabs.peaks (8.31, 1.04, 23.71 ppm; 5.18 A): 2 out of 6 assignments used, quality = 0.91: H LEU 43 + QG2 VAL 133 OK 85 85 100 100 3.3-5.0 4.4/11776=77...(18) H GLU 40 + QG2 VAL 133 OK 41 85 50 96 4.8-7.5 4.7/11767=64...(12) H GLU 44 - QG2 VAL 133 poor 17 68 25 - 5.5-7.0 H TYR 72 - QG2 VAL 133 far 0 92 0 - 8.4-10.4 H VAL 126 - QG2 VAL 133 far 0 65 0 - 9.0-11.2 H LEU 69 - QG2 VAL 133 far 0 99 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 10564 from aliabs.peaks (8.47, 1.04, 23.71 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: H VAL 132 + QG2 VAL 133 OK 100 100 100 100 3.6-5.5 3.3/7935=82...(25) H ASP 47 - QG2 VAL 133 far 0 87 0 - 7.1-8.2 H LEU 70 - QG2 VAL 133 far 0 97 0 - 9.0-11.5 Violated in 9 structures by 0.13 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 5.1-5.5 10564/3.2=97...(24) Violated in 0 structures by 0.00 A. Peak 10566 from aliabs.peaks (3.45, 1.04, 23.71 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.50: HA ILE 129 + QG2 VAL 133 OK 50 100 50 99 3.8-6.5 3.6/10562=46, 10479=41...(20) HA LEU 42 - QG2 VAL 133 far 0 87 0 - 5.3-6.5 HA VAL 77 - QG2 VAL 133 far 0 100 0 - 5.5-7.8 HA VAL 126 - QG2 VAL 133 far 0 90 0 - 6.9-9.1 Violated in 11 structures by 0.98 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: HG2 LYS 39 + QG2 VAL 133 OK 99 99 100 100 1.9-5.0 2.9/11767=77...(27) QG1 VAL 132 + QG2 VAL 133 OK 95 95 100 100 3.8-5.5 2.1/11764=89...(28) QG2 VAL 132 + QG2 VAL 133 OK 90 100 90 100 3.6-5.9 2.1/11764=89...(36) HG3 LYS 39 + QG2 VAL 133 OK 83 83 100 100 1.9-5.4 2.9/11767=77...(28) Violated in 0 structures by 0.00 A. Peak 10568 from aliabs.peaks (1.48, 1.04, 23.71 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 42 + QG2 VAL 133 OK 99 99 100 100 3.6-5.6 2.1/10587=99...(26) HG3 LYS 86 - QG2 VAL 133 far 0 100 0 - 7.1-10.3 HB2 LEU 49 - QG2 VAL 133 far 0 89 0 - 9.4-13.0 Violated in 5 structures by 0.08 A. Peak 10569 from aliabs.peaks (1.66, 1.04, 23.71 ppm; 3.95 A): 2 out of 8 assignments used, quality = 0.95: HG LEU 43 + QG2 VAL 133 OK 92 92 100 100 1.9-4.6 2.1/11776=85...(22) HD2 LYS 39 + QG2 VAL 133 OK 40 81 50 99 3.1-6.8 3.0/10567=52...(22) QB ALA 88 - QG2 VAL 133 far 0 100 0 - 6.0-8.1 HB2 LEU 69 - QG2 VAL 133 far 0 99 0 - 6.7-10.3 HD2 LYS 86 - QG2 VAL 133 far 0 100 0 - 8.2-11.2 HD3 LYS 86 - QG2 VAL 133 far 0 100 0 - 8.8-11.7 HG3 ARG 84 - QG2 VAL 133 far 0 87 0 - 9.0-12.8 HG2 ARG 84 - QG2 VAL 133 far 0 81 0 - 9.1-13.5 Violated in 6 structures by 0.04 A. Peak 10570 from aliabs.peaks (2.64, 1.04, 23.71 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 134 + QG2 VAL 133 OK 100 100 100 100 2.6-4.7 9124/11776=65...(20) Violated in 7 structures by 0.07 A. Peak 10571 from aliabs.peaks (2.94, 1.04, 23.71 ppm; 4.31 A): 2 out of 7 assignments used, quality = 0.98: HE2 LYS 39 + QG2 VAL 133 OK 94 95 100 100 1.9-4.9 9097/10587=57...(22) HE3 LYS 39 + QG2 VAL 133 OK 70 95 75 99 2.2-6.2 4.0/10567=47...(19) HD2 ARG 135 - QG2 VAL 133 far 0 90 0 - 5.5-7.8 HB2 CYS 45 - QG2 VAL 133 far 0 99 0 - 7.1-8.5 HE3 LYS 86 - QG2 VAL 133 far 0 95 0 - 8.0-11.7 HE3 LYS 36 - QG2 VAL 133 far 0 87 0 - 9.0-13.9 HE2 LYS 36 - QG2 VAL 133 far 0 87 0 - 9.4-13.5 Violated in 1 structures by 0.02 A. Peak 10572 from aliabs.peaks (1.65, 0.84, 22.12 ppm; 3.80 A): 1 out of 7 assignments used, quality = 0.80: HG LEU 43 + QG1 VAL 133 OK 80 100 80 100 2.8-5.0 2.1/11679=91...(24) QB ALA 88 - QG1 VAL 133 far 0 90 0 - 5.6-8.1 HB2 LEU 69 - QG1 VAL 133 far 0 100 0 - 6.5-10.5 HD2 LYS 86 - QG1 VAL 133 far 0 98 0 - 7.6-10.7 HD3 LYS 86 - QG1 VAL 133 far 0 99 0 - 8.3-11.0 HG2 ARG 84 - QG1 VAL 133 far 0 97 0 - 8.7-12.8 HG3 ARG 84 - QG1 VAL 133 far 0 99 0 - 8.8-12.3 Violated in 8 structures by 0.28 A. Peak 10573 from aliabs.peaks (1.33, 0.84, 22.12 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.43: QB ALA 46 + QG1 VAL 133 OK 43 97 45 98 4.1-6.3 9176/11777=82...(8) Violated in 18 structures by 0.89 A. Peak 10574 from aliabs.peaks (2.04, 0.84, 22.12 ppm; 4.18 A): 1 out of 8 assignments used, quality = 0.44: HG3 PRO 81 + QG1 VAL 133 OK 44 99 55 81 2.1-9.6 ~11757=42, 10575/2.1=31...(13) HB2 PRO 81 - QG1 VAL 133 poor 16 65 25 - 3.9-11.3 HG3 ARG 135 - QG1 VAL 133 far 10 97 10 - 5.0-7.9 HB2 GLN 134 - QG1 VAL 133 far 4 78 5 - 3.9-6.3 HG2 ARG 90 - QG1 VAL 133 far 0 83 0 - 7.0-9.3 HB3 GLU 40 - QG1 VAL 133 far 0 81 0 - 7.1-9.3 HB2 GLN 127 - QG1 VAL 133 far 0 99 0 - 8.0-11.3 HB2 GLU 44 - QG1 VAL 133 far 0 85 0 - 8.1-10.3 Violated in 12 structures by 1.55 A. Peak 10575 from aliabs.peaks (2.05, 1.04, 23.71 ppm; 4.03 A): 2 out of 10 assignments used, quality = 0.49: HB2 GLN 134 + QG2 VAL 133 OK 34 68 50 100 4.0-6.5 2.9/10570=55...(20) HG3 PRO 81 + QG2 VAL 133 OK 23 100 25 93 3.9-9.4 10574/2.1=68...(14) HG3 ARG 135 - QG2 VAL 133 far 0 93 0 - 5.2-7.4 HB2 PRO 81 - QG2 VAL 133 far 0 68 0 - 5.7-10.9 HB3 GLU 40 - QG2 VAL 133 far 0 71 0 - 6.6-9.2 HB3 GLU 44 - QG2 VAL 133 far 0 68 0 - 7.2-9.6 HG2 ARG 90 - QG2 VAL 133 far 0 73 0 - 7.6-10.5 HB2 GLU 44 - QG2 VAL 133 far 0 76 0 - 7.9-9.9 HB2 GLN 127 - QG2 VAL 133 far 0 100 0 - 8.4-11.0 HB3 GLU 91 - QG2 VAL 133 far 0 93 0 - 9.4-13.3 Violated in 16 structures by 0.65 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 3.9-5.1 10597=92, 10570/2.1=83...(19) Violated in 14 structures by 0.10 A. Peak 10577 from aliabs.peaks (2.93, 0.84, 22.12 ppm; 3.65 A): 2 out of 7 assignments used, quality = 0.78: HE2 LYS 39 + QG1 VAL 133 OK 58 100 60 97 1.9-7.2 9097/10585=37...(19) HE3 LYS 39 + QG1 VAL 133 OK 47 100 50 94 2.5-7.3 2.9/11768=30...(17) HD2 ARG 135 - QG1 VAL 133 far 0 99 0 - 5.4-8.5 HB2 CYS 45 - QG1 VAL 133 far 0 100 0 - 6.9-9.0 HE3 LYS 86 - QG1 VAL 133 far 0 81 0 - 7.4-10.5 HE2 LYS 36 - QG1 VAL 133 far 0 68 0 - 9.3-13.3 HE3 LYS 36 - QG1 VAL 133 far 0 68 0 - 9.3-13.9 Violated in 10 structures by 0.66 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 2.7-4.9 9053=72, 10870/10585=57...(22) Violated in 9 structures by 0.14 A. Peak 10585 from aliabs.peaks (0.55, 0.84, 22.12 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 42 + QG1 VAL 133 OK 99 99 100 100 1.8-3.0 10587/2.1=76...(41) Violated in 0 structures by 0.00 A. Peak 10586 from aliabs.peaks (0.25, 0.84, 22.12 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.93: QD1 ILE 80 + QG1 VAL 133 OK 93 93 100 100 2.3-4.7 10588/2.1=70...(37) Violated in 1 structures by 0.01 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 1.8-3.0 2.1/11774=63...(37) 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 = 0.69: QD1 ILE 80 + QG2 VAL 133 OK 69 99 70 100 3.0-5.6 9746/10555=52...(32) QG2 VAL 93 - QG2 VAL 133 far 0 92 0 - 4.7-7.4 Violated in 10 structures by 0.56 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 3.1-4.3 9726=80, 10588/3.2=77...(22) QG2 VAL 93 - HA VAL 133 far 0 98 0 - 7.1-8.4 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 = 0.99: HD3 LYS 39 + HG2 GLN 134 OK 71 95 75 100 3.4-7.8 11683/4261=44, ~10602=36...(20) HB2 LEU 43 + HG2 GLN 134 OK 70 100 70 100 4.7-8.4 3.2/10596=96...(29) HG2 ARG 135 + HG2 GLN 134 OK 68 100 70 97 3.5-8.7 7983/7976=88...(6) HD2 LYS 39 + HG2 GLN 134 OK 58 78 75 99 4.2-9.0 ~10602=36, 2.9/10603=34...(19) 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 2.6-4.7 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 1.9-5.0 9121=100, 2.1/9124=81...(24) Violated in 1 structures by 0.03 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 3.9-5.1 10576=98, 2.1/10570=97...(21) QG2 ILE 129 - HG2 GLN 134 far 4 87 5 - 6.4-8.3 QG2 ILE 80 - HG2 GLN 134 far 0 65 0 - 8.1-10.4 HG13 ILE 80 - HG2 GLN 134 far 0 57 0 - 8.3-11.1 QD2 LEU 69 - HG2 GLN 134 far 0 73 0 - 8.5-12.0 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 3.8-7.5 2.1/10600=100...(26) QB ALA 88 - HG3 GLN 134 far 0 68 0 - 8.1-11.2 Violated in 3 structures by 0.05 A. Peak 10599 from aliabs.peaks (1.04, 2.08, 35.98 ppm; 6.18 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + HG3 GLN 134 OK 100 100 100 100 2.6-5.5 10570/1.8=99...(29) QD1 LEU 69 - HG3 GLN 134 far 0 60 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 10600 from aliabs.peaks (0.67, 2.08, 35.98 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 43 + HG3 GLN 134 OK 99 99 100 100 1.9-4.8 9121/1.8=83...(25) QD1 ILE 129 - HG3 GLN 134 far 0 81 0 - 8.4-10.9 Violated in 2 structures by 0.02 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 1.9-5.2 9124/1.8=86...(33) HG12 ILE 129 - HG3 GLN 134 far 0 100 0 - 9.2-12.3 Violated in 3 structures by 0.08 A. Peak 10602 from aliabs.peaks (2.93, 2.08, 35.98 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.98: HE2 LYS 39 + HG3 GLN 134 OK 89 100 90 99 2.2-6.4 10577/10601=35...(16) HE3 LYS 39 + HG3 GLN 134 OK 83 100 85 98 2.2-7.2 9120/10600=35...(16) HD2 ARG 135 - HG3 GLN 134 poor 20 99 20 - 4.5-9.3 Violated in 1 structures by 0.01 A. Peak 10603 from aliabs.peaks (2.95, 2.65, 35.98 ppm; 6.61 A): 3 out of 3 assignments used, quality = 0.95: HE2 LYS 39 + HG2 GLN 134 OK 74 78 95 100 2.0-8.0 10577/10576=57...(19) HE3 LYS 39 + HG2 GLN 134 OK 74 78 95 100 2.4-8.6 ~10602=46, 9120/9121=45...(19) HD2 ARG 135 + HG2 GLN 134 OK 24 71 45 76 5.0-8.9 6.2/7976=65...(4) 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 SER 130 + HG2 GLN 134 OK 84 85 100 99 3.7-5.5 11747/9124=69...(11) HB3 SER 130 + HG2 GLN 134 OK 76 83 95 97 4.3-7.1 10509/9124=64...(8) HA VAL 133 + HG2 GLN 134 OK 73 73 100 100 4.9-6.3 3.6/7950=97...(15) HA LEU 43 + HG2 GLN 134 OK 73 92 80 100 5.5-7.8 3.9/10596=90...(5) HB2 SER 130 + HG2 GLN 134 OK 48 63 100 76 3.0-6.3 11642/9124=42...(4) Violated in 0 structures by 0.00 A. Peak 10605 from aliabs.peaks (3.80, 2.08, 35.98 ppm; 6.09 A): 2 out of 3 assignments used, quality = 0.80: HB2 SER 130 + HG3 GLN 134 OK 59 89 75 89 4.2-7.6 11720/10601=72...(8) HA LEU 43 + HG3 GLN 134 OK 51 68 75 100 5.3-8.8 3.9/11685=89...(7) HA GLU 40 - HG3 GLN 134 poor 17 63 40 66 6.3-10.2 9055/10601=39...(5) Violated in 6 structures by 0.16 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 2.3-4.7 10636/1.8=63...(20) Violated in 3 structures by 0.04 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 3.7-5.4 10019/4308=77...(13) Violated in 7 structures by 0.04 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 2.0-4.5 11885=96, 11884/1.8=79...(21) 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 3.3-4.9 11884=97, 10638/1.8=82...(19) 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 4 assignments used, quality = 0.97: QG1 VAL 132 + HD3 ARG 135 OK 95 100 95 100 3.1-5.2 11744=55, 3.2/10635=53...(33) QG2 VAL 132 + HD3 ARG 135 OK 50 99 50 100 3.3-6.2 3.2/10635=53...(32) HG2 LYS 39 - HD3 ARG 135 far 0 100 0 - 8.7-13.4 HG3 LYS 39 - HD3 ARG 135 far 0 63 0 - 9.5-12.6 Violated in 7 structures by 0.09 A. Peak 10641 from aliabs.peaks (7.26, 4.68, 55.23 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.6-4.8 4.7=100 HD2 HIS 10 - HA HIS 8 far 13 88 15 - 4.5-10.6 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 1 assignment used, quality = 1.00: HD2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 10643 from aliabs.peaks (7.27, 3.17, 28.70 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.99: HD2 HIS 10 + HB2 HIS 10 OK 99 99 100 100 2.7-4.0 3.9=100 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 3 assignments used, quality = 0.89: QB ALA 12 + HA MET 11 OK 89 89 100 100 3.7-4.3 2.9/6074=95, 4.6=91...(8) HG2 LYS 19 - HA MET 11 far 0 63 0 - 6.4-21.9 QB ALA 21 - HA MET 11 far 0 100 0 - 8.6-18.8 Violated in 0 structures by 0.00 A. Peak 10647 from aliabs.peaks (1.36, 2.51, 31.62 ppm; 5.18 A): 1 out of 8 assignments used, quality = 0.99: QB ALA 12 + HG3 MET 11 OK 99 100 100 99 3.9-5.2 6080/6078=51, ~6075=50...(8) QB ALA 15 - HG3 MET 11 far 9 89 10 - 3.8-11.5 HG2 LYS 19 - HG3 MET 11 far 5 99 5 - 5.2-21.2 HG3 LYS 26 - HG3 MET 11 far 0 89 0 - 7.1-35.1 QB ALA 16 - HG3 MET 11 far 0 65 0 - 7.4-14.0 HG2 LYS 24 - HG3 MET 11 far 0 96 0 - 7.4-30.2 QB ALA 21 - HG3 MET 11 far 0 87 0 - 7.5-17.8 HG3 LYS 31 - HG3 MET 11 far 0 81 0 - 8.0-37.4 Violated in 1 structures by 0.00 A. Peak 10650 from aliabs.peaks (1.35, 4.65, 53.00 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 12 + HA ASN 13 OK 99 99 100 100 4.1-4.3 5.0=100 QB ALA 15 + HA ASN 13 OK 27 63 60 71 4.0-7.6 10659/6106=56...(4) HG2 LYS 19 - HA ASN 13 far 0 89 0 - 6.5-16.4 QB ALA 21 - HA ASN 13 far 0 99 0 - 7.7-14.8 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 2 assignments used, quality = 0.00: QG1 VAL 20 - HA ASN 13 far 0 76 0 - 6.7-15.0 QG2 VAL 20 - HA ASN 13 far 0 99 0 - 8.4-16.7 Violated in 20 structures by 4.79 A. Peak 10655 from aliabs.peaks (1.36, 3.92, 45.05 ppm; 4.18 A): 4 out of 16 assignments used, quality = 0.99: QB ALA 15 + HA3 GLY 14 OK 85 87 100 98 4.1-5.0 4.9=61, 10659/3.0=41...(12) QB ALA 15 + HA2 GLY 14 OK 85 87 100 98 3.9-5.0 4.9=61, 10659/3.0=41...(10) QB ALA 110 + HA2 GLY 111 OK 57 64 90 98 3.9-5.1 4.8=64, 7578/3.0=37...(18) QB ALA 109 + HA2 GLY 111 OK 37 54 80 86 3.5-6.0 11496/10661=31...(15) QB ALA 12 - HA2 GLY 14 poor 20 100 20 - 3.9-7.7 QB ALA 12 - HA3 GLY 14 poor 6 100 30 21 3.7-7.3 10659/3.0=16, ~11760=6 QB ALA 108 - HA2 GLY 111 far 3 69 5 - 4.8-9.0 QB ALA 16 - HA2 GLY 14 lone 2 63 35 9 4.3-7.2 4.7/10117=6, 10677/1.8=3 QB ALA 16 - HA3 GLY 14 lone 1 63 40 4 4.2-7.9 10677=3 HG2 LYS 19 - HA3 GLY 14 far 0 99 0 - 6.7-14.1 HG2 LYS 19 - HA2 GLY 14 far 0 99 0 - 7.7-13.3 QB ALA 21 - HA2 GLY 14 far 0 89 0 - 7.9-12.6 HG3 LYS 31 - HA2 GLY 14 far 0 78 0 - 9.2-29.1 QB ALA 21 - HA3 GLY 14 far 0 89 0 - 9.3-12.4 QB ALA 29 - HA2 GLY 14 far 0 92 0 - 9.9-24.6 HG3 LYS 31 - HA3 GLY 14 far 0 78 0 - 9.9-29.2 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 22 assignments used, quality = 1.00: QB ALA 16 + HA3 GLY 17 OK 85 89 100 95 4.0-5.0 4.7=78, ~6127=35...(11) QB ALA 110 + HA3 GLY 111 OK 81 82 100 98 3.8-4.5 4.8=72, 7578/3.0=46...(17) QB ALA 16 + HA2 GLY 17 OK 81 84 100 95 3.8-5.0 4.7=78, ~6127=35...(11) HG2 LYS 19 + HA2 GLY 17 OK 68 98 100 70 2.8-5.0 10683/3.6=39...(4) QB ALA 109 + HA3 GLY 111 OK 54 77 80 87 4.4-6.5 10117/1.8=31...(14) HG2 LYS 19 + HA3 GLY 17 OK 53 100 85 62 2.6-5.6 10683/3.6=39...(4) QB ALA 15 - HA2 GLY 17 poor 19 96 20 - 4.7-7.6 QB ALA 21 - HA3 GLY 17 poor 13 63 75 27 3.3-7.6 10683/3.6=22, 6151/10699=5 QB ALA 21 - HA2 GLY 17 poor 12 59 70 29 3.4-7.0 10683/3.6=22, 6151/10699=8 QB ALA 108 - HA3 GLY 111 far 4 84 5 - 3.5-9.3 QB ALA 15 - HA3 GLY 17 lone 2 99 35 7 4.3-7.3 6131/3.0=6 QB ALA 12 - HA3 GLY 17 far 0 92 0 - 6.0-14.6 QB ALA 12 - HA2 GLY 17 far 0 88 0 - 7.3-13.9 QB ALA 28 - HA2 GLY 17 far 0 94 0 - 7.8-18.1 HG3 LYS 31 - HA2 GLY 17 far 0 93 0 - 8.5-22.4 HG3 LYS 26 - HA2 GLY 17 far 0 96 0 - 8.6-20.4 HG3 LYS 31 - HA3 GLY 17 far 0 97 0 - 9.0-23.6 QB ALA 28 - HA3 GLY 17 far 0 97 0 - 9.1-18.8 HG2 LYS 24 - HA2 GLY 17 far 0 98 0 - 9.5-15.2 HG3 LYS 26 - HA3 GLY 17 far 0 99 0 - 9.5-20.4 HG2 LYS 24 - HA3 GLY 111 far 0 86 0 - 9.6-47.8 QB ALA 29 - HA2 GLY 17 far 0 98 0 - 9.7-21.1 Violated in 0 structures by 0.00 A. Peak 10668 from aliabs.peaks (0.89, 3.96, 45.05 ppm; 4.31 A): 2 out of 10 assignments used, quality = 0.44: QG1 VAL 20 + HA2 GLY 17 OK 30 88 85 40 2.8-6.9 10698/10699=23...(3) QG1 VAL 20 + HA3 GLY 17 OK 21 92 70 32 3.4-7.3 10698/10699=16...(3) QG2 VAL 20 - HA2 GLY 17 far 15 98 15 - 3.5-8.8 QG2 VAL 20 - HA3 GLY 17 far 10 100 10 - 4.2-9.4 QD1 LEU 62 - HA3 GLY 111 far 10 65 15 - 4.0-10.6 QG2 VAL 63 - HA3 GLY 111 far 0 70 0 - 5.9-10.5 QG1 VAL 118 - HA3 GLY 111 far 0 86 0 - 6.5-13.0 QD1 LEU 22 - HA2 GLY 17 far 0 97 0 - 7.0-11.8 QD1 LEU 22 - HA3 GLY 17 far 0 99 0 - 7.1-12.7 QD1 LEU 22 - HA3 GLY 111 far 0 84 0 - 7.6-43.4 Violated in 6 structures by 0.19 A. Peak 10669 from aliabs.peaks (0.90, 4.18, 69.56 ppm; 4.18 A): 0 out of 10 assignments used, quality = 0.00: QD1 LEU 22 - HB THR 25 far 13 87 15 - 4.0-10.8 QD1 LEU 22 - HB THR 18 far 10 99 10 - 4.9-11.6 QG1 VAL 20 - HB THR 18 far 5 95 5 - 4.6-7.7 QD1 LEU 48 - HB THR 25 far 4 80 5 - 4.1-29.2 QG2 VAL 20 - HB THR 18 far 0 100 0 - 5.6-8.6 QD2 LEU 48 - HB THR 25 far 0 90 0 - 6.0-31.7 QG2 VAL 20 - HB THR 25 far 0 90 0 - 6.4-11.4 QG1 VAL 20 - HB THR 25 far 0 81 0 - 7.2-12.5 QG2 VAL 63 - HB THR 25 far 0 78 0 - 8.5-32.3 QD1 LEU 49 - HB THR 25 far 0 75 0 - 9.7-33.3 Violated in 18 structures by 1.12 A. Peak 10670 from aliabs.peaks (1.35, 4.18, 69.56 ppm; 4.06 A): 3 out of 12 assignments used, quality = 0.75: QB ALA 21 + HB THR 18 OK 50 98 85 61 3.0-5.9 10686/3.0=29...(5) HG3 LYS 26 + HB THR 25 OK 36 56 75 85 2.8-6.2 6253/6247=44...(18) HG2 LYS 19 + HB THR 18 OK 22 92 25 96 4.4-5.7 4.9/6146=43, ~10696=41...(16) QB ALA 15 - HB THR 18 far 10 68 15 - 1.9-10.8 QB ALA 12 - HB THR 18 far 5 100 5 - 4.9-15.9 QB ALA 29 - HB THR 25 far 3 63 5 - 3.6-11.4 QB ALA 28 - HB THR 25 far 2 49 5 - 4.7-9.6 HG2 LYS 24 - HB THR 25 far 0 67 0 - 5.1-7.8 QB ALA 28 - HB THR 18 far 0 60 0 - 6.7-17.8 HG2 LYS 24 - HB THR 18 far 0 81 0 - 7.2-14.9 QB ALA 21 - HB THR 25 far 0 86 0 - 8.6-12.6 QB ALA 29 - HB THR 18 far 0 76 0 - 8.7-21.5 Violated in 3 structures by 0.02 A. Peak 10678 from aliabs.peaks (1.81, 3.99, 62.40 ppm; 4.60 A): 2 out of 9 assignments used, quality = 1.00: HB3 LYS 19 + HA VAL 20 OK 99 99 100 100 3.9-4.7 6162/3.0=80...(24) HB3 ARG 23 + HA VAL 20 OK 66 100 70 94 3.6-8.9 6204/11783=56...(16) HB3 LYS 31 - HA VAL 20 far 5 100 5 - 4.0-17.5 HB3 LYS 24 - HA VAL 20 far 5 100 5 - 5.4-12.4 HB ILE 32 - HA VAL 20 far 0 100 0 - 6.0-20.4 HB3 LEU 122 - HA SER 50 far 0 67 0 - 6.5-10.9 HB3 LEU 122 - HB2 SER 124 far 0 74 0 - 7.4-8.5 HB3 LYS 26 - HA VAL 20 far 0 100 0 - 7.6-15.7 HB2 LEU 100 - HB2 SER 124 far 0 96 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 10679 from aliabs.peaks (1.75, 3.99, 62.40 ppm; 4.84 A): 2 out of 9 assignments used, quality = 0.99: HB2 LYS 19 + HA VAL 20 OK 95 100 95 100 5.4-5.9 6161/3.0=84, ~6162=60...(24) HB2 ARG 23 + HA VAL 20 OK 84 99 90 94 1.9-7.6 6203/11783=63...(16) HB2 LYS 31 - HA VAL 20 far 5 100 5 - 5.6-16.3 HB2 LYS 24 - HA VAL 20 far 0 100 0 - 6.1-11.4 HB2 LYS 26 - HA VAL 20 far 0 100 0 - 7.9-15.8 HG13 ILE 129 - HB2 SER 124 far 0 99 0 - 9.1-11.1 HG13 ILE 129 - HA SER 50 far 0 95 0 - 9.4-13.7 HG LEU 100 - HA SER 50 far 0 55 0 - 9.7-12.4 HG LEU 100 - HB2 SER 124 far 0 61 0 - 9.9-12.8 Violated in 3 structures by 0.05 A. Peak 10680 from aliabs.peaks (1.56, 3.99, 62.40 ppm; 4.61 A): 4 out of 10 assignments used, quality = 0.95: HG LEU 123 + HA SER 50 OK 70 94 75 100 2.4-5.9 2.1/11772=96...(23) HG2 ARG 23 + HA VAL 20 OK 63 100 70 91 3.6-8.8 6205/11783=50...(12) HG LEU 123 + HB2 SER 124 OK 34 99 35 97 4.6-7.6 7765/7769=64, ~10372=61...(13) HG LEU 49 + HA SER 50 OK 31 89 35 99 3.4-6.6 6620/2.9=48, ~6619=39...(28) HB2 LEU 22 - HA VAL 20 poor 18 89 20 - 4.8-6.8 HG LEU 49 - HB3 SER 51 far 0 68 0 - 6.7-8.5 HB2 LEU 119 - HA SER 50 far 0 82 0 - 7.3-9.3 HG LEU 123 - HB3 SER 51 far 0 73 0 - 8.0-11.4 HG13 ILE 37 - HA VAL 20 far 0 99 0 - 9.3-27.2 HG LEU 49 - HB2 SER 124 far 0 95 0 - 9.6-13.2 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 10 assignments used, quality = 1.00: QB ALA 21 + HA VAL 20 OK 100 100 100 100 4.0-4.8 6181/6176=99...(17) HG2 LYS 19 + HA VAL 20 OK 85 85 100 100 4.1-5.8 10714/3.2=55, ~6164=52...(21) HG2 LYS 24 - HA VAL 20 far 4 71 5 - 5.0-9.5 QB ALA 29 - HA VAL 20 far 3 65 5 - 4.0-15.8 QB ALA 46 - HA SER 50 far 0 88 0 - 5.9-7.4 HB2 LEU 96 - HB2 SER 124 far 0 58 0 - 6.9-8.5 QB ALA 12 - HA VAL 20 far 0 99 0 - 7.7-18.7 QB ALA 46 - HB3 SER 51 far 0 66 0 - 7.9-9.6 HB2 LEU 96 - HA SER 50 far 0 52 0 - 8.9-11.8 QB ALA 46 - HB2 SER 124 far 0 94 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 10683 from aliabs.peaks (1.40, 2.00, 32.54 ppm; 4.07 A): 1 out of 18 assignments used, quality = 0.52: HG2 LYS 19 + HB VAL 20 OK 52 65 80 99 4.0-5.9 10714/2.1=80, ~10712=40...(15) QB ALA 16 - HB VAL 20 far 10 99 10 - 3.8-10.3 HG3 LYS 31 - HB VAL 20 far 5 96 5 - 4.6-21.2 QB ALA 29 - HB VAL 20 far 4 85 5 - 4.2-18.1 QB ALA 15 - HB3 MET 11 far 2 37 5 - 2.3-11.0 HG3 LYS 26 - HB VAL 20 far 0 90 0 - 5.6-16.1 QB ALA 16 - HB3 MET 11 far 0 44 0 - 6.0-12.5 QB ALA 15 - HB VAL 20 far 0 90 0 - 6.1-12.6 QB ALA 34 - HB VAL 20 far 0 89 0 - 6.4-24.5 QB ALA 28 - HB VAL 20 far 0 95 0 - 6.5-16.7 HG2 LYS 19 - HB3 MET 11 far 0 24 0 - 6.7-19.5 HG2 LYS 24 - HB VAL 20 far 0 81 0 - 6.9-11.4 HG2 LYS 86 - HB2 PRO 81 far 0 24 0 - 8.1-9.4 HG3 LYS 26 - HB3 MET 11 far 0 37 0 - 8.2-33.7 HG2 LYS 24 - HB3 MET 11 far 0 31 0 - 9.0-28.3 HG3 LYS 31 - HB3 MET 11 far 0 41 0 - 9.8-34.9 QB ALA 108 - HB3 MET 11 far 0 35 0 - 9.9-46.1 HB3 LEU 100 - HB3 MET 11 far 0 28 0 - 9.9-49.0 Violated in 18 structures by 0.57 A. Peak 10684 from aliabs.peaks (1.32, 2.00, 32.54 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.80: QB ALA 21 + HB VAL 20 OK 80 81 100 100 4.3-5.3 2.9/6177=88, ~353=55...(9) QB ALA 21 - HB3 MET 11 far 0 31 0 - 9.5-17.3 Violated in 2 structures by 0.02 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 - 6.7-12.9 QD2 LEU 100 - HB3 MET 11 far 0 45 0 - 8.7-39.1 Violated in 20 structures by 4.10 A. Peak 10688 from aliabs.peaks (4.27, 0.89, 20.84 ppm; 3.63 A): 3 out of 30 assignments used, quality = 0.74: HA ALA 21 + QG2 VAL 20 OK 42 68 65 96 3.1-5.4 ~6177=30, ~353=30...(15) HA LYS 19 + QG1 VAL 20 OK 35 56 65 98 4.1-5.1 11764=52, 6160/4.0=48...(16) HA ARG 23 + QG2 VAL 20 OK 29 98 35 86 2.2-5.7 2.9/6201=24, 10727=20...(17) HA LEU 22 - QG2 VAL 20 far 10 100 10 - 4.0-6.8 HA ALA 16 - QG1 VAL 20 far 5 54 10 - 3.2-9.2 HA ARG 23 - QG1 VAL 20 far 5 52 10 - 4.0-6.6 HA ALA 16 - QG2 VAL 20 far 5 99 5 - 3.1-10.4 HA THR 18 - QG2 VAL 20 far 5 96 5 - 4.2-7.0 HA ALA 28 - QG2 VAL 20 far 4 71 5 - 4.0-15.3 HA ALA 21 - QG1 VAL 20 far 3 31 10 - 3.4-5.9 HA THR 18 - QG1 VAL 20 far 2 50 5 - 3.9-6.4 HA LYS 31 - QG1 VAL 20 far 0 56 0 - 4.6-17.6 HA LYS 31 - QG2 VAL 20 far 0 100 0 - 4.8-17.6 HA LYS 19 - QG2 VAL 20 far 0 100 0 - 4.9-6.1 HA ALA 15 - QG1 VAL 20 far 0 51 0 - 5.3-11.4 HA ALA 28 - QG1 VAL 20 far 0 33 0 - 5.3-15.8 HA LEU 22 - QG1 VAL 20 far 0 55 0 - 5.9-7.6 HA GLN 27 - QG2 VAL 20 far 0 78 0 - 6.0-14.6 HA LYS 26 - QG1 VAL 20 far 0 56 0 - 6.0-13.2 HA ALA 15 - QG2 VAL 20 far 0 97 0 - 6.1-12.9 HA LYS 36 - QG2 VAL 20 far 0 92 0 - 6.1-23.5 HA LYS 26 - QG2 VAL 20 far 0 100 0 - 6.2-11.8 HA THR 25 - QG2 VAL 20 far 0 81 0 - 6.3-10.7 HA ALA 12 - QG1 VAL 20 far 0 45 0 - 6.8-17.4 HA SER 74 - QG1 VAL 20 far 0 41 0 - 6.9-29.2 HA LYS 36 - QG1 VAL 20 far 0 46 0 - 7.2-24.0 HA THR 25 - QG1 VAL 20 far 0 38 0 - 7.4-11.8 HA GLN 27 - QG1 VAL 20 far 0 37 0 - 7.5-15.5 HA ALA 12 - QG2 VAL 20 far 0 90 0 - 8.9-18.9 HA SER 74 - QG2 VAL 20 far 0 85 0 - 9.0-30.5 Violated in 12 structures by 0.12 A. Peak 10689 from aliabs.peaks (1.17, 4.26, 54.88 ppm; 5.70 A): 0 out of 3 assignments used, quality = 0.00: QG2 THR 25 - HA LEU 22 poor 20 99 20 - 4.8-9.6 QG2 THR 18 - HA LEU 22 lone 0 99 30 2 5.4-9.2 HG12 ILE 32 - HA LEU 22 far 0 89 0 - 7.0-20.9 Violated in 15 structures by 0.72 A. Peak 10690 from aliabs.peaks (4.01, 0.84, 23.20 ppm; 3.58 A): 0 out of 2 assignments used, quality = 0.00: HA VAL 20 - QD2 LEU 22 far 4 73 5 - 3.9-7.0 HA SER 60 - QD2 LEU 22 far 0 100 0 - 9.6-36.1 Violated in 20 structures by 2.89 A. Peak 10693 from aliabs.peaks (1.37, 3.16, 42.99 ppm; 4.06 A): 0 out of 23 assignments used, quality = 0.00: QB ALA 29 - HD3 ARG 23 far 5 99 5 - 4.6-17.3 QB ALA 29 - HD2 ARG 23 far 5 98 5 - 3.9-18.1 QB ALA 28 - HD3 ARG 23 far 5 93 5 - 4.6-15.0 QB ALA 28 - HD2 ARG 23 far 5 92 5 - 3.8-15.1 QB ALA 21 - HD3 ARG 23 far 4 73 5 - 4.6-9.2 QB ALA 16 - HD2 ARG 23 far 0 80 0 - 5.1-15.0 HG2 LYS 19 - HD2 ARG 23 far 0 100 0 - 5.3-11.0 QB ALA 21 - HD2 ARG 23 far 0 72 0 - 5.3-9.0 HG2 LYS 24 - HD2 ARG 23 far 0 99 0 - 5.4-9.0 HG2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.4-9.0 HG3 LYS 26 - HD3 ARG 23 far 0 97 0 - 5.6-13.5 HG3 LYS 26 - HD2 ARG 23 far 0 96 0 - 5.6-13.0 QB ALA 16 - HD3 ARG 23 far 0 81 0 - 5.7-14.5 HG3 LYS 31 - HD3 ARG 23 far 0 92 0 - 5.7-19.7 HG2 LYS 19 - HD3 ARG 23 far 0 100 0 - 5.9-11.2 HG3 LYS 31 - HD2 ARG 23 far 0 91 0 - 6.0-19.6 QB ALA 15 - HD2 ARG 23 far 0 96 0 - 7.7-16.6 QB ALA 16 - HD2 ARG 90 far 0 66 0 - 8.3-35.5 QB ALA 15 - HD3 ARG 23 far 0 97 0 - 8.3-15.3 QB ALA 16 - HD3 ARG 90 far 0 69 0 - 8.6-36.4 HG2 LYS 95 - HD2 ARG 90 far 0 72 0 - 9.1-14.2 HG LEU 96 - HD3 ARG 90 far 0 55 0 - 9.3-12.5 HG2 LYS 95 - HD3 ARG 90 far 0 76 0 - 9.3-13.6 Violated in 18 structures by 0.99 A. Peak 10697 from aliabs.peaks (0.74, 3.16, 42.99 ppm; 4.70 A): 1 out of 10 assignments used, quality = 0.23: QG1 VAL 93 + HD3 ARG 90 OK 23 89 30 87 3.8-6.6 9962/5.2=48...(8) QG1 VAL 93 - HD2 ARG 90 far 13 85 15 - 4.7-7.2 QD1 ILE 32 - HD2 ARG 23 far 3 67 5 - 4.7-18.7 HG12 ILE 129 - HD3 ARG 90 far 0 92 0 - 6.0-12.8 QD1 ILE 32 - HD3 ARG 23 far 0 68 0 - 6.1-18.0 QD2 LEU 96 - HD3 ARG 90 far 0 90 0 - 6.4-10.2 QD2 LEU 96 - HD2 ARG 90 far 0 86 0 - 7.6-10.2 HG12 ILE 129 - HD2 ARG 90 far 0 88 0 - 7.7-12.9 QD1 ILE 37 - HD2 ARG 23 far 0 67 0 - 9.3-22.8 QD2 LEU 43 - HD3 ARG 90 far 0 92 0 - 9.5-14.1 Violated in 17 structures by 1.19 A. Peak 10700 from aliabs.peaks (0.78, 4.33, 56.43 ppm; 4.96 A): 2 out of 17 assignments used, quality = 0.98: QD1 LEU 103 + HA ASN 59 OK 91 91 100 100 3.1-4.9 2.1/10350=92...(22) QD2 LEU 119 + HA ASN 59 OK 78 90 90 96 3.0-7.4 10992/11000=63...(14) QD2 LEU 49 - HA ASP 47 poor 19 75 25 - 5.2-7.2 QD2 LEU 122 - HA ASN 59 far 5 91 5 - 5.5-9.4 QD1 ILE 32 - HA LYS 24 far 5 90 5 - 5.2-15.9 QD1 LEU 53 - HA ASP 47 far 4 80 5 - 5.7-8.2 QD1 LEU 122 - HA ASN 59 far 3 66 5 - 5.7-8.6 QG1 VAL 63 - HA ASN 59 far 0 91 0 - 5.9-6.9 QD1 LEU 53 - HA ASN 59 far 0 87 0 - 6.5-11.4 QD2 LEU 49 - HA ASN 59 far 0 83 0 - 6.8-9.9 QD2 LEU 122 - HA ASP 47 far 0 84 0 - 7.5-12.0 QD1 LEU 70 - HA LYS 24 far 0 63 0 - 7.8-29.6 QD1 LEU 122 - HA ASP 47 far 0 59 0 - 7.8-11.3 QD1 LEU 96 - HA ASP 47 far 0 78 0 - 8.2-9.9 QD1 ILE 37 - HA LYS 24 far 0 90 0 - 8.8-20.8 QG1 VAL 63 - HA LYS 24 far 0 100 0 - 9.2-31.2 QD1 LEU 96 - HA ASN 59 far 0 85 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 10702 from aliabs.peaks (0.89, 1.74, 32.59 ppm; 4.23 A): 2 out of 19 assignments used, quality = 0.88: QG1 VAL 20 + HB2 LYS 19 OK 76 76 100 100 3.9-4.9 10712/1.8=61...(19) QD1 LEU 22 + HB2 LYS 24 OK 51 100 65 78 2.7-7.4 10703/2.9=31...(9) QD1 LEU 22 - HB2 LYS 31 far 10 100 10 - 4.4-19.7 QG2 VAL 20 - HB2 LYS 31 far 10 98 10 - 4.5-15.2 QG2 VAL 20 - HB2 LYS 24 far 5 99 5 - 4.2-9.8 QG2 VAL 20 - HB2 LYS 26 far 5 99 5 - 4.8-13.1 QG2 VAL 20 - HB2 LYS 19 far 5 99 5 - 5.0-6.8 QG1 VAL 20 - HB2 LYS 26 far 4 76 5 - 4.2-13.3 QG1 VAL 20 - HB2 LYS 31 far 4 75 5 - 4.1-15.2 QG1 VAL 20 - HB2 LYS 24 far 0 76 0 - 5.4-11.1 QD1 LEU 22 - HB2 LYS 19 far 0 100 0 - 5.9-11.3 QD1 LEU 48 - HB2 LYS 24 far 0 73 0 - 6.0-29.2 QD1 LEU 22 - HB2 LYS 26 far 0 100 0 - 6.4-12.7 QD1 LEU 48 - HB2 LYS 26 far 0 73 0 - 7.2-27.9 QD2 LEU 48 - HB2 LYS 24 far 0 97 0 - 7.3-31.7 QD2 LEU 48 - HB2 LYS 26 far 0 97 0 - 7.8-30.1 QG2 VAL 63 - HB2 LYS 24 far 0 71 0 - 8.4-33.8 QG2 VAL 57 - HB2 LYS 24 far 0 63 0 - 9.7-37.1 QD1 LEU 49 - HB2 LYS 26 far 0 65 0 - 9.8-30.9 Violated in 3 structures by 0.01 A. Peak 10704 from aliabs.peaks (0.78, 1.38, 24.61 ppm; 3.99 A): 2 out of 10 assignments used, quality = 0.77: QD1 ILE 37 + HG2 LYS 36 OK 68 69 100 100 3.1-4.2 1115/10820=61...(19) QD1 ILE 32 + HG3 LYS 26 OK 28 94 35 86 2.8-10.7 ~10767=30, ~10833=23...(20) QD1 ILE 32 - HG3 LYS 31 far 9 89 10 - 4.2-8.6 QD1 ILE 32 - HG2 LYS 19 far 5 92 5 - 4.0-18.1 QD1 ILE 32 - HG2 LYS 36 far 0 69 0 - 5.0-10.1 QD1 ILE 37 - HG3 LYS 26 far 0 94 0 - 6.7-18.7 QD1 ILE 32 - HG2 LYS 24 far 0 97 0 - 6.7-16.8 QD1 ILE 37 - HG2 LYS 19 far 0 92 0 - 7.5-21.3 QD1 ILE 37 - HG3 LYS 31 far 0 89 0 - 8.5-10.8 QG1 VAL 63 - HG2 LYS 24 far 0 100 0 - 9.1-31.8 Violated in 1 structures by 0.01 A. Peak 10712 from aliabs.peaks (0.89, 1.43, 24.54 ppm; 3.53 A): 2 out of 14 assignments used, quality = 0.80: QG1 VAL 20 + HG3 LYS 19 OK 71 72 100 98 1.9-3.2 10714/1.8=56...(19) QD1 LEU 22 + HG3 LYS 24 OK 31 68 65 71 2.1-6.8 10703/1.8=29...(13) QG2 VAL 20 - HG3 LYS 19 poor 19 95 20 - 3.4-5.3 QG2 VAL 20 - HG2 LYS 26 far 5 99 5 - 3.7-13.8 QG1 VAL 20 - HG2 LYS 26 far 4 78 5 - 4.2-14.2 QG2 VAL 20 - HG3 LYS 24 far 3 65 5 - 3.3-10.0 QG1 VAL 20 - HG3 LYS 24 far 0 46 0 - 4.8-11.0 QD1 LEU 22 - HG2 LYS 26 far 0 100 0 - 6.1-14.1 QD1 LEU 48 - HG2 LYS 26 far 0 76 0 - 6.5-29.7 QD1 LEU 22 - HG3 LYS 19 far 0 97 0 - 7.1-10.4 QD1 LEU 48 - HG3 LYS 24 far 0 44 0 - 7.3-31.0 QD2 LEU 48 - HG2 LYS 26 far 0 98 0 - 7.4-31.9 QD2 LEU 48 - HG3 LYS 24 far 0 64 0 - 8.0-32.2 QG2 VAL 63 - HG3 LYS 24 far 0 42 0 - 8.6-35.4 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 - 9.5-29.3 QD2 LEU 103 - HG3 LYS 24 far 0 63 0 - 9.9-37.1 Violated in 20 structures by 15.33 A. Peak 10714 from aliabs.peaks (0.89, 1.38, 24.54 ppm; 3.50 A): 2 out of 22 assignments used, quality = 0.81: QG1 VAL 20 + HG2 LYS 19 OK 70 70 100 99 2.1-3.6 10714=77, 10712/1.8=49...(22) QD1 LEU 22 + HG2 LYS 24 OK 38 98 55 71 1.9-6.3 10712/1.8=22...(13) QG2 VAL 20 - HG2 LYS 19 far 9 89 10 - 2.7-6.1 QG2 VAL 20 - HG3 LYS 26 far 5 100 5 - 3.7-13.1 QG2 VAL 20 - HG2 LYS 24 far 5 97 5 - 3.7-9.0 QG1 VAL 20 - HG3 LYS 31 far 4 83 5 - 3.9-16.8 QG1 VAL 20 - HG3 LYS 26 far 0 85 0 - 4.4-13.6 QD1 LEU 22 - HG3 LYS 31 far 0 99 0 - 4.6-22.0 QG2 VAL 20 - HG3 LYS 31 far 0 99 0 - 4.6-17.2 QD1 LEU 22 - HG3 LYS 26 far 0 100 0 - 4.9-12.9 QG1 VAL 20 - HG2 LYS 24 far 0 80 0 - 5.6-10.6 QD1 LEU 22 - HG2 LYS 19 far 0 89 0 - 5.9-10.5 QD1 LEU 48 - HG3 LYS 26 far 0 83 0 - 6.7-29.3 QD2 LEU 48 - HG3 LYS 26 far 0 99 0 - 7.5-31.6 QD1 LEU 48 - HG2 LYS 24 far 0 78 0 - 8.0-30.1 QD2 LEU 69 - HG2 LYS 36 far 0 39 0 - 8.0-13.5 QG2 VAL 20 - HG2 LYS 36 far 0 59 0 - 8.3-23.3 QD2 LEU 48 - HG2 LYS 24 far 0 96 0 - 9.0-31.7 QD1 LEU 48 - HG2 LYS 36 far 0 43 0 - 9.1-13.6 QG1 VAL 20 - HG2 LYS 36 far 0 45 0 - 9.1-23.7 QG2 VAL 63 - HG2 LYS 24 far 0 76 0 - 9.6-34.2 QD1 LEU 49 - HG2 LYS 36 far 0 39 0 - 9.8-15.6 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 2 assignments used, quality = 0.00: QD1 LEU 42 - HG2 LYS 36 far 0 34 0 - 5.9-10.0 QD1 LEU 43 - HG2 LYS 36 far 0 46 0 - 9.2-13.6 Violated in 20 structures by 3.27 A. Peak 10718 from aliabs.peaks (0.76, 1.66, 28.90 ppm; 5.06 A): 8 out of 35 assignments used, quality = 1.00: QD1 ILE 37 + HD3 LYS 36 OK 93 93 100 100 1.8-2.0 10918=49, 10918/1.8=49...(22) QD1 ILE 37 + HD2 LYS 36 OK 92 92 100 100 1.9-3.2 10918=49, 10918/1.8=49...(24) QD1 ILE 32 + HD2 LYS 26 OK 54 99 55 100 2.1-12.1 ~10767=61, 929/10833=53...(37) QD1 ILE 32 + HD3 LYS 26 OK 54 98 55 99 2.9-11.0 ~10833=51, 930/10837=38...(38) QD1 ILE 32 + HD2 LYS 31 OK 37 98 40 95 4.3-9.1 2.1/10842=21...(61) QD1 ILE 32 + HD3 LYS 31 OK 33 99 35 95 4.0-9.3 928/10763=23...(64) QG1 VAL 93 + HD3 LYS 95 OK 27 95 30 93 5.8-7.9 11332/5.5=40...(18) QG1 VAL 93 + HD2 LYS 95 OK 26 93 30 93 5.8-8.1 11332/5.5=40...(18) QD1 ILE 32 - HD2 LYS 36 far 14 92 15 - 3.3-9.0 QD1 ILE 32 - HD3 LYS 36 far 9 93 10 - 4.8-10.0 QD1 ILE 32 - HD3 LYS 24 far 9 89 10 - 5.5-17.4 QD1 ILE 37 - HD2 LYS 26 far 5 99 5 - 5.5-20.0 QD1 ILE 37 - HD3 LYS 26 far 5 98 5 - 4.9-19.4 QD1 ILE 32 - HD2 LYS 19 far 4 75 5 - 5.4-18.5 QD1 ILE 32 - HD3 LYS 19 far 4 70 5 - 5.2-19.2 QD2 LEU 96 - HD3 LYS 95 far 0 94 0 - 6.5-8.5 QD1 ILE 37 - HD2 LYS 19 far 0 75 0 - 6.5-21.9 QD2 LEU 96 - HD2 LYS 95 far 0 92 0 - 6.6-8.5 QD1 ILE 32 - HD2 LYS 24 far 0 93 0 - 6.9-17.4 QD1 ILE 37 - HD3 LYS 19 far 0 70 0 - 7.0-22.5 QG1 VAL 63 - HD2 LYS 24 far 0 72 0 - 7.3-33.3 QD1 ILE 37 - HD2 LYS 31 far 0 98 0 - 7.6-12.2 QD1 LEU 96 - HD3 LYS 95 far 0 94 0 - 7.7-9.0 QD2 LEU 122 - HD3 LYS 95 far 0 69 0 - 7.7-10.7 QD1 LEU 96 - HD2 LYS 95 far 0 92 0 - 7.8-8.9 QD2 LEU 122 - HD2 LYS 95 far 0 67 0 - 7.8-11.0 HG12 ILE 129 - HD2 LYS 95 far 0 88 0 - 7.9-11.1 HG12 ILE 129 - HD3 LYS 95 far 0 91 0 - 7.9-11.0 QG1 VAL 93 - HD3 LYS 19 far 0 66 0 - 8.3-30.3 QG1 VAL 63 - HD3 LYS 24 far 0 69 0 - 8.3-32.3 QD1 ILE 37 - HD3 LYS 31 far 0 99 0 - 8.3-12.1 QD1 ILE 37 - HD3 LYS 24 far 0 89 0 - 9.1-22.8 QG1 VAL 93 - HD2 LYS 19 far 0 71 0 - 9.3-30.6 QG1 VAL 63 - HD2 LYS 26 far 0 81 0 - 9.8-31.5 QD1 ILE 37 - HD2 LYS 24 far 0 93 0 - 9.9-23.0 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 24 assignments used, quality = 0.63: QD1 LEU 22 + HB3 LYS 24 OK 30 80 55 67 2.4-7.7 10748/1.8=31...(5) QG2 VAL 20 + HB3 LYS 19 OK 29 58 50 100 3.8-5.8 2.1/10712=61...(23) QG2 ILE 32 + HB2 LYS 36 OK 25 46 65 83 2.4-6.3 10810/1.8=40...(8) QD2 LEU 22 - HB3 LYS 24 poor 18 71 30 85 3.8-7.2 ~10748=21, ~10702=21...(14) QG2 ILE 32 - HB3 LYS 26 poor 16 65 25 - 3.4-11.8 QD1 LEU 22 - HB3 LYS 31 far 12 79 15 - 4.1-20.7 QG2 VAL 20 - HB3 LYS 31 far 6 64 10 - 3.5-16.0 QD2 LEU 22 - HB3 LYS 31 far 3 69 5 - 3.3-19.4 QG2 VAL 20 - HB3 LYS 24 far 3 65 5 - 2.7-10.3 QD2 LEU 22 - HB3 LYS 19 far 3 63 5 - 5.1-9.9 QG2 ILE 32 - HB3 LYS 19 far 3 58 5 - 4.5-16.9 QG2 VAL 20 - HB3 LYS 26 far 0 65 0 - 5.3-13.2 QD1 LEU 22 - HB3 LYS 19 far 0 73 0 - 5.9-10.4 QD1 LEU 22 - HB3 LYS 26 far 0 81 0 - 6.1-13.5 QG2 VAL 20 - HB2 LYS 36 far 0 46 0 - 6.2-21.8 QG2 ILE 32 - HB3 LYS 24 far 0 65 0 - 6.5-18.1 QG2 ILE 32 - HB3 LYS 31 far 0 64 0 - 6.5-7.1 QD2 LEU 22 - HB3 LYS 26 far 0 71 0 - 6.5-13.7 QD2 LEU 48 - HB3 LYS 24 far 0 60 0 - 7.0-31.8 QD2 LEU 48 - HB3 LYS 26 far 0 60 0 - 8.7-31.0 QG2 VAL 57 - HB3 LYS 24 far 0 98 0 - 9.1-37.8 QD2 LEU 22 - HB2 LYS 36 far 0 50 0 - 9.2-23.1 QD2 LEU 69 - HB2 LYS 36 far 0 81 0 - 9.6-13.6 QD2 LEU 70 - HB3 LYS 24 far 0 98 0 - 9.7-32.0 Violated in 2 structures by 0.01 A. Peak 10721 from aliabs.peaks (0.85, 2.96, 41.80 ppm; 3.75 A): 2 out of 27 assignments used, quality = 0.51: QG2 ILE 32 + HE2 LYS 26 OK 38 91 45 92 2.1-15.2 10766=33, 10837/3.0=28...(18) QG2 ILE 32 + HE3 LYS 26 OK 21 92 25 92 3.2-14.0 10837/3.0=28, ~10833=26...(18) QG2 ILE 32 - HE2 LYS 31 poor 20 91 30 73 3.4-9.1 10766=18, 10840/1.8=14...(15) QG2 ILE 32 - HE3 LYS 31 poor 18 82 30 73 3.8-9.5 10840=17, 10766/1.8=14...(15) QG2 ILE 32 - HE2 LYS 36 far 14 91 15 - 1.8-8.5 QG2 ILE 32 - HE3 LYS 36 far 14 91 15 - 3.2-8.4 QD2 LEU 22 - HE2 LYS 24 poor 10 85 35 33 3.1-8.0 10812/3.0=18...(5) QD2 LEU 22 - HE3 LYS 24 poor 9 68 40 33 2.2-8.3 10812/3.0=18...(6) QD2 LEU 22 - HE2 LYS 31 far 5 94 5 - 3.2-19.8 QD2 LEU 22 - HE3 LYS 31 far 4 85 5 - 2.7-20.9 QG2 ILE 32 - HE3 LYS 19 far 0 88 0 - 4.8-18.6 QG2 ILE 32 - HE2 LYS 24 far 0 82 0 - 4.8-21.1 QG2 ILE 32 - HE2 LYS 19 far 0 88 0 - 5.7-20.0 QG2 ILE 32 - HE3 LYS 24 far 0 65 0 - 6.3-21.4 QD2 LEU 22 - HE3 LYS 26 far 0 95 0 - 6.3-14.0 QD2 LEU 22 - HE2 LYS 26 far 0 94 0 - 7.0-15.0 QD2 LEU 22 - HE3 LYS 19 far 0 91 0 - 7.2-12.6 QD2 LEU 69 - HE2 LYS 36 far 0 95 0 - 7.3-11.9 QD2 LEU 69 - HE3 LYS 36 far 0 95 0 - 7.3-11.4 QG1 VAL 133 - HE3 LYS 86 far 0 56 0 - 7.4-10.5 QD2 LEU 22 - HE2 LYS 19 far 0 91 0 - 8.3-12.3 QG1 VAL 133 - HE2 LYS 36 far 0 91 0 - 9.3-13.3 QG1 VAL 133 - HE3 LYS 36 far 0 91 0 - 9.3-13.9 QD2 LEU 70 - HE2 LYS 19 far 0 98 0 - 9.5-29.2 QG2 VAL 57 - HE3 LYS 26 far 0 100 0 - 9.5-39.2 QD2 LEU 70 - HE2 LYS 36 far 0 100 0 - 9.5-13.7 QG2 VAL 57 - HE2 LYS 26 far 0 100 0 - 9.6-38.4 Violated in 13 structures by 3.21 A. Peak 10722 from aliabs.peaks (1.38, 1.96, 29.25 ppm; 5.54 A): 3 out of 7 assignments used, quality = 1.00: QB ALA 28 + HB2 GLN 27 OK 100 100 100 100 3.2-5.5 10762/1.8=97...(24) HG3 LYS 26 + HB2 GLN 27 OK 60 100 60 99 3.7-7.1 6265/6271=98...(12) QB ALA 29 + HB2 GLN 27 OK 21 99 25 84 4.9-8.6 ~10788=58, ~10785=19...(13) HG3 LYS 31 - HB2 GLN 27 far 15 100 15 - 5.2-12.5 HG2 LYS 19 - HB2 GLN 27 far 0 93 0 - 8.0-17.8 HG2 LYS 24 - HB2 GLN 27 far 0 99 0 - 8.7-14.2 QB ALA 12 - HB2 GLN 27 far 0 71 0 - 9.5-26.1 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 3.2-5.3 2.9/6298=91...(23) QB ALA 29 - HB3 GLN 27 poor 19 97 20 - 4.4-8.1 HG3 LYS 26 - HB3 GLN 27 far 14 93 15 - 4.9-8.0 HG3 LYS 31 - HB3 GLN 27 far 9 87 10 - 5.2-13.1 HG2 LYS 19 - HB3 GLN 27 far 0 100 0 - 8.3-17.7 HG2 LYS 24 - HB3 GLN 27 far 0 98 0 - 8.7-15.1 QB ALA 21 - HB3 GLN 27 far 0 81 0 - 8.9-15.0 QB ALA 12 - HB3 GLN 27 far 0 99 0 - 9.3-26.7 Violated in 3 structures by 0.04 A. Peak 10724 from aliabs.peaks (1.36, 2.34, 33.67 ppm; 4.07 A): 3 out of 15 assignments used, quality = 0.86: QB ALA 28 + HG2 GLN 27 OK 57 83 70 99 3.5-6.2 10723/3.0=49...(26) QB ALA 28 + HG3 GLN 27 OK 57 82 70 99 2.5-5.8 10723/3.0=49...(26) HG3 LYS 26 + HG2 GLN 27 OK 22 89 40 63 3.1-7.3 6265/4.6=39...(6) QB ALA 29 - HG3 GLN 27 poor 19 93 20 - 3.5-9.4 HG3 LYS 26 - HG3 GLN 27 poor 18 88 20 - 2.7-7.3 QB ALA 29 - HG2 GLN 27 far 14 93 15 - 4.3-8.4 HG3 LYS 31 - HG2 GLN 27 far 8 81 10 - 3.7-14.1 HG3 LYS 31 - HG3 GLN 27 far 8 80 10 - 4.5-13.8 QB ALA 46 - HG2 GLN 127 lone 1 65 60 3 4.2-5.9 11641/11609=2 HG2 LYS 24 - HG2 GLN 27 far 0 96 0 - 6.9-13.5 HB2 LEU 96 - HG2 GLN 127 far 0 84 0 - 8.0-10.2 HG2 LYS 24 - HG3 GLN 27 far 0 95 0 - 8.4-14.5 QB ALA 21 - HG2 GLN 27 far 0 87 0 - 9.2-15.6 HG2 LYS 19 - HG2 GLN 27 far 0 99 0 - 9.7-18.2 QB ALA 21 - HG3 GLN 27 far 0 86 0 - 9.7-15.3 Violated in 4 structures by 0.05 A. Peak 10725 from aliabs.peaks (1.16, 2.34, 33.67 ppm; 4.61 A): 2 out of 9 assignments used, quality = 0.52: HG12 ILE 32 + HG2 GLN 27 OK 31 100 35 89 2.1-9.7 10768/3.0=43...(11) HG12 ILE 32 + HG3 GLN 27 OK 31 100 35 89 3.0-9.6 10768/3.0=43...(11) QG2 THR 25 - HG3 GLN 27 far 12 82 15 - 3.2-9.6 QG2 THR 25 - HG2 GLN 27 poor 10 83 25 48 3.1-10.0 10758/4.6=28...(3) QG2 THR 18 - HG2 GLN 27 far 0 99 0 - 7.2-17.9 QG2 THR 18 - HG3 GLN 27 far 0 98 0 - 7.3-16.7 QG2 VAL 132 - HG2 GLN 127 far 0 83 0 - 8.3-9.6 QB ALA 41 - HG2 GLN 27 far 0 85 0 - 9.4-19.5 QB ALA 41 - HG3 GLN 27 far 0 84 0 - 10.0-20.3 Violated in 13 structures by 1.24 A. Peak 10726 from aliabs.peaks (1.17, 1.96, 29.25 ppm; 5.75 A): 2 out of 3 assignments used, quality = 0.65: HG12 ILE 32 + HB2 GLN 27 OK 44 89 50 100 2.9-10.0 10764/3.0=90...(10) QG2 THR 25 + HB2 GLN 27 OK 38 99 50 77 3.1-8.8 10758/6271=67...(3) QG2 THR 18 - HB2 GLN 27 far 5 99 5 - 5.6-16.3 Violated in 11 structures by 0.63 A. Peak 10727 from aliabs.peaks (0.92, 2.34, 33.67 ppm; 3.91 A): 1 out of 9 assignments used, quality = 0.97: QD1 LEU 123 + HG2 GLN 127 OK 97 97 100 100 1.9-3.7 11638=100, 10437/1.8=82...(19) QD1 LEU 49 - HG2 GLN 127 lone 2 91 25 8 3.1-7.3 9209/11609=3...(3) QG1 VAL 20 - HG3 GLN 27 far 0 91 0 - 7.1-15.0 QD1 LEU 48 - HG2 GLN 127 far 0 88 0 - 7.9-11.1 QG1 VAL 20 - HG2 GLN 27 far 0 92 0 - 8.0-14.2 QD1 LEU 48 - HG2 GLN 27 far 0 93 0 - 8.3-26.5 QD1 LEU 62 - HG2 GLN 127 far 0 92 0 - 8.4-11.8 QD2 LEU 48 - HG2 GLN 127 far 0 57 0 - 8.6-10.1 QD1 LEU 48 - HG3 GLN 27 far 0 93 0 - 9.0-27.0 Violated in 0 structures by 0.00 A. Peak 10728 from aliabs.peaks (1.37, 4.25, 55.75 ppm; 4.19 A): 2 out of 9 assignments used, quality = 0.97: QB ALA 28 + HA GLN 27 OK 96 97 100 99 3.8-4.9 6304/700=88...(12) HG3 LYS 26 + HA GLN 27 OK 34 99 35 98 4.5-6.6 6265/3.0=70, ~6262=33...(24) QB ALA 29 - HA GLN 27 far 0 100 0 - 5.3-8.0 HG3 LYS 31 - HA GLN 27 far 0 96 0 - 6.9-12.2 QB ALA 21 - HA GLN 27 far 0 65 0 - 8.1-13.9 HG2 LYS 19 - HA GLN 27 far 0 100 0 - 8.4-18.4 HG2 LYS 24 - HA GLN 27 far 0 100 0 - 8.6-13.1 QB ALA 15 - HA GLN 27 far 0 99 0 - 8.8-20.5 QB ALA 16 - HA GLN 27 far 0 87 0 - 9.1-20.0 Violated in 4 structures by 0.03 A. Peak 10730 from aliabs.peaks (0.79, 1.38, 19.04 ppm; 3.12 A): 1 out of 41 assignments used, quality = 0.82: QD1 ILE 32 + QB ALA 29 OK 82 84 100 98 1.8-3.2 3.2/10790=43...(24) QD1 ILE 32 - QB ALA 28 far 4 89 5 - 3.8-6.0 QD1 LEU 103 - QB ALA 109 far 0 99 0 - 4.3-7.8 QD2 LEU 119 - QB ALA 109 far 0 99 0 - 4.3-8.3 QD1 LEU 103 - QB ALA 110 far 0 97 0 - 4.4-10.6 QD1 LEU 103 - QB ALA 108 far 0 95 0 - 4.4-8.2 QD1 ILE 32 - QB ALA 16 far 0 81 0 - 4.9-18.9 QD2 LEU 119 - QB ALA 108 far 0 95 0 - 5.0-10.1 QD2 LEU 119 - QB ALA 110 far 0 97 0 - 5.1-11.7 QG1 VAL 63 - QB ALA 108 far 0 95 0 - 5.4-9.8 QD2 LEU 122 - QB ALA 108 far 0 95 0 - 5.6-13.2 QD1 ILE 32 - QB ALA 15 far 0 88 0 - 5.8-20.7 QD1 ILE 37 - QB ALA 29 far 0 84 0 - 5.9-9.7 QG1 VAL 63 - QB ALA 110 far 0 97 0 - 5.9-12.0 QD1 LEU 70 - QB ALA 16 far 0 59 0 - 6.3-26.5 QD2 LEU 122 - QB ALA 109 far 0 99 0 - 6.4-12.2 QD1 ILE 37 - QB ALA 16 far 0 81 0 - 6.6-22.8 QG1 VAL 63 - QB ALA 15 far 0 100 0 - 6.8-29.2 QG1 VAL 63 - QB ALA 29 far 0 97 0 - 6.9-19.9 QD2 LEU 49 - QB ALA 29 far 0 91 0 - 7.7-20.1 QG1 VAL 63 - QB ALA 109 far 0 99 0 - 7.7-10.1 QD1 LEU 122 - QB ALA 108 far 0 73 0 - 7.7-12.1 QG1 VAL 63 - QB ALA 28 far 0 100 0 - 7.8-21.3 QG1 VAL 63 - QB ALA 16 far 0 95 0 - 7.9-29.5 QD1 LEU 122 - QB ALA 109 far 0 79 0 - 7.9-11.4 QD1 LEU 70 - QB ALA 15 far 0 64 0 - 8.0-28.5 QD2 LEU 122 - QB ALA 110 far 0 98 0 - 8.1-14.2 QD1 LEU 70 - QB ALA 29 far 0 61 0 - 8.3-18.7 QD1 ILE 37 - QB ALA 15 far 0 88 0 - 8.4-23.3 QD1 LEU 122 - QB ALA 110 far 0 76 0 - 8.4-14.1 QD1 LEU 96 - QB ALA 108 far 0 88 0 - 8.6-14.0 QD1 LEU 53 - QB ALA 109 far 0 97 0 - 8.7-15.3 QD2 LEU 49 - QB ALA 110 far 0 91 0 - 8.8-15.9 QD1 LEU 70 - QB ALA 108 far 0 58 0 - 9.5-15.8 QD1 ILE 37 - QB ALA 28 far 0 89 0 - 9.6-12.1 QD1 LEU 53 - QB ALA 108 far 0 92 0 - 9.7-15.3 QD1 LEU 96 - QB ALA 29 far 0 91 0 - 9.7-20.2 QD2 LEU 49 - QB ALA 108 far 0 88 0 - 9.8-14.6 QD2 LEU 49 - QB ALA 28 far 0 96 0 - 9.8-21.9 QD1 LEU 96 - QB ALA 109 far 0 94 0 - 9.9-13.9 QD1 LEU 122 - QB ALA 29 far 0 76 0 - 10.0-21.7 Violated in 6 structures by 0.02 A. Peak 10732 from aliabs.peaks (0.92, 1.38, 19.04 ppm; 3.19 A): 2 out of 40 assignments used, quality = 0.96: QG2 VAL 112 + QB ALA 109 OK 93 98 95 99 1.7-5.6 11548=67, 11771/2.1=60...(16) QG2 VAL 112 + QB ALA 110 OK 43 96 55 80 1.8-5.0 11496=32, 10661/4.8=21...(10) QG1 VAL 20 - QB ALA 16 far 9 92 10 - 2.0-9.0 QG1 VAL 20 - QB ALA 29 far 5 94 5 - 3.6-14.8 QG2 VAL 20 - QB ALA 28 far 4 73 5 - 4.1-13.5 QG2 VAL 20 - QB ALA 29 far 3 69 5 - 1.9-14.4 QG2 VAL 20 - QB ALA 16 far 3 66 5 - 1.9-10.2 QG1 VAL 118 - QB ALA 108 far 3 66 5 - 3.4-9.3 QD1 LEU 119 - QB ALA 109 far 0 79 0 - 4.2-8.7 QG1 VAL 118 - QB ALA 109 far 0 71 0 - 4.4-8.8 QG2 VAL 63 - QB ALA 108 far 0 93 0 - 4.5-8.6 QG2 VAL 63 - QB ALA 110 far 0 96 0 - 4.8-10.3 QG2 VAL 112 - QB ALA 108 far 0 94 0 - 4.9-6.1 QG1 VAL 20 - QB ALA 28 far 0 98 0 - 5.1-13.8 QD1 LEU 48 - QB ALA 29 far 0 95 0 - 5.3-19.7 QD1 LEU 62 - QB ALA 109 far 0 99 0 - 5.3-9.0 QG2 VAL 20 - QB ALA 15 far 0 72 0 - 5.4-11.1 QG1 VAL 20 - QB ALA 15 far 0 97 0 - 5.5-9.3 QD1 LEU 62 - QB ALA 108 far 0 95 0 - 5.6-10.4 QD1 LEU 119 - QB ALA 108 far 0 73 0 - 5.6-9.9 QD1 LEU 119 - QB ALA 110 far 0 76 0 - 5.7-9.6 QG1 VAL 118 - QB ALA 110 far 0 69 0 - 5.8-11.9 QG2 VAL 63 - QB ALA 109 far 0 98 0 - 6.0-8.3 QD1 LEU 62 - QB ALA 110 far 0 97 0 - 6.6-10.5 QD1 LEU 48 - QB ALA 28 far 0 99 0 - 6.9-20.0 QG1 VAL 57 - QB ALA 110 far 0 66 0 - 7.1-12.9 QD2 LEU 48 - QB ALA 29 far 0 73 0 - 7.2-21.7 QG2 ILE 37 - QB ALA 29 far 0 84 0 - 7.7-11.8 QG2 ILE 37 - QB ALA 16 far 0 81 0 - 7.8-24.7 QG1 VAL 57 - QB ALA 108 far 0 63 0 - 8.0-12.7 QG2 VAL 63 - QB ALA 15 far 0 98 0 - 8.0-31.2 QD2 LEU 48 - QB ALA 28 far 0 78 0 - 8.2-21.9 QD1 LEU 49 - QB ALA 29 far 0 97 0 - 8.4-20.2 QG1 VAL 57 - QB ALA 109 far 0 69 0 - 8.4-12.4 QG2 VAL 63 - QB ALA 29 far 0 96 0 - 8.7-21.5 QG2 VAL 63 - QB ALA 28 far 0 99 0 - 9.3-22.9 QG2 VAL 63 - QB ALA 16 far 0 93 0 - 9.5-31.5 QG1 VAL 57 - QB ALA 29 far 0 66 0 - 9.5-25.6 QG1 VAL 57 - QB ALA 28 far 0 71 0 - 9.6-26.2 QG2 ILE 37 - QB ALA 15 far 0 88 0 - 9.8-24.2 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 10 assignments used, quality = 0.00: HB2 LYS 31 - HA ALA 29 far 0 73 0 - 5.3-7.0 HB2 LYS 24 - HA ALA 28 far 0 41 0 - 5.6-13.0 HB2 LYS 26 - HA ALA 29 far 0 68 0 - 5.7-10.7 HB2 LYS 19 - HA ALA 28 far 0 43 0 - 5.9-18.5 HB2 LYS 26 - HA ALA 28 far 0 40 0 - 5.9-8.7 HB2 LYS 31 - HA ALA 28 far 0 43 0 - 6.0-11.1 HB2 LYS 19 - HA ALA 29 far 0 73 0 - 7.6-20.5 HB2 LYS 24 - HA ALA 29 far 0 71 0 - 7.6-16.1 HG LEU 48 - HA ALA 28 far 0 67 0 - 9.6-29.9 HG LEU 48 - HA ALA 29 far 0 99 0 - 9.9-27.9 Violated in 20 structures by 0.97 A. Peak 10734 from aliabs.peaks (1.82, 4.23, 52.30 ppm; 3.30 A): 1 out of 13 assignments used, quality = 0.79: HB ILE 32 + HA ALA 29 OK 79 100 80 100 2.0-5.7 10818=67, 10790/2.1=57...(18) HB3 ARG 23 - HA ALA 28 far 3 69 5 - 2.3-15.3 HB3 LYS 26 - HA ALA 29 far 0 100 0 - 4.5-11.3 HB3 LYS 26 - HA ALA 28 far 0 69 0 - 5.2-8.2 HB3 LYS 19 - HA ALA 28 far 0 65 0 - 5.4-17.2 HB3 LYS 24 - HA ALA 28 far 0 69 0 - 5.6-13.9 HB3 LYS 31 - HA ALA 29 far 0 100 0 - 5.8-7.7 HB ILE 32 - HA ALA 28 far 0 68 0 - 5.8-9.8 HB3 LYS 19 - HA ALA 29 far 0 98 0 - 5.8-18.9 HB3 ARG 23 - HA ALA 29 far 0 100 0 - 6.2-16.8 HB2 LYS 36 - HA ALA 29 far 0 100 0 - 6.3-10.7 HB3 LYS 31 - HA ALA 28 far 0 68 0 - 6.8-10.4 HB3 LYS 24 - HA ALA 29 far 0 100 0 - 8.7-16.1 Violated in 7 structures by 0.41 A. Peak 10735 from aliabs.peaks (1.94, 4.23, 52.30 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.60: HB2 GLU 30 + HA ALA 29 OK 60 100 60 99 4.8-5.8 6318/3.6=80...(24) HB2 GLU 30 - HA ALA 28 poor 14 69 20 - 4.4-6.7 HB2 GLN 27 - HA ALA 28 far 6 40 15 - 3.9-5.9 HB2 GLN 27 - HA ALA 29 far 3 68 5 - 4.0-8.8 Violated in 20 structures by 0.82 A. Peak 10736 from aliabs.peaks (2.34, 4.23, 52.30 ppm; 5.10 A): 4 out of 6 assignments used, quality = 0.94: HG2 GLN 27 + HA ALA 28 OK 58 69 85 100 3.8-6.5 ~6298=53, ~10762=52...(22) HG3 GLN 27 + HA ALA 28 OK 55 69 80 100 3.9-6.6 ~6298=53, ~10762=52...(23) HG2 GLN 27 + HA ALA 29 OK 46 100 50 93 3.1-8.7 10764/10738=66...(16) HG3 GLN 27 + HA ALA 29 OK 42 100 50 85 3.0-9.7 ~10788=39...(16) HG3 GLN 68 - HA ALA 29 far 0 65 0 - 7.9-21.5 HG3 GLN 68 - HA ALA 28 far 0 38 0 - 9.1-25.0 Violated in 1 structures by 0.01 A. Peak 10737 from aliabs.peaks (0.77, 4.23, 52.30 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 32 + HA ALA 29 OK 100 100 100 100 1.9-2.4 9007=89, 10739/2.1=82...(15) QD1 ILE 32 - HA ALA 28 poor 13 68 40 48 3.3-6.1 ~10772=15, 934/3.6=15...(7) QD1 ILE 37 - HA ALA 29 far 0 100 0 - 7.6-10.2 QG1 VAL 63 - HA ALA 28 far 0 65 0 - 8.4-25.1 QG1 VAL 63 - HA ALA 29 far 0 98 0 - 9.7-22.1 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 7 assignments used, quality = 1.00: HG12 ILE 32 + HA ALA 29 OK 100 100 100 100 1.9-3.7 2.1/9007=79...(23) QG2 THR 25 - HA ALA 28 far 8 53 15 - 3.0-8.6 HG12 ILE 32 - HA ALA 28 far 7 68 10 - 3.7-8.8 QG2 THR 25 - HA ALA 29 far 0 87 0 - 5.7-11.0 QG2 THR 18 - HA ALA 28 far 0 67 0 - 7.2-17.8 QB ALA 41 - HA ALA 29 far 0 89 0 - 8.2-14.6 QG2 THR 18 - HA ALA 29 far 0 99 0 - 8.6-21.1 Violated in 0 structures by 0.00 A. Peak 10739 from aliabs.peaks (0.77, 1.38, 19.00 ppm; 3.11 A): 1 out of 39 assignments used, quality = 0.98: QD1 ILE 32 + QB ALA 29 OK 98 100 100 98 1.8-3.2 9007/2.1=50...(23) QD1 ILE 32 - QB ALA 28 far 5 98 5 - 3.8-6.0 QD1 LEU 103 - QB ALA 109 far 0 85 0 - 4.3-7.8 QD2 LEU 119 - QB ALA 109 far 0 72 0 - 4.3-8.3 QD1 LEU 103 - QB ALA 110 far 0 88 0 - 4.4-10.6 QD1 LEU 103 - QB ALA 108 far 0 89 0 - 4.4-8.2 QD1 ILE 32 - QB ALA 16 far 0 80 0 - 4.9-18.9 QD2 LEU 119 - QB ALA 108 far 0 76 0 - 5.0-10.1 QD2 LEU 119 - QB ALA 110 far 0 75 0 - 5.1-11.7 QG1 VAL 63 - QB ALA 108 far 0 88 0 - 5.4-9.8 QD2 LEU 122 - QB ALA 108 far 0 82 0 - 5.6-13.2 QD1 ILE 32 - QB ALA 15 far 0 99 0 - 5.8-20.7 QD1 ILE 37 - QB ALA 29 far 0 100 0 - 5.9-9.7 QG1 VAL 63 - QB ALA 110 far 0 87 0 - 5.9-12.0 QD2 LEU 122 - QB ALA 109 far 0 78 0 - 6.4-12.2 QD1 ILE 37 - QB ALA 16 far 0 80 0 - 6.6-22.8 QG1 VAL 63 - QB ALA 15 far 0 94 0 - 6.8-29.2 QG1 VAL 63 - QB ALA 29 far 0 96 0 - 6.9-19.9 QG1 VAL 93 - QB ALA 16 far 0 59 0 - 7.0-28.0 QD1 ILE 32 - QB ALA 12 far 0 58 0 - 7.3-23.3 QD2 LEU 49 - QB ALA 29 far 0 65 0 - 7.7-20.1 QG1 VAL 63 - QB ALA 109 far 0 84 0 - 7.7-10.1 QG1 VAL 63 - QB ALA 28 far 0 91 0 - 7.8-21.3 QG1 VAL 63 - QB ALA 16 far 0 72 0 - 7.9-29.5 QD2 LEU 122 - QB ALA 110 far 0 81 0 - 8.1-14.2 QD1 ILE 37 - QB ALA 12 far 0 58 0 - 8.1-28.1 QG1 VAL 63 - QB ALA 12 far 0 52 0 - 8.3-32.1 QD1 ILE 37 - QB ALA 15 far 0 99 0 - 8.4-23.3 QD1 LEU 96 - QB ALA 108 far 0 94 0 - 8.6-14.0 QD1 LEU 53 - QB ALA 109 far 0 64 0 - 8.7-15.3 QD2 LEU 49 - QB ALA 110 far 0 57 0 - 8.8-15.9 QD1 ILE 37 - QB ALA 28 far 0 98 0 - 9.6-12.1 QG1 VAL 93 - QB ALA 15 far 0 81 0 - 9.6-30.1 QD2 LEU 96 - QB ALA 16 far 0 57 0 - 9.6-29.4 QD1 LEU 53 - QB ALA 108 far 0 67 0 - 9.7-15.3 QD1 LEU 96 - QB ALA 29 far 0 100 0 - 9.7-20.2 QD2 LEU 49 - QB ALA 108 far 0 58 0 - 9.8-14.6 QD2 LEU 49 - QB ALA 28 far 0 61 0 - 9.8-21.9 QD1 LEU 96 - QB ALA 109 far 0 91 0 - 9.9-13.9 Violated in 6 structures by 0.02 A. Peak 10740 from aliabs.peaks (1.37, 4.21, 56.25 ppm; 4.01 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 29 + HA GLU 30 OK 98 100 100 98 3.8-4.3 4.9=55, 6316/3.0=40...(19) QB ALA 28 + HA GLU 30 OK 91 97 95 98 4.2-5.2 10791/3.0=71...(15) HG3 LYS 31 - HA GLU 30 far 0 97 0 - 5.2-7.9 HG3 LYS 26 - HA GLU 30 far 0 99 0 - 7.0-14.7 HG2 LYS 24 - HA GLU 30 far 0 100 0 - 7.2-19.5 HG2 LYS 19 - HA GLU 30 far 0 100 0 - 8.1-21.5 QB ALA 16 - HA GLU 30 far 0 89 0 - 8.6-21.9 HG2 LYS 36 - HA GLU 30 far 0 99 0 - 9.4-14.3 QB ALA 21 - HA GLU 30 far 0 63 0 - 9.8-19.8 Violated in 0 structures by 0.00 A. Peak 10741 from aliabs.peaks (1.38, 1.94, 29.75 ppm; 4.21 A): 2 out of 12 assignments used, quality = 1.00: QB ALA 28 + HB2 GLU 30 OK 100 100 100 100 2.4-3.8 10791=99, 10742/1.8=57...(15) QB ALA 29 + HB2 GLU 30 OK 40 100 40 99 4.4-5.4 3.7/6318=73...(17) HG3 LYS 31 - HB2 GLU 30 far 5 100 5 - 4.8-7.9 HG3 LYS 26 - HB2 GLU 30 far 5 100 5 - 4.9-12.6 HG2 LYS 19 - HB2 GLU 30 far 0 95 0 - 5.7-19.0 HG2 LYS 24 - HB2 GLU 30 far 0 99 0 - 6.1-18.6 QB ALA 16 - HB2 GLU 30 far 0 99 0 - 6.8-20.3 HG2 LYS 95 - HB3 ARG 90 far 0 69 0 - 7.3-10.8 HB2 LEU 96 - HB3 ARG 90 far 0 70 0 - 8.3-11.9 HG3 LYS 95 - HB3 ARG 90 far 0 70 0 - 8.7-10.7 HG LEU 96 - HB3 ARG 90 far 0 61 0 - 8.8-10.9 QB ALA 15 - HB2 GLU 30 far 0 100 0 - 9.3-23.0 Violated in 0 structures by 0.00 A. Peak 10742 from aliabs.peaks (1.40, 2.01, 29.75 ppm; 4.33 A): 1 out of 8 assignments used, quality = 0.89: QB ALA 28 + HB3 GLU 30 OK 89 90 100 98 3.9-5.0 10791/1.8=75...(14) HG13 ILE 32 - HB3 GLU 30 poor 13 63 20 - 4.9-8.1 HG3 LYS 31 - HB3 GLU 30 far 5 92 5 - 5.0-6.7 HG2 LYS 24 - HB3 GLU 30 far 4 73 5 - 5.1-18.9 QB ALA 29 - HB3 GLU 30 far 0 78 0 - 5.5-6.1 HG3 LYS 26 - HB3 GLU 30 far 0 85 0 - 6.0-14.3 HG2 LYS 19 - HB3 GLU 30 far 0 57 0 - 6.1-20.0 QB ALA 16 - HB3 GLU 30 far 0 98 0 - 7.4-20.4 Violated in 16 structures by 0.31 A. Peak 10743 from aliabs.peaks (1.39, 2.27, 35.39 ppm; 4.21 A): 2 out of 13 assignments used, quality = 0.99: QB ALA 28 + HG2 GLU 30 OK 99 100 100 99 2.5-4.8 10791/3.0=76...(14) QB ALA 29 + HG2 GLU 30 OK 24 99 25 96 4.5-6.2 3.7/6320=61, 4.9/775=44...(16) HG3 LYS 31 - HG2 GLU 30 far 15 100 15 - 3.5-8.8 HG2 LYS 19 - HG2 GLU 30 far 5 90 5 - 4.6-21.5 HG2 LYS 24 - HG2 GLU 30 far 0 97 0 - 5.1-19.5 HG3 LYS 26 - HG2 GLU 30 far 0 100 0 - 5.4-13.5 HG2 LYS 36 - HG2 GLU 40 far 0 63 0 - 6.2-10.5 HB2 LEU 42 - HG2 GLU 40 far 0 57 0 - 6.6-7.6 QB ALA 34 - HG2 GLU 40 far 0 34 0 - 6.7-14.4 QB ALA 16 - HG2 GLU 30 far 0 100 0 - 7.1-22.5 QB ALA 29 - HG2 GLU 40 far 0 62 0 - 8.1-21.0 QB ALA 34 - HG2 GLU 30 far 0 63 0 - 9.6-13.1 QB ALA 12 - HG2 GLU 30 far 0 65 0 - 9.9-29.0 Violated in 1 structures by 0.02 A. Peak 10744 from aliabs.peaks (1.39, 2.31, 35.39 ppm; 4.24 A): 2 out of 12 assignments used, quality = 0.99: QB ALA 28 + HG3 GLU 30 OK 99 100 100 99 2.1-3.5 10791/3.0=76, 10792=60...(13) QB ALA 29 + HG3 GLU 30 OK 56 97 60 97 4.1-5.9 3.7/6321=59, 4.9/782=46...(14) HG3 LYS 31 - HG3 GLU 30 far 5 100 5 - 3.6-9.1 HG2 LYS 24 - HG3 GLU 30 far 0 95 0 - 6.0-19.4 HG2 LYS 36 - HG2 GLU 40 far 0 61 0 - 6.2-10.5 HG2 LYS 19 - HG3 GLU 30 far 0 85 0 - 6.3-20.0 HG3 LYS 26 - HG3 GLU 30 far 0 99 0 - 6.5-14.0 HB2 LEU 42 - HG2 GLU 40 far 0 53 0 - 6.6-7.6 QB ALA 34 - HG2 GLU 40 far 0 39 0 - 6.7-14.4 QB ALA 29 - HG2 GLU 40 far 0 59 0 - 8.1-21.0 QB ALA 16 - HG3 GLU 30 far 0 100 0 - 8.1-22.1 QB ALA 34 - HG3 GLU 30 far 0 71 0 - 9.1-13.8 Violated in 0 structures by 0.00 A. Peak 10747 from aliabs.peaks (7.14, 0.77, 12.40 ppm; 6.12 A): 1 out of 4 assignments used, quality = 0.75: QD TYR 72 + QD1 ILE 37 OK 75 75 100 100 1.9-3.8 9022/1094=100, 9528=97...(38) QD TYR 72 - QD1 ILE 32 far 15 100 15 - 5.3-11.5 HD2 HIS 67 - QD1 ILE 32 far 0 78 0 - 7.5-21.4 HD2 HIS 67 - QD1 ILE 37 far 0 52 0 - 9.6-13.2 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 4 assignments used, quality = 0.74: QE TYR 72 + QD1 ILE 37 OK 74 74 100 100 2.0-3.9 9021/1094=86...(21) QE TYR 72 - QD1 ILE 32 far 15 99 15 - 3.9-11.1 HE21 GLN 68 - QD1 ILE 32 far 13 85 15 - 3.9-19.1 HE21 GLN 68 - QD1 ILE 37 far 0 58 0 - 7.4-10.7 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 4 assignments used, quality = 1.00: HA TYR 72 + QD1 ILE 37 OK 100 100 100 100 2.3-4.5 3.4/10839=56...(21) HA SER 38 - QD1 ILE 37 far 0 100 0 - 5.5-6.2 HA TYR 72 - QD1 ILE 32 far 0 75 0 - 7.0-13.3 HA SER 38 - QD1 ILE 32 far 0 76 0 - 10.0-12.6 Violated in 2 structures by 0.03 A. Peak 10750 from aliabs.peaks (4.24, 1.15, 27.21 ppm; 4.71 A): 1 out of 7 assignments used, quality = 0.98: HA ALA 29 + HG12 ILE 32 OK 98 98 100 100 1.9-3.7 10738=96, 10734/2.9=86...(23) HA ALA 28 - HG12 ILE 32 poor 20 99 20 - 3.7-8.8 HA GLU 30 - HG12 ILE 32 poor 20 81 25 97 4.4-6.9 ~10769=48, ~10845=44...(11) HA GLN 27 - HG12 ILE 32 far 14 97 15 - 4.0-9.6 HA LEU 22 - HG12 ILE 32 far 0 60 0 - 7.0-20.9 HA ALA 34 - HG12 ILE 32 far 0 78 0 - 7.9-8.9 HB3 SER 38 - HG12 ILE 32 far 0 81 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 10751 from aliabs.peaks (4.23, 0.84, 17.13 ppm; 3.71 A): 2 out of 11 assignments used, quality = 0.97: HA ALA 29 + QG2 ILE 32 OK 95 100 95 100 3.4-5.0 10734/2.1=78...(19) HA ALA 34 + QG2 ILE 32 OK 50 90 60 93 4.0-5.1 3.0/10811=44...(10) HA GLU 30 - QG2 ILE 32 far 0 92 0 - 5.4-7.0 HA GLN 27 - QG2 ILE 32 far 0 89 0 - 5.7-10.5 HA ALA 28 - QG2 ILE 32 far 0 93 0 - 5.7-8.6 HB3 SER 38 - QG2 ILE 32 far 0 92 0 - 6.7-10.5 HA ALA 88 - QG2 ILE 129 far 0 32 0 - 6.9-8.1 HA SER 94 - QG2 ILE 129 far 0 53 0 - 7.3-8.7 HA HIS 67 - QG2 ILE 32 far 0 76 0 - 8.2-17.0 HA HIS 67 - QG2 ILE 129 far 0 35 0 - 8.6-10.3 HA SER 124 - QG2 ILE 129 far 0 48 0 - 8.9-9.6 Violated in 4 structures by 0.07 A. Peak 10752 from aliabs.peaks (4.24, 1.81, 38.56 ppm; 4.13 A): 1 out of 10 assignments used, quality = 0.87: HA ALA 29 + HB ILE 32 OK 87 92 95 100 2.0-5.7 10783=87, 2.1/10790=81...(19) HA GLU 30 - HB ILE 32 far 3 65 5 - 4.5-6.0 HA LYS 31 - HB ILE 32 far 3 63 5 - 4.9-6.1 HA ALA 28 - HB ILE 32 far 0 100 0 - 5.8-9.8 HA GLN 27 - HB ILE 32 far 0 100 0 - 6.1-12.0 HA ALA 34 - HB ILE 32 far 0 63 0 - 6.3-7.7 HA LYS 19 - HB ILE 32 far 0 60 0 - 7.7-22.7 HA LYS 26 - HB ILE 32 far 0 68 0 - 7.8-14.9 HB3 SER 38 - HB ILE 32 far 0 65 0 - 8.4-13.2 HA LEU 22 - HB ILE 32 far 0 76 0 - 9.1-23.5 Violated in 5 structures by 0.15 A. Peak 10753 from aliabs.peaks (4.24, 4.11, 60.96 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.83: HA ALA 29 + HA ILE 32 OK 83 98 85 100 4.2-6.2 10734/3.0=71...(13) HA GLU 30 - HA ILE 32 far 0 81 0 - 5.6-7.2 HA ALA 28 - HA ILE 32 far 0 99 0 - 5.7-10.3 HA GLN 27 - HA ILE 32 far 0 97 0 - 6.2-11.7 HA ALA 34 - HA ILE 32 far 0 78 0 - 6.5-7.1 HA LEU 22 - HA ILE 32 far 0 60 0 - 8.6-22.4 HB3 SER 38 - HA ILE 32 far 0 81 0 - 9.6-13.9 Violated in 20 structures by 0.73 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 - 5.6-7.7 Violated in 20 structures by 2.75 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 5 100 5 - 5.3-8.5 Violated in 20 structures by 1.83 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 1.9-3.7 10738/1.8=87...(20) HA GLU 30 + HG13 ILE 32 OK 88 96 95 97 2.8-7.6 3.0/10769=65...(13) HA ALA 28 + HG13 ILE 32 OK 22 89 35 72 4.4-7.5 ~10772=27, 10780/2.1=22...(9) HA GLN 27 - HG13 ILE 32 poor 17 83 20 - 3.8-9.6 HA ALA 34 - HG13 ILE 32 far 0 95 0 - 6.8-9.6 Violated in 0 structures by 0.00 A. Peak 10757 from aliabs.peaks (4.29, 1.43, 27.21 ppm; 5.72 A): 1 out of 8 assignments used, quality = 0.78: HA LYS 31 + HG13 ILE 32 OK 78 78 100 100 4.5-6.4 3.6/6355=96...(17) HA LYS 26 - HG13 ILE 32 far 11 73 15 - 5.4-12.6 HA THR 25 - HG13 ILE 32 far 10 100 10 - 4.1-15.1 HA LYS 19 - HG13 ILE 32 far 0 81 0 - 7.5-22.0 HA ARG 23 - HG13 ILE 32 far 0 93 0 - 7.8-17.9 HA ALA 16 - HG13 ILE 32 far 0 90 0 - 8.3-26.3 HA LYS 36 - HG13 ILE 32 far 0 99 0 - 8.4-11.2 HA LEU 22 - HG13 ILE 32 far 0 65 0 - 8.4-21.2 Violated in 1 structures by 0.04 A. Peak 10758 from aliabs.peaks (4.37, 1.43, 27.21 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.71: HA SER 33 + HG13 ILE 32 OK 71 71 100 100 5.9-6.7 10828/3.2=85, ~6363=78...(19) Violated in 19 structures by 0.37 A. Peak 10759 from aliabs.peaks (4.31, 0.77, 12.40 ppm; 4.79 A): 2 out of 12 assignments used, quality = 0.57: HA LYS 36 + QD1 ILE 37 OK 45 45 100 100 4.6-5.1 3.6/6417=78...(20) HA2 GLY 75 + QD1 ILE 37 OK 23 65 35 100 3.8-8.1 9604=85, 1.8/9608=81...(12) HA TYR 76 - QD1 ILE 37 poor 15 76 20 - 4.5-7.1 HA THR 25 - QD1 ILE 32 poor 7 83 25 34 1.9-12.2 11150/10704=15, 9590=10...(6) HA LYS 24 - QD1 ILE 32 far 4 85 5 - 5.2-15.9 HA LYS 36 - QD1 ILE 32 far 0 68 0 - 6.6-9.2 HA ALA 21 - QD1 ILE 32 far 0 92 0 - 6.9-18.8 HA THR 25 - QD1 ILE 37 far 0 56 0 - 7.2-18.8 HA THR 18 - QD1 ILE 32 far 0 60 0 - 7.2-20.7 HA SER 74 - QD1 ILE 37 far 0 52 0 - 7.4-9.2 HA2 GLY 75 - QD1 ILE 32 far 0 92 0 - 8.6-15.4 HA LYS 24 - QD1 ILE 37 far 0 58 0 - 8.8-20.8 Violated in 9 structures by 0.04 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 3.1-4.0 10777=93, 3.0/6362=71...(28) HA CYS 73 + QG2 ILE 129 OK 41 48 100 85 3.4-4.7 9570/9083=28...(19) HA ASP 71 - QG2 ILE 32 far 0 68 0 - 6.2-13.7 HA ASP 71 - QG2 ILE 129 far 0 31 0 - 8.2-9.3 HA CYS 73 - QG2 ILE 32 far 0 95 0 - 9.4-13.7 HA ASP 78 - QG2 ILE 129 far 0 54 0 - 9.6-10.4 HA ASP 78 - QG2 ILE 32 far 0 99 0 - 9.9-16.3 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 2 assignments used, quality = 0.97: HA SER 33 + HB ILE 32 OK 97 97 100 100 4.1-5.1 3.0/6361=100...(24) HA ASP 71 - HB ILE 32 far 0 93 0 - 8.2-17.1 Violated in 0 structures by 0.00 A. Peak 10762 from aliabs.peaks (1.35, 4.11, 60.96 ppm; 4.94 A): 1 out of 6 assignments used, quality = 0.62: QB ALA 29 + HA ILE 32 OK 62 65 95 100 4.8-6.2 2.1/10820=93, ~10734=60...(16) HG2 LYS 36 - HA ILE 32 far 9 60 15 - 5.2-10.4 HG2 LYS 24 - HA ILE 32 far 0 71 0 - 6.6-21.6 QB ALA 21 - HA ILE 32 far 0 100 0 - 8.0-19.3 HG2 LYS 19 - HA ILE 32 far 0 85 0 - 8.5-20.4 QB ALA 12 - HA ILE 32 far 0 99 0 - 9.4-30.0 Violated in 18 structures by 0.56 A. Peak 10763 from aliabs.peaks (1.66, 4.11, 60.96 ppm; 4.39 A): 4 out of 10 assignments used, quality = 0.88: HD3 LYS 31 + HA ILE 32 OK 50 99 55 91 2.7-7.6 ~809=29, ~6343=28...(21) HD2 LYS 31 + HA ILE 32 OK 45 98 50 91 2.6-7.9 ~809=29, ~6343=28...(21) HD3 LYS 26 + HA ILE 32 OK 33 100 35 95 2.1-15.3 ~10833=40, 10837/904=39...(24) HD2 LYS 26 + HA ILE 32 OK 33 100 35 95 2.2-16.5 10833/3.0=53...(23) HD2 LYS 36 - HA ILE 32 far 15 100 15 - 3.3-8.1 HD3 LYS 36 - HA ILE 32 far 15 100 15 - 4.7-9.8 HD3 LYS 24 - HA ILE 32 far 0 97 0 - 6.3-22.9 HD2 LYS 24 - HA ILE 32 far 0 100 0 - 7.8-22.7 HD2 LYS 19 - HA ILE 32 far 0 93 0 - 8.3-20.9 HD3 LYS 19 - HA ILE 32 far 0 90 0 - 9.2-21.9 Violated in 2 structures by 0.05 A. Peak 10764 from aliabs.peaks (2.81, 1.81, 38.56 ppm; 5.95 A): 0 out of 1 assignment used, quality = 0.00: HB3 ASP 71 - HB ILE 32 far 5 100 5 - 5.7-16.3 Violated in 19 structures by 6.88 A. 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; 3.69 A): 3 out of 18 assignments used, quality = 0.62: HE2 LYS 26 + QG2 ILE 32 OK 38 100 40 94 2.1-15.2 10757=47, 3.0/10837=31...(18) HE3 LYS 26 + QG2 ILE 32 OK 24 100 25 94 3.2-14.0 1.8/10757=36...(18) HE2 LYS 31 + QG2 ILE 32 OK 21 100 30 69 3.4-9.1 10721=14, 9008/930=10...(15) HE3 LYS 31 - QG2 ILE 32 poor 17 100 25 70 3.8-9.5 10721=13, 1.8/10721=11...(15) HE2 LYS 36 - QG2 ILE 32 far 15 100 15 - 1.8-8.5 HE3 LYS 36 - QG2 ILE 32 far 15 100 15 - 3.2-8.4 HE3 LYS 19 - QG2 ILE 32 far 0 100 0 - 4.8-18.6 HE2 LYS 24 - QG2 ILE 32 far 0 100 0 - 4.8-21.1 HE2 LYS 19 - QG2 ILE 32 far 0 100 0 - 5.7-20.0 HB2 CYS 45 - QG2 ILE 129 far 0 35 0 - 6.0-7.4 HE3 LYS 24 - QG2 ILE 32 far 0 97 0 - 6.3-21.4 HE2 LYS 39 - QG2 ILE 129 far 0 27 0 - 7.0-10.2 HB2 CYS 45 - QG2 ILE 32 far 0 76 0 - 7.5-14.5 HE3 LYS 39 - QG2 ILE 129 far 0 27 0 - 8.1-10.0 HE3 LYS 86 - QG2 ILE 129 far 0 55 0 - 8.7-9.9 HE2 LYS 36 - QG2 ILE 129 far 0 55 0 - 9.2-13.4 HE2 LYS 19 - QG2 ILE 129 far 0 55 0 - 9.7-29.8 HE3 LYS 36 - QG2 ILE 129 far 0 55 0 - 9.7-13.6 Violated in 11 structures by 0.71 A. Peak 10767 from aliabs.peaks (1.69, 1.15, 27.21 ppm; 4.82 A): 1 out of 4 assignments used, quality = 0.28: HD3 LYS 26 + HG12 ILE 32 OK 28 63 45 98 2.8-13.3 ~10833=50, 10837/907=45...(36) HD2 LYS 36 - HG12 ILE 32 far 9 63 15 - 4.2-10.2 HD3 LYS 36 - HG12 ILE 32 far 0 60 0 - 5.9-11.9 HD2 LYS 24 - HG12 ILE 32 far 0 60 0 - 8.1-20.7 Violated in 13 structures by 3.09 A. Peak 10768 from aliabs.peaks (2.09, 1.15, 27.21 ppm; 5.88 A): 1 out of 1 assignment used, quality = 0.31: HB3 GLN 27 + HG12 ILE 32 OK 31 57 55 99 4.0-10.0 3.0/10764=93...(10) Violated in 13 structures by 1.04 A. Peak 10769 from aliabs.peaks (1.93, 1.43, 27.21 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.67: HB2 GLU 30 + HG13 ILE 32 OK 67 100 70 96 4.2-7.9 10829/6355=53, ~10834=33...(14) Violated in 16 structures by 0.77 A. Peak 10770 from aliabs.peaks (2.29, 1.43, 27.21 ppm; 5.26 A): 2 out of 2 assignments used, quality = 0.59: HG3 GLU 30 + HG13 ILE 32 OK 44 83 55 97 3.9-7.1 3.0/10769=80, ~10834=37...(9) HG2 GLU 30 + HG13 ILE 32 OK 26 90 30 96 4.9-7.2 3.0/10769=80, ~10834=37...(7) Violated in 15 structures by 0.38 A. Peak 10771 from aliabs.peaks (2.75, 0.77, 12.40 ppm; 4.92 A): 2 out of 7 assignments used, quality = 0.60: HB3 ASP 35 + QD1 ILE 32 OK 44 73 80 76 3.3-10.0 3.0/10807=22...(10) HB2 TYR 76 + QD1 ILE 37 OK 27 69 40 100 4.5-7.6 10823/1094=81, ~9011=56...(20) HB3 ASP 35 - QD1 ILE 37 far 2 49 5 - 5.8-6.7 HB2 ASP 64 - QD1 ILE 32 far 0 100 0 - 7.1-21.5 HB2 CYS 73 - QD1 ILE 37 far 0 67 0 - 8.1-9.7 HB3 ASP 78 - QD1 ILE 37 far 0 41 0 - 8.2-11.8 HB3 ASP 78 - QD1 ILE 32 far 0 63 0 - 9.8-18.0 Violated in 5 structures by 0.15 A. Peak 10772 from aliabs.peaks (3.19, 0.77, 12.40 ppm; 4.90 A): 0 out of 2 assignments used, quality = 0.00: HD2 ARG 23 - QD1 ILE 32 far 3 57 5 - 4.7-18.7 HD2 ARG 23 - QD1 ILE 37 far 0 37 0 - 9.3-22.8 Violated in 19 structures by 5.83 A. Peak 10773 from aliabs.peaks (3.08, 0.77, 12.40 ppm; 5.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 10774 from aliabs.peaks (1.81, 4.39, 58.04 ppm; 3.85 A): 2 out of 7 assignments used, quality = 0.99: HB ILE 32 + HA SER 33 OK 95 100 95 100 4.1-5.1 6361/3.0=74...(23) HB2 LYS 36 + HA SER 33 OK 82 99 85 97 2.1-7.2 1.8/10778=64...(9) HB3 LEU 103 - HA SER 107 far 2 47 5 - 4.3-7.1 HB3 LYS 26 - HA SER 33 far 0 100 0 - 6.5-17.0 HB3 LYS 19 - HA SER 33 far 0 100 0 - 7.7-21.7 HB3 LYS 31 - HA SER 33 far 0 100 0 - 7.8-9.2 HB3 ARG 23 - HA SER 33 far 0 99 0 - 9.8-24.5 Violated in 3 structures by 0.03 A. Peak 10775 from aliabs.peaks (1.66, 4.39, 58.04 ppm; 4.09 A): 2 out of 10 assignments used, quality = 0.96: HD2 LYS 36 + HA SER 33 OK 86 100 90 96 2.0-5.7 3.5/10778=52...(19) HD3 LYS 36 + HA SER 33 OK 72 100 75 96 2.9-5.7 3.5/10778=52...(19) HD3 LYS 26 - HA SER 33 far 0 100 0 - 5.2-19.0 HD2 LYS 31 - HA SER 33 far 0 97 0 - 5.3-10.4 HD2 LYS 26 - HA SER 33 far 0 99 0 - 6.4-19.9 HD3 LYS 31 - HA SER 33 far 0 99 0 - 6.6-10.5 HG LEU 62 - HA SER 107 far 0 44 0 - 8.1-12.0 HB2 LEU 98 - HA SER 9 far 0 50 0 - 9.4-60.3 HD2 LYS 19 - HA SER 33 far 0 92 0 - 9.6-24.7 HD3 LYS 24 - HA SER 33 far 0 96 0 - 9.7-27.2 Violated in 2 structures by 0.07 A. Peak 10776 from aliabs.peaks (1.39, 4.39, 58.04 ppm; 3.98 A): 2 out of 14 assignments used, quality = 0.66: QB ALA 108 + HA SER 107 OK 47 53 90 98 3.7-4.9 2.9/7555=74...(13) HG2 LYS 36 + HA SER 33 OK 37 95 40 97 4.5-7.6 3.0/10778=55...(17) QB ALA 34 - HA SER 33 poor 16 81 20 - 4.0-5.0 QB ALA 109 - HA SER 107 poor 16 60 55 47 3.6-7.4 2.9/3503=14...(8) QB ALA 29 - HA SER 33 far 9 92 10 - 4.7-8.9 QB ALA 110 - HA SER 107 far 6 56 10 - 3.5-9.0 HG3 LYS 31 - HA SER 33 far 0 99 0 - 6.5-9.5 HG3 LYS 26 - HA SER 33 far 0 96 0 - 6.7-18.0 QB ALA 15 - HA SER 9 far 0 60 0 - 7.4-17.5 QB ALA 16 - HA SER 33 far 0 100 0 - 7.9-25.7 QB ALA 28 - HA SER 33 far 0 98 0 - 8.5-11.5 HB3 LEU 100 - HA SER 107 far 0 44 0 - 9.7-12.3 QB ALA 16 - HA SER 9 far 0 67 0 - 9.9-19.3 QB ALA 15 - HA SER 107 far 0 55 0 - 10.0-42.9 Violated in 17 structures by 0.27 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 3.1-4.0 6362/3.0=73, 10760=71...(28) QD1 LEU 98 - HA SER 9 far 0 47 0 - 7.2-50.7 QD2 LEU 22 - HA SER 33 far 0 100 0 - 8.4-24.1 QG2 VAL 57 - HA SER 107 far 0 46 0 - 9.0-12.5 QD1 LEU 98 - HA SER 107 far 0 43 0 - 9.4-15.1 Violated in 2 structures by 0.00 A. Peak 10778 from aliabs.peaks (1.89, 4.39, 58.04 ppm; 4.23 A): 1 out of 3 assignments used, quality = 0.80: HB3 LYS 36 + HA SER 33 OK 80 97 85 97 3.5-8.0 10810/10777=44...(10) HB2 MET 11 - HA SER 9 far 2 43 5 - 4.9-8.7 HB3 LEU 119 - HA SER 107 far 0 41 0 - 7.7-14.3 Violated in 5 structures by 0.46 A. Peak 10779 from aliabs.peaks (1.81, 3.84, 63.38 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.92: HB2 LYS 36 + HB3 SER 33 OK 92 99 95 98 3.7-6.9 10107/1.8=44, ~10778=44...(12) HB ILE 32 - HB3 SER 33 far 5 100 5 - 5.1-7.1 HB3 LYS 26 - HB3 SER 33 far 0 100 0 - 5.4-18.5 HB3 LYS 19 - HB3 SER 33 far 0 100 0 - 6.3-20.9 HB3 LYS 31 - HB3 SER 33 far 0 100 0 - 8.0-10.6 HB3 ARG 23 - HB3 SER 33 far 0 99 0 - 8.5-24.9 Violated in 10 structures by 0.18 A. Peak 10780 from aliabs.peaks (1.81, 3.91, 63.38 ppm; 5.92 A): 3 out of 14 assignments used, quality = 1.00: HB ILE 32 + HB2 SER 33 OK 100 100 100 100 5.2-6.2 6361/6367=100...(17) HB2 LYS 36 + HB2 SER 33 OK 99 99 100 100 3.6-5.7 10779/1.8=100, ~10778=75...(12) HB VAL 93 + HB2 SER 94 OK 59 59 100 100 4.1-5.0 2.1/11420=99...(12) HB3 LYS 26 - HB2 SER 33 poor 20 100 20 - 4.0-17.1 HB3 LEU 103 - HB2 SER 107 poor 15 56 40 67 5.5-9.0 ~10106=16, ~10115=15...(12) HB3 LEU 98 - HB2 SER 94 far 6 39 15 - 6.2-8.9 HB3 LYS 31 - HB2 SER 33 far 5 100 5 - 6.5-9.3 HB3 LYS 19 - HB2 SER 33 far 5 100 5 - 6.4-21.1 HB3 ARG 23 - HB2 SER 33 far 0 99 0 - 7.9-23.2 HB3 LEU 122 - HB2 SER 107 far 0 51 0 - 9.0-16.4 HB2 LEU 100 - HB2 SER 107 far 0 66 0 - 9.5-14.7 HB2 LYS 86 - HB2 SER 94 far 0 59 0 - 9.8-13.1 HB2 LEU 100 - HB2 SER 94 far 0 67 0 - 9.8-12.6 HB3 LYS 24 - HB2 SER 33 far 0 100 0 - 10.0-24.9 Violated in 0 structures by 0.00 A. Peak 10781 from aliabs.peaks (1.66, 3.91, 63.38 ppm; 4.71 A): 4 out of 15 assignments used, quality = 0.99: HD2 LYS 36 + HB2 SER 33 OK 92 100 95 97 2.6-7.0 10855/6367=42...(13) HD3 LYS 36 + HB2 SER 33 OK 62 100 65 96 3.6-6.9 10783/1.8=38...(13) HD3 LYS 95 + HB2 SER 94 OK 35 72 90 53 4.1-7.4 7304/4.4=29, 9225/3.6=22...(4) HD2 LYS 95 + HB2 SER 94 OK 26 68 75 51 4.2-7.9 7304/4.4=29, 9225/3.6=20...(4) HD3 LYS 26 - HB2 SER 33 far 15 100 15 - 3.5-19.1 HD2 LYS 31 - HB2 SER 33 far 15 98 15 - 4.7-10.0 HD2 LYS 26 - HB2 SER 33 far 10 100 10 - 4.9-20.1 HD3 LYS 31 - HB2 SER 33 far 5 99 5 - 5.3-9.7 HG LEU 62 - HB2 SER 107 far 0 54 0 - 6.5-14.8 HB2 LEU 98 - HB2 SER 94 far 0 57 0 - 7.1-9.4 HD2 LYS 19 - HB2 SER 33 far 0 93 0 - 7.4-22.6 HD3 LYS 24 - HB2 SER 33 far 0 97 0 - 8.4-26.7 HD3 LYS 19 - HB2 SER 33 far 0 90 0 - 8.8-23.7 QB ALA 88 - HB2 SER 94 far 0 74 0 - 8.9-10.1 HD2 LYS 24 - HB2 SER 33 far 0 100 0 - 9.5-26.7 Violated in 0 structures by 0.00 A. Peak 10782 from aliabs.peaks (1.41, 3.91, 63.38 ppm; 5.04 A): 2 out of 19 assignments used, quality = 0.99: QB ALA 34 + HB2 SER 33 OK 99 99 100 100 4.4-5.0 10861/1.8=94...(11) QB ALA 108 + HB2 SER 107 OK 38 38 100 99 3.9-5.7 2.9/7556=77...(9) QB ALA 110 - HB2 SER 107 poor 13 44 30 - 3.1-9.3 QB ALA 109 - HB2 SER 107 poor 13 53 40 61 3.5-8.1 10852/3.0=27, ~3503=16...(7) HG2 LYS 26 - HB2 SER 33 far 11 76 15 - 3.5-18.7 HG3 LYS 31 - HB2 SER 33 far 8 78 10 - 5.4-8.9 HG3 LYS 26 - HB2 SER 33 far 7 68 10 - 4.6-18.8 HG2 LYS 95 - HB2 SER 94 far 6 56 10 - 5.2-7.4 HG3 LYS 95 - HB2 SER 94 far 5 50 10 - 5.3-7.2 HG13 ILE 32 - HB2 SER 33 far 4 81 5 - 5.5-7.6 HG2 LYS 36 - HB2 SER 33 far 3 65 5 - 3.4-8.3 QB ALA 92 - HB2 SER 94 far 0 50 0 - 6.1-7.1 QB ALA 29 - HB2 SER 33 far 0 60 0 - 6.1-9.5 HB2 LEU 96 - HB2 SER 94 far 0 41 0 - 6.9-9.3 HG LEU 96 - HB2 SER 94 far 0 68 0 - 7.0-8.2 QB ALA 15 - HB2 SER 33 far 0 68 0 - 8.3-25.5 QB ALA 16 - HB2 SER 33 far 0 90 0 - 8.4-24.0 QB ALA 28 - HB2 SER 33 far 0 76 0 - 8.4-11.8 QB ALA 16 - HB2 SER 94 far 0 61 0 - 9.0-36.8 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 9 assignments used, quality = 0.99: HD2 LYS 36 + HB3 SER 33 OK 89 100 90 99 2.5-6.8 3.5/10779=67...(14) HD3 LYS 36 + HB3 SER 33 OK 88 99 90 98 2.2-6.2 3.5/10779=67...(14) HD3 LYS 26 - HB3 SER 33 far 10 100 10 - 4.8-20.6 HD2 LYS 26 - HB3 SER 33 far 0 99 0 - 5.8-21.5 HD2 LYS 31 - HB3 SER 33 far 0 96 0 - 6.4-11.7 HD3 LYS 31 - HB3 SER 33 far 0 98 0 - 6.5-11.4 HD2 LYS 19 - HB3 SER 33 far 0 89 0 - 7.4-24.1 HD3 LYS 19 - HB3 SER 33 far 0 85 0 - 8.6-24.9 HD3 LYS 24 - HB3 SER 33 far 0 93 0 - 9.2-28.3 Violated in 2 structures by 0.07 A. Peak 10784 from aliabs.peaks (1.39, 3.84, 63.38 ppm; 4.25 A): 1 out of 10 assignments used, quality = 0.77: QB ALA 34 + HB3 SER 33 OK 77 81 95 100 3.8-5.3 2.1/10864=79, 2.9/949=76...(12) HG2 LYS 36 - HB3 SER 33 poor 19 95 20 - 4.7-7.7 HG3 LYS 26 - HB3 SER 33 far 0 96 0 - 6.2-20.2 QB ALA 29 - HB3 SER 33 far 0 92 0 - 7.0-10.3 HG3 LYS 31 - HB3 SER 33 far 0 99 0 - 7.2-9.8 QB ALA 16 - HB3 SER 33 far 0 100 0 - 8.3-25.4 HG2 LYS 19 - HB3 SER 33 far 0 76 0 - 8.6-23.5 QB ALA 15 - HB3 SER 33 far 0 96 0 - 8.8-26.0 QB ALA 28 - HB3 SER 33 far 0 98 0 - 9.8-12.8 HG2 LYS 24 - HB3 SER 33 far 0 89 0 - 9.9-26.9 Violated in 17 structures by 0.26 A. Peak 10785 from aliabs.peaks (0.84, 3.84, 63.38 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 32 + HB3 SER 33 OK 100 100 100 100 4.5-5.0 6362/945=93...(22) QD2 LEU 22 - HB3 SER 33 far 0 100 0 - 9.3-24.7 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 = 0.91: QD1 ILE 37 + HB3 SER 33 OK 91 95 100 96 2.2-5.6 10873/10864=70...(9) QD1 ILE 32 - HB3 SER 33 far 0 95 0 - 6.6-7.6 Violated in 3 structures by 0.05 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: QG1 VAL 20 - HB3 SER 33 far 0 100 0 - 7.8-19.2 QG2 VAL 20 - HB3 SER 33 far 0 97 0 - 7.9-20.4 QD1 LEU 22 - HB3 SER 33 far 0 90 0 - 8.6-24.0 Violated in 20 structures by 4.88 A. Peak 10788 from aliabs.peaks (0.75, 4.39, 58.04 ppm; 4.69 A): 1 out of 4 assignments used, quality = 0.80: QD1 ILE 37 + HA SER 33 OK 80 90 100 88 3.5-4.5 10786/946=61...(8) QD2 LEU 103 - HA SER 107 poor 17 46 55 67 3.2-6.6 11713/11786=17...(15) QD1 LEU 103 - HA SER 107 poor 16 30 70 75 4.0-6.5 11486/7555=27...(16) QD1 ILE 32 - HA SER 33 far 0 90 0 - 5.8-6.1 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 2 assignments used, quality = 1.00: HB ILE 37 + HA ALA 34 OK 100 100 100 100 4.2-4.6 9003=83, 2.1/9004=67...(11) HB VAL 20 - HA ALA 34 far 0 63 0 - 9.0-28.3 Violated in 20 structures by 0.67 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 2.2-2.8 9006=92, 2.1/10873=89...(14) HB3 LEU 42 - HA ALA 34 far 0 98 0 - 8.4-10.0 HB2 LEU 22 - HA ALA 34 far 0 98 0 - 8.8-27.9 Violated in 0 structures by 0.00 A. Peak 10791 from aliabs.peaks (0.93, 4.21, 53.17 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 37 + HA ALA 34 OK 99 99 100 100 4.1-4.7 9004=97, 2.1/10789=83...(13) QG1 VAL 20 - HA ALA 34 far 0 85 0 - 6.5-21.9 Violated in 10 structures by 0.04 A. Peak 10792 from aliabs.peaks (0.77, 4.21, 53.17 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 37 + HA ALA 34 OK 100 100 100 100 1.9-3.2 10830=62, 1094/9004=56...(17) QD1 ILE 32 - HA ALA 34 far 0 100 0 - 5.6-7.8 Violated in 0 structures by 0.00 A. Peak 10793 from aliabs.peaks (1.99, 1.41, 18.59 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.22: HB ILE 37 + QB ALA 34 OK 22 87 25 100 4.5-5.5 10789/2.1=69, 10816=65...(22) HB VAL 20 - QB ALA 34 far 0 93 0 - 6.4-24.5 HB2 GLN 27 - QB ALA 34 far 0 78 0 - 8.2-16.9 Violated in 20 structures by 1.06 A. Peak 10794 from aliabs.peaks (4.20, 4.51, 54.59 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.56: HA ALA 34 + HA ASP 35 OK 56 95 60 99 4.7-4.7 6380/3.0=69...(15) HB3 SER 38 - HA ASP 35 far 14 93 15 - 2.8-8.3 HB THR 25 - HA ASP 35 far 0 96 0 - 5.5-23.7 HA ALA 29 - HA ASP 35 far 0 68 0 - 6.7-14.6 Violated in 20 structures by 0.90 A. Peak 10795 from aliabs.peaks (4.00, 4.51, 54.59 ppm; 4.08 A): 0 out of 3 assignments used, quality = 0.00: HB2 SER 38 - HA ASP 35 far 5 100 5 - 4.1-9.6 HA ILE 37 - HA ASP 35 far 0 90 0 - 6.6-7.2 HA VAL 20 - HA ASP 35 far 0 93 0 - 7.8-28.4 Violated in 20 structures by 2.41 A. Peak 10796 from aliabs.peaks (4.11, 4.51, 54.59 ppm; 4.87 A): 0 out of 2 assignments used, quality = 0.00: HA CYS 79 - HA ASP 35 far 0 100 0 - 6.8-14.2 HA ILE 32 - HA ASP 35 far 0 100 0 - 7.5-9.1 Violated in 20 structures by 2.75 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 5 100 5 - 5.6-7.7 HA CYS 79 - HB2 ASP 35 far 0 100 0 - 9.7-16.8 Violated in 20 structures by 1.79 A. Peak 10798 from aliabs.peaks (4.10, 2.73, 40.26 ppm; 4.99 A): 2 out of 4 assignments used, quality = 0.62: HA CYS 79 + HB3 ASP 78 OK 43 53 100 82 5.2-5.8 ~7061=58, 9687/7056=56 HA ILE 32 + HB3 ASP 35 OK 34 97 45 77 5.3-8.5 893/10846=62...(6) HA ILE 80 - HB3 ASP 78 far 0 29 0 - 8.5-8.6 HA CYS 79 - HB3 ASP 35 far 0 98 0 - 9.3-16.3 Violated in 19 structures by 0.14 A. Peak 10799 from aliabs.peaks (1.81, 4.51, 54.59 ppm; 5.38 A): 2 out of 6 assignments used, quality = 1.00: 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 OK 39 100 40 97 5.8-10.5 ~10846=45, 10884/3.0=34...(16) HB2 CYS 79 - HA ASP 35 far 0 85 0 - 6.5-11.7 HB3 LYS 19 - HA ASP 35 far 0 100 0 - 7.2-26.1 HB3 ARG 23 - HA ASP 35 far 0 99 0 - 7.7-27.5 HB3 LYS 26 - HA ASP 35 far 0 100 0 - 8.1-19.2 Violated in 2 structures by 0.04 A. Peak 10800 from aliabs.peaks (1.66, 4.51, 54.59 ppm; 5.35 A): 0 out of 8 assignments used, quality = 0.00: HD3 LYS 36 - HA ASP 35 poor 20 100 20 - 5.1-7.4 HD2 LYS 36 - HA ASP 35 far 10 100 10 - 5.9-7.9 HD3 LYS 26 - HA ASP 35 far 5 100 5 - 4.9-20.2 HD2 LYS 26 - HA ASP 35 far 0 100 0 - 6.6-21.4 HD3 LYS 19 - HA ASP 35 far 0 97 0 - 8.8-29.3 HD3 LYS 24 - HA ASP 35 far 0 100 0 - 9.4-30.5 HD3 LYS 31 - HA ASP 35 far 0 100 0 - 9.4-15.0 HD2 LYS 31 - HA ASP 35 far 0 100 0 - 9.6-14.8 Violated in 18 structures by 0.42 A. Peak 10801 from aliabs.peaks (1.41, 4.51, 54.59 ppm; 3.93 A): 1 out of 9 assignments used, quality = 0.97: QB ALA 34 + HA ASP 35 OK 97 98 100 99 3.8-4.0 6381/3.0=77...(11) QB ALA 16 - HA ASP 35 far 5 93 5 - 4.5-28.5 HG2 LYS 36 - HA ASP 35 far 4 71 5 - 4.6-7.3 QB ALA 29 - HA ASP 35 far 0 65 0 - 4.9-13.0 HG2 LYS 26 - HA ASP 35 far 0 71 0 - 6.0-20.1 HG3 LYS 26 - HA ASP 35 far 0 73 0 - 6.9-21.2 HG13 ILE 32 - HA ASP 35 far 0 76 0 - 8.0-12.2 QB ALA 15 - HA ASP 35 far 0 73 0 - 9.1-28.7 QB ALA 28 - HA ASP 35 far 0 81 0 - 9.4-15.8 Violated in 1 structures by 0.00 A. Peak 10802 from aliabs.peaks (1.41, 2.65, 40.26 ppm; 5.80 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 34 + HB2 ASP 35 OK 99 99 100 100 3.9-5.4 6381/6383=99...(5) HG13 ILE 32 + HB2 ASP 35 OK 60 83 75 96 5.8-10.9 ~10846=81, ~10771=46...(7) HG2 LYS 26 - HB2 ASP 35 far 8 78 10 - 3.4-18.4 QB ALA 16 - HB2 ASP 35 far 4 89 5 - 5.8-27.7 HG3 LYS 26 - HB2 ASP 35 far 3 65 5 - 4.7-20.0 HG2 LYS 36 - HB2 ASP 35 far 3 63 5 - 3.9-8.0 QB ALA 28 - HB2 ASP 35 far 0 73 0 - 7.2-14.8 HG3 LYS 19 - HB2 ASP 35 far 0 60 0 - 7.5-26.7 HG3 LYS 31 - HB2 ASP 35 far 0 76 0 - 8.5-12.5 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 16 assignments used, quality = 0.97: QB ALA 34 + HB3 ASP 35 OK 92 92 100 100 3.8-5.7 10801/961=90...(5) HG13 ILE 32 + HB3 ASP 35 OK 40 60 70 96 5.3-11.3 2.1/10846=87...(6) QB ALA 29 + HB3 ASP 35 OK 35 81 75 57 2.7-12.7 10730/10846=55, 10831/10883=3 HG2 LYS 86 - HB3 ASP 78 poor 10 48 20 - 5.8-6.9 QB ALA 16 - HB3 ASP 35 far 5 99 5 - 4.6-26.7 QB ALA 34 - HB3 ASP 78 far 5 47 10 - 5.6-12.4 HG3 LYS 26 - HB3 ASP 35 far 4 87 5 - 4.8-19.8 HG2 LYS 36 - HB3 ASP 35 far 4 85 5 - 3.4-7.8 HG2 LYS 19 - HB3 ASP 35 far 0 60 0 - 6.4-26.9 QB ALA 28 - HB3 ASP 35 far 0 92 0 - 7.2-14.9 QB ALA 16 - HB3 ASP 78 far 0 54 0 - 8.0-33.8 HG2 LYS 19 - HB3 ASP 78 far 0 27 0 - 8.1-35.5 HG3 LYS 31 - HB3 ASP 35 far 0 93 0 - 8.2-13.7 QB ALA 15 - HB3 ASP 35 far 0 87 0 - 8.6-27.7 QB ALA 15 - HB3 ASP 78 far 0 43 0 - 9.1-36.9 HG2 LYS 24 - HB3 ASP 35 far 0 76 0 - 9.7-27.4 Violated in 2 structures by 0.02 A. Peak 10804 from aliabs.peaks (1.89, 4.51, 54.59 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.96: HB3 LYS 36 + HA ASP 35 OK 96 97 100 100 5.9-6.3 6393/6388=95...(8) HB2 GLU 40 - HA ASP 35 far 0 100 0 - 7.1-14.8 Violated in 20 structures by 0.60 A. Peak 10806 from aliabs.peaks (1.16, 4.51, 54.59 ppm; 6.01 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 41 - HA ASP 35 far 12 83 15 - 3.6-8.7 QG2 THR 25 - HA ASP 35 far 4 81 5 - 4.7-21.2 HG12 ILE 32 - HA ASP 35 far 0 100 0 - 8.2-11.6 QG2 THR 18 - HA ASP 35 far 0 98 0 - 9.6-25.3 HG2 LYS 39 - HA ASP 35 far 0 81 0 - 9.9-14.6 Violated in 18 structures by 1.06 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 37 + HA ASP 35 OK 100 100 100 100 5.2-5.9 10792/10794=87...(12) QD1 ILE 32 + HA ASP 35 OK 84 100 85 99 5.7-10.4 10846/3.0=93, ~11784=32...(12) Violated in 0 structures by 0.00 A. Peak 10810 from aliabs.peaks (0.84, 1.88, 32.86 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.31: QG2 ILE 32 + HB3 LYS 36 OK 31 100 35 88 2.9-7.8 10892/6393=54...(5) QD2 LEU 69 - HB3 LYS 36 far 0 76 0 - 8.3-14.3 QD2 LEU 22 - HB3 LYS 36 far 0 100 0 - 9.9-23.6 Violated in 19 structures by 1.36 A. Peak 10812 from aliabs.peaks (0.85, 1.66, 28.74 ppm; 3.79 A): 3 out of 29 assignments used, quality = 0.70: QD2 LEU 22 + HD2 LYS 24 OK 35 96 55 66 3.0-8.0 ~10703=15, ~10900=12...(13) QG2 ILE 32 + HD2 LYS 26 OK 34 86 40 97 2.3-14.4 10837=41, 2.1/10833=41...(29) QG2 ILE 32 + HD3 LYS 26 OK 29 87 35 96 2.6-13.3 10837=41, ~10833=36...(28) QG2 ILE 32 - HD2 LYS 31 poor 16 81 20 - 3.8-8.6 QD1 LEU 98 - HD2 LYS 95 poor 16 78 20 - 4.0-7.7 QD2 LEU 22 - HD3 LYS 24 poor 15 88 25 66 2.8-8.3 ~10703=15, ~10900=12...(13) QG2 ILE 32 - HD2 LYS 36 far 14 95 15 - 1.8-6.7 QG2 ILE 32 - HD3 LYS 36 far 14 94 15 - 2.9-7.7 QG2 ILE 32 - HD3 LYS 31 far 13 85 15 - 4.0-8.4 QD1 LEU 98 - HD3 LYS 95 far 13 85 15 - 3.1-7.8 QD2 LEU 22 - HD3 LYS 26 far 4 90 5 - 4.6-14.4 QD2 LEU 22 - HD2 LYS 31 far 4 84 5 - 4.6-19.8 QD2 LEU 22 - HD3 LYS 31 far 0 88 0 - 4.8-20.0 QG2 ILE 32 - HD3 LYS 24 far 0 85 0 - 5.1-19.7 QD2 LEU 22 - HD2 LYS 26 far 0 89 0 - 5.5-14.8 QG2 ILE 32 - HD3 LYS 19 far 0 70 0 - 5.7-20.3 QG2 ILE 32 - HD2 LYS 19 far 0 76 0 - 6.4-19.5 QD2 LEU 22 - HD2 LYS 19 far 0 79 0 - 6.6-11.6 QG2 ILE 32 - HD2 LYS 24 far 0 94 0 - 6.6-19.7 QD2 LEU 70 - HD2 LYS 95 far 0 79 0 - 7.4-9.5 QD2 LEU 22 - HD3 LYS 19 far 0 72 0 - 7.5-12.0 QD2 LEU 70 - HD3 LYS 95 far 0 86 0 - 7.6-9.7 QG2 ILE 129 - HD2 LYS 95 far 0 44 0 - 7.8-10.6 QG2 ILE 129 - HD3 LYS 95 far 0 49 0 - 8.0-11.0 QD2 LEU 69 - HD3 LYS 36 far 0 93 0 - 8.1-11.9 QD2 LEU 69 - HD2 LYS 36 far 0 93 0 - 9.4-12.6 QD2 LEU 70 - HD3 LYS 19 far 0 77 0 - 9.7-30.8 QD2 LEU 70 - HD3 LYS 24 far 0 93 0 - 9.7-31.0 QD2 LEU 70 - HD2 LYS 24 far 0 100 0 - 9.9-31.5 Violated in 9 structures by 0.50 A. Peak 10813 from aliabs.peaks (0.78, 2.96, 41.80 ppm; 4.01 A): 6 out of 28 assignments used, quality = 1.00: QD1 ILE 37 + HE2 LYS 36 OK 93 97 100 95 2.0-4.0 10704/4.0=34...(18) QD1 ILE 37 + HE3 LYS 36 OK 93 97 100 95 2.5-4.4 10704/4.0=34...(18) QD1 ILE 32 + HE2 LYS 26 OK 42 97 45 95 2.3-12.7 930/10757=32, ~10767=30...(21) QD1 ILE 32 + HE3 LYS 26 OK 28 97 30 96 2.3-11.5 ~10767=30, ~10833=23...(22) QD1 ILE 32 + HE2 LYS 31 OK 23 97 30 79 3.0-9.6 9008=17, 930/10766=14...(21) QD1 ILE 32 + HE3 LYS 31 OK 22 93 30 79 3.1-9.9 9008=14, 930/10840=14...(30) QD1 ILE 32 - HE2 LYS 36 far 10 97 10 - 4.3-10.7 QD1 ILE 37 - HE2 LYS 26 far 5 97 5 - 4.3-20.4 QD1 ILE 37 - HE3 LYS 26 far 5 97 5 - 3.3-20.2 QD1 ILE 32 - HE3 LYS 19 far 5 96 5 - 4.1-17.6 QD1 ILE 37 - HE3 LYS 19 far 5 96 5 - 4.5-20.5 QD1 ILE 32 - HE3 LYS 24 far 0 78 0 - 4.9-19.2 QD1 ILE 37 - HE2 LYS 19 far 0 96 0 - 5.2-21.8 QD1 ILE 32 - HE2 LYS 19 far 0 96 0 - 5.4-19.1 QD1 ILE 32 - HE3 LYS 36 far 0 97 0 - 5.4-10.7 QD1 ILE 32 - HE2 LYS 24 far 0 93 0 - 6.0-18.9 QD1 ILE 37 - HE3 LYS 31 far 0 93 0 - 6.9-11.5 QD1 ILE 37 - HE2 LYS 31 far 0 97 0 - 7.4-11.3 QD1 ILE 37 - HE2 LYS 24 far 0 93 0 - 7.9-24.1 QG1 VAL 93 - HE2 LYS 19 far 0 61 0 - 8.0-29.3 QG1 VAL 93 - HE3 LYS 86 far 0 37 0 - 8.0-11.4 QD2 LEU 49 - HE2 LYS 36 far 0 85 0 - 8.6-14.7 QG1 VAL 63 - HE3 LYS 24 far 0 83 0 - 8.8-32.7 QD1 ILE 37 - HE3 LYS 24 far 0 78 0 - 9.0-24.6 QG1 VAL 93 - HE3 LYS 19 far 0 61 0 - 9.1-29.6 QD2 LEU 49 - HE3 LYS 36 far 0 85 0 - 9.6-14.8 QD2 LEU 49 - HE3 LYS 26 far 0 84 0 - 9.6-33.5 QG1 VAL 63 - HE2 LYS 24 far 0 96 0 - 9.8-33.6 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 5 assignments used, quality = 0.99: QB ALA 41 + HA ILE 37 OK 99 99 100 100 2.4-3.3 10819/1089=87...(13) HB3 LEU 62 - HA SER 60 far 0 43 0 - 5.7-7.2 QG2 THR 25 - HA SER 60 far 0 67 0 - 6.4-33.2 HG12 ILE 32 - HA ILE 37 far 0 93 0 - 8.4-13.3 HG3 LYS 39 - HA ILE 37 far 0 99 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 10816 from aliabs.peaks (1.41, 1.97, 37.79 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.70: QB ALA 34 + HB ILE 37 OK 70 100 70 100 4.5-5.5 10877=98, 2.1/10789=87...(22) QB ALA 16 - HB ILE 37 far 0 85 0 - 7.9-30.2 HG3 LYS 19 - HB ILE 37 far 0 65 0 - 8.5-28.9 Violated in 20 structures by 0.78 A. Peak 10817 from aliabs.peaks (1.39, 4.02, 61.09 ppm; 5.08 A): 1 out of 13 assignments used, quality = 0.94: HG2 LYS 36 + HA ILE 37 OK 94 99 95 100 2.8-6.1 10820/1089=91...(28) HB2 LEU 42 - HA ILE 37 far 9 95 10 - 5.7-7.6 QB ALA 110 - HA SER 60 far 7 70 10 - 4.0-11.4 QB ALA 108 - HA SER 60 far 3 69 5 - 5.6-10.6 QB ALA 34 - HA ILE 37 far 0 63 0 - 6.1-6.7 QB ALA 109 - HA SER 60 far 0 71 0 - 6.7-10.0 QB ALA 15 - HA SER 60 far 0 70 0 - 7.7-36.9 HB3 LEU 100 - HA SER 60 far 0 63 0 - 8.1-11.8 QB ALA 29 - HA ILE 37 far 0 99 0 - 8.6-13.9 HG2 LYS 24 - HA SER 60 far 0 66 0 - 9.0-40.7 QB ALA 29 - HA SER 60 far 0 68 0 - 9.3-26.2 QB ALA 28 - HA SER 60 far 0 71 0 - 9.4-28.0 QB ALA 16 - HA ILE 37 far 0 100 0 - 9.5-30.1 Violated in 1 structures by 0.05 A. Peak 10818 from aliabs.peaks (1.66, 0.93, 17.29 ppm; 3.99 A): 2 out of 10 assignments used, quality = 1.00: HD3 LYS 36 + QG2 ILE 37 OK 98 100 100 98 2.6-4.8 3.0/10820=65...(20) HD2 LYS 36 + QG2 ILE 37 OK 78 100 80 98 3.8-6.1 3.0/10820=65...(21) HB2 LEU 69 - QG2 ILE 37 far 0 99 0 - 6.3-8.9 HG LEU 43 - QG2 ILE 37 far 0 93 0 - 7.1-9.0 HD3 LYS 26 - QG2 ILE 37 far 0 100 0 - 7.4-21.8 HD2 LYS 19 - QG2 ILE 37 far 0 99 0 - 7.9-24.2 HD3 LYS 19 - QG2 ILE 37 far 0 98 0 - 7.9-24.7 HD2 LYS 26 - QG2 ILE 37 far 0 100 0 - 7.9-22.4 HD2 LYS 39 - QG2 ILE 37 far 0 78 0 - 8.3-10.8 HD2 LYS 86 - QG2 ILE 37 far 0 100 0 - 9.7-13.1 Violated in 2 structures by 0.03 A. Peak 10819 from aliabs.peaks (1.18, 0.93, 17.29 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.90: QB ALA 41 + QG2 ILE 37 OK 90 100 90 100 2.3-4.5 9069=92, 9070/1094=47...(18) QG2 VAL 77 - QG2 ILE 37 far 0 97 0 - 7.0-8.6 HG3 LYS 39 - QG2 ILE 37 far 0 93 0 - 7.1-8.9 HG12 ILE 32 - QG2 ILE 37 far 0 81 0 - 8.1-11.2 QG2 THR 18 - QG2 ILE 37 far 0 97 0 - 8.6-20.5 QG2 THR 25 - QG2 ILE 37 far 0 100 0 - 8.9-18.0 Violated in 8 structures by 0.25 A. Peak 10820 from aliabs.peaks (1.39, 0.93, 17.29 ppm; 3.63 A): 1 out of 9 assignments used, quality = 0.76: HG2 LYS 36 + QG2 ILE 37 OK 76 98 80 97 3.3-6.5 6406/6414=44...(21) HB2 LEU 42 - QG2 ILE 37 far 14 90 15 - 4.4-6.5 QB ALA 34 - QG2 ILE 37 far 4 71 5 - 4.4-5.5 QB ALA 29 - QG2 ILE 37 far 0 97 0 - 7.7-11.8 QB ALA 16 - QG2 ILE 37 far 0 100 0 - 7.8-24.7 HG2 LYS 19 - QG2 ILE 37 far 0 85 0 - 8.7-23.5 HG2 LYS 86 - QG2 ILE 37 far 0 73 0 - 9.2-11.0 HG3 LYS 26 - QG2 ILE 37 far 0 99 0 - 9.3-21.2 QB ALA 15 - QG2 ILE 37 far 0 99 0 - 9.8-24.2 Violated in 19 structures by 0.86 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 2.6-3.6 10872/10910=50...(19) QD1 ILE 129 - QG2 ILE 37 far 0 93 0 - 8.4-9.5 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 6 assignments used, quality = 0.00: HB2 LYS 36 - QG2 ILE 37 far 9 93 10 - 4.9-5.8 HB2 CYS 79 - QG2 ILE 37 far 0 100 0 - 5.7-7.7 HB3 LYS 19 - QG2 ILE 37 far 0 73 0 - 7.0-21.5 HB ILE 32 - QG2 ILE 37 far 0 83 0 - 7.8-9.7 HB3 LYS 26 - QG2 ILE 37 far 0 90 0 - 9.3-20.1 HB VAL 93 - QG2 ILE 37 far 0 100 0 - 9.6-10.9 Violated in 20 structures by 0.92 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 1.9-5.1 2.6/9019=81, 1.8/9011=80...(15) HB2 CYS 73 - QG2 ILE 37 far 0 99 0 - 6.3-7.4 HB3 ASP 35 - QG2 ILE 37 far 0 85 0 - 7.7-8.3 HB3 ASP 78 - QG2 ILE 37 far 0 76 0 - 8.0-9.9 Violated in 6 structures by 0.14 A. Peak 10824 from aliabs.peaks (2.60, 0.93, 17.29 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.57: HB3 CYS 79 + QG2 ILE 37 OK 38 100 75 50 4.8-6.7 11818/10833=28...(3) HB2 ASP 71 + QG2 ILE 37 OK 31 96 45 73 4.8-7.2 4.6/9023=50, 11925/9022=45 Violated in 11 structures by 0.16 A. Peak 10825 from aliabs.peaks (3.36, 0.93, 17.29 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.90: HB3 TYR 72 + QG2 ILE 37 OK 90 90 100 100 3.3-4.3 1.8/9010=80, 2.7/9022=73...(32) HB2 HIS 67 - QG2 ILE 37 far 0 93 0 - 9.1-11.8 HB3 PHE 89 - QG2 ILE 37 far 0 87 0 - 9.2-10.7 Violated in 1 structures by 0.01 A. Peak 10826 from aliabs.peaks (3.47, 0.93, 17.29 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.94: HA LEU 42 + QG2 ILE 37 OK 94 100 95 99 3.7-5.5 1324/10821=59...(10) HA VAL 77 - QG2 ILE 37 far 0 89 0 - 6.6-8.5 HA ILE 129 - QG2 ILE 37 far 0 95 0 - 9.8-11.0 Violated in 11 structures by 0.17 A. Peak 10827 from aliabs.peaks (1.15, 1.27, 27.60 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.33: QB ALA 41 + HG12 ILE 37 OK 33 73 45 100 4.3-6.0 10910/1092=83...(10) QG2 THR 25 - HG12 ILE 37 far 0 71 0 - 8.4-19.1 QG2 THR 18 - HG12 ILE 37 far 0 95 0 - 8.7-23.4 HG12 ILE 32 - HG12 ILE 37 far 0 100 0 - 8.8-10.2 Violated in 19 structures by 0.89 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 0 92 0 - 5.5-6.4 QG2 THR 18 - HG13 ILE 37 far 0 100 0 - 8.3-23.2 QG2 VAL 77 - HG13 ILE 37 far 0 71 0 - 8.7-11.4 QG2 THR 25 - HG13 ILE 37 far 0 90 0 - 8.9-19.9 HG12 ILE 32 - HG13 ILE 37 far 0 99 0 - 9.8-10.9 Violated in 20 structures by 1.42 A. Peak 10829 from aliabs.peaks (1.66, 0.77, 12.10 ppm; 4.13 A): 4 out of 23 assignments used, quality = 1.00: HD2 LYS 36 + QD1 ILE 37 OK 99 100 100 99 1.9-3.2 3.0/10704=43...(24) HD3 LYS 36 + QD1 ILE 37 OK 99 100 100 99 1.8-2.0 3.0/10704=43...(22) HD3 LYS 26 + QD1 ILE 32 OK 40 76 55 96 2.9-11.0 ~10833=34, 10837/909=33...(29) HD2 LYS 26 + QD1 ILE 32 OK 37 76 50 98 2.1-12.1 10833/3.2=42, ~10767=41...(28) HD2 LYS 31 - QD1 ILE 32 poor 19 75 30 85 4.3-9.1 10842/2.1=15...(36) HD3 LYS 31 - QD1 ILE 32 far 11 76 15 - 4.0-9.3 HD2 LYS 36 - QD1 ILE 32 far 8 76 10 - 3.3-9.0 HD3 LYS 26 - QD1 ILE 37 far 5 100 5 - 4.9-19.4 HD3 LYS 36 - QD1 ILE 32 far 4 76 5 - 4.8-10.0 HD3 LYS 19 - QD1 ILE 32 far 0 69 0 - 5.2-19.2 HD2 LYS 19 - QD1 ILE 32 far 0 71 0 - 5.4-18.5 HD3 LYS 24 - QD1 ILE 32 far 0 74 0 - 5.5-17.4 HD2 LYS 26 - QD1 ILE 37 far 0 100 0 - 5.5-20.0 HD2 LYS 19 - QD1 ILE 37 far 0 97 0 - 6.5-21.9 HD2 LYS 24 - QD1 ILE 32 far 0 76 0 - 6.9-17.4 HD3 LYS 19 - QD1 ILE 37 far 0 96 0 - 7.0-22.5 HD2 LYS 31 - QD1 ILE 37 far 0 100 0 - 7.6-12.2 HB2 LEU 69 - QD1 ILE 37 far 0 97 0 - 7.7-10.6 HB2 LEU 69 - QD1 ILE 32 far 0 71 0 - 8.1-19.2 HD3 LYS 31 - QD1 ILE 37 far 0 100 0 - 8.3-12.1 HD3 LYS 24 - QD1 ILE 37 far 0 99 0 - 9.1-22.8 HG LEU 43 - QD1 ILE 37 far 0 89 0 - 9.7-10.5 HD2 LYS 24 - QD1 ILE 37 far 0 100 0 - 9.9-23.0 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 14 assignments used, quality = 1.00: HA ALA 34 + QD1 ILE 37 OK 100 100 100 100 1.9-3.2 10873=88, 9004/1094=47...(16) HA ALA 29 + QD1 ILE 32 OK 59 60 100 99 1.9-2.4 2.1/10739=74, 10737=56...(15) HA GLU 30 - QD1 ILE 32 far 11 74 15 - 3.9-6.6 HB THR 25 - QD1 ILE 32 far 6 56 10 - 2.4-11.2 HB3 SER 38 - QD1 ILE 37 far 0 99 0 - 5.2-6.6 HA ALA 34 - QD1 ILE 32 far 0 75 0 - 5.6-7.8 HA HIS 67 - QD1 ILE 32 far 0 76 0 - 7.0-19.6 HB THR 25 - QD1 ILE 37 far 0 83 0 - 7.5-18.9 HA ALA 29 - QD1 ILE 37 far 0 87 0 - 7.6-10.2 HB3 SER 38 - QD1 ILE 32 far 0 74 0 - 8.1-12.5 HB THR 18 - QD1 ILE 32 far 0 41 0 - 8.3-22.0 HB THR 18 - QD1 ILE 37 far 0 63 0 - 9.2-23.7 HA GLU 30 - QD1 ILE 37 far 0 99 0 - 9.2-11.8 HA HIS 67 - QD1 ILE 37 far 0 100 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 10831 from aliabs.peaks (4.52, 0.77, 12.10 ppm; 4.59 A): 2 out of 6 assignments used, quality = 0.92: HA ASP 35 + QD1 ILE 37 OK 71 97 75 98 5.2-5.9 9012/6417=60...(12) HA TYR 72 + QD1 ILE 37 OK 71 71 100 100 2.3-4.5 3.4/10839=70...(20) HA SER 38 - QD1 ILE 37 far 0 68 0 - 5.5-6.2 HA ASP 35 - QD1 ILE 32 far 0 70 0 - 5.7-10.4 HA TYR 72 - QD1 ILE 32 far 0 47 0 - 7.0-13.3 HA SER 38 - QD1 ILE 32 far 0 45 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 10832 from aliabs.peaks (4.52, 1.55, 27.60 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.86: HA TYR 72 + HG13 ILE 37 OK 70 78 90 100 3.5-5.8 9015/3.2=48, ~10839=44...(25) HA ASP 35 + HG13 ILE 37 OK 54 93 60 97 5.3-6.2 9012/6416=65...(9) HA SER 38 - HG13 ILE 37 far 4 76 5 - 4.7-6.6 Violated in 3 structures by 0.06 A. Peak 10833 from aliabs.peaks (4.31, 0.93, 17.29 ppm; 3.57 A): 1 out of 6 assignments used, quality = 0.79: HA TYR 76 + QG2 ILE 37 OK 79 99 80 99 3.1-5.0 3.1/9019=54...(18) HA2 GLY 75 - QG2 ILE 37 poor 19 96 20 - 4.2-6.8 HA LYS 36 - QG2 ILE 37 far 0 60 0 - 5.1-6.1 HA SER 74 - QG2 ILE 37 far 0 71 0 - 6.2-7.9 HA THR 25 - QG2 ILE 37 far 0 76 0 - 9.1-21.1 HA LYS 24 - QG2 ILE 37 far 0 90 0 - 9.8-22.4 Violated in 17 structures by 0.51 A. Peak 10834 from aliabs.peaks (4.29, 1.97, 37.79 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 36 + HB ILE 37 OK 94 99 95 100 5.9-6.5 6403/6413=98...(18) HA TYR 76 + HB ILE 37 OK 92 92 100 100 3.3-5.6 11155/2.1=80, ~9019=66...(17) HA SER 74 - HB ILE 37 far 0 100 0 - 8.9-10.4 HA LYS 19 - HB ILE 37 far 0 81 0 - 9.8-27.6 Violated in 0 structures by 0.00 A. Peak 10835 from aliabs.peaks (4.28, 4.02, 61.09 ppm; 4.59 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 36 + HA ILE 37 OK 99 99 100 100 4.6-5.1 6403/2.9=90...(15) HA GLN 61 + HA SER 60 OK 69 71 100 98 4.7-4.9 4.9=81, 6819/6818=40...(8) HA ALA 108 - HA SER 60 far 0 71 0 - 5.6-12.6 HA ALA 110 - HA SER 60 far 0 69 0 - 5.9-13.7 HA ALA 109 - HA SER 60 far 0 71 0 - 8.6-11.9 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 4.4-5.6 10839/2.1=94...(37) Violated in 1 structures by 0.01 A. Peak 10837 from aliabs.peaks (6.80, 1.27, 27.60 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 72 + HG12 ILE 37 OK 100 100 100 100 4.6-6.0 9025/2.1=94...(19) Violated in 3 structures by 0.05 A. Peak 10838 from aliabs.peaks (6.47, 1.27, 27.60 ppm; 6.60 A): 2 out of 2 assignments used, quality = 0.74: QD TYR 76 + HG12 ILE 37 OK 63 63 100 100 5.2-7.4 ~9011=75, ~10823=74...(18) QE TYR 76 + HG12 ILE 37 OK 30 100 30 100 6.2-9.3 11888/1.8=90, ~10841=87...(9) Violated in 6 structures by 0.05 A. Peak 10839 from aliabs.peaks (7.13, 0.77, 12.10 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 72 + QD1 ILE 37 OK 98 98 100 100 1.9-3.8 9022/1094=63...(37) QD TYR 72 - QD1 ILE 32 far 0 72 0 - 5.3-11.5 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 4 assignments used, quality = 1.00: QE TYR 72 + QD1 ILE 37 OK 100 100 100 100 2.0-3.9 2.2/10839=81...(21) QE TYR 72 - QD1 ILE 32 far 11 75 15 - 3.9-11.1 HE21 GLN 68 - QD1 ILE 32 far 11 73 15 - 3.9-19.1 HE21 GLN 68 - QD1 ILE 37 far 0 99 0 - 7.4-10.7 Violated in 0 structures by 0.00 A. Peak 10841 from aliabs.peaks (6.49, 0.77, 12.10 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.24: QD TYR 76 + QD1 ILE 37 OK 24 97 25 100 5.0-6.3 9019/1094=86, ~9011=40...(21) QE TYR 76 - QD1 ILE 37 far 0 92 0 - 6.5-8.0 Violated in 20 structures by 1.14 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 5.5-6.5 9021/2.1=98, ~9022=97...(21) 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 4.2-5.2 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 = 0.90: QB ALA 41 + HA SER 38 OK 90 100 90 100 3.9-5.3 10864=93, 9040/3.0=63...(15) HG3 LYS 39 - HA SER 38 far 0 92 0 - 6.2-7.0 QG2 VAL 77 - HA SER 38 far 0 97 0 - 9.9-11.0 Violated in 4 structures by 0.12 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 4.1-5.3 6423/3.0=89...(23) Violated in 1 structures by 0.02 A. Peak 10847 from aliabs.peaks (3.81, 3.40, 59.63 ppm; 6.26 A): 1 out of 2 assignments used, quality = 0.73: HA GLU 40 + HA LYS 39 OK 73 73 100 100 4.7-4.9 4.9=100 HB2 SER 130 - HA LYS 39 far 9 95 10 - 6.6-9.5 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 2 assignments used, quality = 1.00: QE TYR 76 + HB2 LYS 39 OK 99 100 100 100 2.2-4.7 9036/3.0=72...(11) QD TYR 76 + HB2 LYS 39 OK 23 57 40 100 4.4-6.9 ~9037=48, ~9036=48...(15) 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 2.8-5.1 9036/4.0=84, 9037/2.9=80...(18) QD TYR 76 + HG2 LYS 39 OK 57 57 100 100 5.1-7.1 ~9037=60, ~9037=56...(19) Violated in 0 structures by 0.00 A. Peak 10851 from aliabs.peaks (6.48, 1.68, 29.61 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HD2 LYS 39 OK 100 100 100 100 4.9-6.1 9037/3.6=77, 9036/5.3=72...(13) QD TYR 76 + HD2 LYS 39 OK 25 68 40 93 6.8-8.2 ~10850=38, 2.2/11163=36...(9) Violated in 0 structures by 0.00 A. Peak 10853 from aliabs.peaks (3.83, 2.02, 28.21 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 40 - HB2 GLU 44 poor 20 99 20 - 4.6-6.7 HB2 SER 130 - HB2 GLU 44 far 0 94 0 - 7.4-10.5 HD2 PRO 81 - HG2 ARG 90 far 0 59 0 - 9.3-11.5 HB2 SER 130 - HB3 GLU 40 far 0 97 0 - 9.8-11.7 HB2 SER 50 - HB2 GLU 44 far 0 97 0 - 9.9-12.9 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 = 0.82: QG1 VAL 93 + HG3 GLU 97 OK 58 58 100 99 2.0-4.4 9972=60, 11850/1.8=42...(19) QD2 LEU 96 + HG3 GLU 97 OK 57 60 95 100 3.0-6.1 11809/3.8=43...(27) QD2 LEU 43 - HG3 GLU 40 far 0 90 0 - 6.0-8.0 HG12 ILE 129 - HG3 GLU 97 far 0 66 0 - 8.1-10.9 QD2 LEU 103 - HG3 GLU 97 far 0 82 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 10855 from aliabs.peaks (1.16, 2.39, 35.43 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.57: HG3 LYS 39 + HG3 GLU 40 OK 37 99 70 54 4.9-8.3 9056/1269=26...(4) QB ALA 41 + HG3 GLU 40 OK 32 81 40 100 3.0-6.3 3.0/1274=64, ~6471=43...(19) HG2 LYS 39 - HG3 GLU 40 far 8 83 10 - 5.2-7.5 QG2 VAL 132 - HG3 GLU 97 far 0 71 0 - 9.6-12.4 Violated in 12 structures by 0.11 A. Peak 10856 from aliabs.peaks (1.89, 1.18, 17.90 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLU 40 + QB ALA 41 OK 96 96 100 100 4.5-5.4 9054=89, 6470/3.0=78...(20) HB3 LYS 36 + QB ALA 41 OK 48 100 60 80 3.2-6.8 6405/10904=65...(5) HB3 LEU 48 - QB ALA 41 far 0 99 0 - 7.7-10.9 Violated in 0 structures by 0.00 A. Peak 10857 from aliabs.peaks (2.03, 1.18, 17.90 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.87: HB3 GLU 40 + QB ALA 41 OK 79 99 80 100 3.6-5.4 6471/3.0=55, 1.8/9054=43...(21) HB2 GLU 44 + QB ALA 41 OK 40 100 40 100 3.9-5.7 ~1409=47, ~1409=42...(19) HB ILE 129 - QB ALA 41 far 0 68 0 - 9.4-10.7 HG3 PRO 81 - QB ALA 41 far 0 81 0 - 9.8-14.1 Violated in 13 structures by 0.07 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 4.7-4.9 4.9=100 Violated in 0 structures by 0.00 A. Peak 10859 from aliabs.peaks (2.46, 1.18, 17.90 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.81: HG3 GLU 44 + QB ALA 41 OK 81 81 100 100 4.6-6.6 1.8/10949=96...(18) Violated in 17 structures by 0.37 A. Peak 10860 from aliabs.peaks (2.29, 1.18, 17.90 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 40 + QB ALA 41 OK 100 100 100 100 3.0-6.1 9059=72, 3.0/9054=71...(19) HG2 GLU 44 + QB ALA 41 OK 62 65 95 100 4.6-6.3 1.8/9141=74, ~9064=66...(21) Violated in 0 structures by 0.00 A. Peak 10861 from aliabs.peaks (4.04, 3.91, 54.50 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.89: HA GLU 44 + HA ALA 41 OK 80 100 80 100 5.0-5.9 3.0/1409=86, 2.8/6515=82...(16) HA ILE 37 + HA ALA 41 OK 45 90 50 100 5.3-6.3 10815/2.1=70, ~10819=58...(10) Violated in 15 structures by 0.12 A. Peak 10862 from aliabs.peaks (4.00, 1.18, 17.90 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.99: HB2 SER 38 + QB ALA 41 OK 93 100 95 98 2.3-4.6 9043=56, 3.0/10864=51...(10) HA ILE 37 + QB ALA 41 OK 84 85 100 99 2.4-3.3 3.2/10819=58...(12) HA GLN 68 - QB ALA 41 far 0 100 0 - 7.7-9.0 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 = 0.64: HB3 TYR 72 + QB ALA 41 OK 64 68 95 99 5.0-6.1 2.7/9062=87...(5) Violated in 18 structures by 0.31 A. Peak 10864 from aliabs.peaks (4.53, 1.18, 17.90 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.86: HA SER 38 + QB ALA 41 OK 86 96 90 99 3.9-5.3 10845=73, 3.0/9040=53...(15) HA ASP 35 - QB ALA 41 far 4 71 5 - 3.6-8.7 HA TYR 72 - QB ALA 41 far 0 97 0 - 5.1-6.8 Violated in 20 structures by 0.31 A. Peak 10865 from aliabs.peaks (4.30, 3.91, 54.50 ppm; 5.73 A): 0 out of 4 assignments used, quality = 0.00: HA LYS 36 - HA ALA 41 far 13 85 15 - 4.4-9.9 HA THR 25 - HA ALA 41 far 0 95 0 - 8.8-29.0 HA LYS 24 - HA ALA 41 far 0 68 0 - 9.8-29.2 HA TYR 76 - HA ALA 41 far 0 100 0 - 9.8-11.6 Violated in 18 structures by 2.19 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 4.4-6.4 9063/2.1=100, ~9062=91...(7) HE21 GLN 68 - HA ALA 41 far 0 90 0 - 7.7-11.4 Violated in 0 structures by 0.00 A. Peak 10867 from aliabs.peaks (8.29, 3.91, 54.50 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: H GLU 40 + HA ALA 41 OK 98 99 100 99 5.2-5.5 6463/2.9=88...(9) H LEU 43 + HA ALA 41 OK 97 99 100 98 4.6-5.1 3.9/6515=72, 6496/2.9=58...(11) H TYR 72 - HA ALA 41 far 0 65 0 - 8.7-10.4 H LEU 69 - HA ALA 41 far 0 100 0 - 9.4-10.8 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 3.2-5.3 9108/2.1=93, 9111/2.1=88...(30) Violated in 0 structures by 0.00 A. Peak 10869 from aliabs.peaks (3.38, 1.49, 28.46 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.70: HA LYS 39 + HG LEU 42 OK 70 93 75 100 4.5-6.3 10870/2.1=84...(8) Violated in 17 structures by 0.63 A. Peak 10870 from aliabs.peaks (3.40, 0.56, 24.08 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QD2 LEU 42 OK 100 100 100 100 2.5-4.0 4.0/10873=56...(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 8 assignments used, quality = 0.00: HB3 LYS 39 - QD2 LEU 42 far 15 99 15 - 3.4-6.2 HG3 GLN 134 - QD2 LEU 42 far 0 99 0 - 5.3-7.6 HG3 PRO 81 - QD2 LEU 42 far 0 81 0 - 6.0-11.2 HB3 GLU 44 - QD2 LEU 42 far 0 100 0 - 6.8-8.5 HB2 GLU 128 - QD2 LEU 42 far 0 97 0 - 7.3-9.3 HB2 PRO 81 - QD2 LEU 42 far 0 84 0 - 7.4-12.4 HB2 GLN 127 - QD2 LEU 42 far 0 78 0 - 9.0-10.3 HB3 GLN 82 - QD2 LEU 42 far 0 85 0 - 9.0-12.7 Violated in 18 structures by 0.59 A. Peak 10872 from aliabs.peaks (1.16, 0.63, 27.44 ppm; 4.26 A): 1 out of 7 assignments used, quality = 0.82: QB ALA 41 + QD1 LEU 42 OK 82 85 100 97 4.4-4.9 10910/10821=61...(10) HG3 LYS 39 - QD1 LEU 42 far 0 100 0 - 5.2-7.3 QG2 VAL 77 - QD1 LEU 42 far 0 60 0 - 5.4-7.0 HG2 LYS 39 - QD1 LEU 42 far 0 78 0 - 6.2-7.6 QG2 VAL 132 - QD1 LEU 42 far 0 89 0 - 6.4-7.5 QG1 VAL 132 - QD1 LEU 42 far 0 60 0 - 6.5-8.0 QG2 THR 25 - QD1 LEU 42 far 0 83 0 - 9.9-21.1 Violated in 20 structures by 0.35 A. Peak 10873 from aliabs.peaks (1.16, 0.56, 24.08 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.58: HG3 LYS 39 + QD2 LEU 42 OK 58 100 65 89 3.4-5.7 10567/10587=41...(10) HG2 LYS 39 - QD2 LEU 42 poor 14 68 20 - 4.0-5.9 QG2 VAL 132 - QD2 LEU 42 far 0 81 0 - 5.1-6.2 QB ALA 41 - QD2 LEU 42 far 0 92 0 - 5.4-5.8 QG2 VAL 77 - QD2 LEU 42 far 0 71 0 - 5.7-6.9 QG2 THR 25 - QD2 LEU 42 far 0 90 0 - 9.6-22.9 Violated in 18 structures by 0.72 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 1.8-2.7 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; 4.60 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 72 + QD2 LEU 42 OK 99 99 100 100 4.2-5.0 1.8/9095=82...(22) Violated in 5 structures by 0.03 A. Peak 10876 from aliabs.peaks (3.90, 0.56, 24.08 ppm; 4.28 A): 0 out of 6 assignments used, quality = 0.00: HA ALA 46 - QD2 LEU 42 far 5 99 5 - 5.1-7.0 HA LEU 70 - QD2 LEU 42 far 0 85 0 - 6.1-7.6 HA ALA 41 - QD2 LEU 42 far 0 93 0 - 6.7-7.1 HA LYS 86 - QD2 LEU 42 far 0 95 0 - 6.9-8.5 HA3 GLY 75 - QD2 LEU 42 far 0 99 0 - 7.3-8.7 HB3 SER 50 - QD2 LEU 42 far 0 81 0 - 8.4-11.8 Violated in 20 structures by 0.97 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: HD3 PRO 81 - QD2 LEU 42 poor 13 100 45 30 5.2-9.9 11178/9080=23, 11185/10585=8 HA ILE 37 - QD2 LEU 42 far 9 92 10 - 5.7-7.7 HA GLU 44 - QD2 LEU 42 far 0 99 0 - 6.7-7.9 HB2 SER 74 - QD2 LEU 42 far 0 83 0 - 7.8-9.3 HB3 SER 74 - QD2 LEU 42 far 0 73 0 - 7.9-8.8 HA ARG 135 - QD2 LEU 42 far 0 87 0 - 9.0-10.0 HA ALA 92 - QD2 LEU 42 far 0 85 0 - 9.3-10.2 Violated in 16 structures by 0.26 A. Peak 10878 from aliabs.peaks (4.27, 0.56, 24.08 ppm; 5.24 A): 0 out of 2 assignments used, quality = 0.00: HA SER 74 - QD2 LEU 42 far 0 89 0 - 6.8-8.9 HA LYS 36 - QD2 LEU 42 far 0 95 0 - 8.5-11.4 Violated in 20 structures by 2.12 A. Peak 10879 from aliabs.peaks (4.53, 0.56, 24.08 ppm; 6.59 A): 2 out of 3 assignments used, quality = 0.98: HA TYR 72 + QD2 LEU 42 OK 96 96 100 100 5.8-6.6 3.0/9095=98...(28) HA SER 38 + QD2 LEU 42 OK 61 95 100 65 5.6-6.9 9115/2.1=25, ~6425=24...(4) HA ASP 35 - QD2 LEU 42 far 0 73 0 - 9.6-12.2 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 4 assignments used, quality = 0.89: HA TYR 76 + QD1 LEU 42 OK 89 89 100 100 4.3-4.9 9615=82, 3.0/9092=77...(18) HA SER 74 - QD1 LEU 42 far 0 100 0 - 5.7-7.3 HA LYS 36 - QD1 LEU 42 far 0 99 0 - 6.6-9.9 HA ASP 131 - QD1 LEU 42 far 0 87 0 - 8.8-10.0 Violated in 4 structures by 0.02 A. Peak 10881 from aliabs.peaks (2.09, 3.78, 57.62 ppm; 5.25 A): 2 out of 4 assignments used, quality = 0.73: HB3 GLU 44 + HA LEU 43 OK 61 89 70 98 5.5-6.6 6527/3.6=79, ~9140=46...(12) HG3 GLN 134 + HA LEU 43 OK 32 95 35 96 5.3-8.8 11685/3.9=68...(8) HB3 LYS 39 - HA LEU 43 far 0 97 0 - 7.2-8.7 HB VAL 126 - HA LEU 43 far 0 85 0 - 8.0-9.6 Violated in 16 structures by 0.15 A. Peak 10882 from aliabs.peaks (1.20, 3.78, 57.62 ppm; 4.40 A): 0 out of 4 assignments used, quality = 0.00: QB ALA 41 - HA LEU 43 far 0 78 0 - 6.6-6.9 QG2 THR 65 - HA LEU 43 far 0 63 0 - 7.4-9.0 HG12 ILE 80 - HA LEU 43 far 0 95 0 - 9.3-11.5 QG2 THR 25 - HA LEU 43 far 0 81 0 - 9.9-29.4 Violated in 20 structures by 1.96 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 2.7-4.3 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 = 0.97: QG2 VAL 133 + HA LEU 43 OK 86 87 100 99 3.9-4.9 11072/1345=64...(11) QD1 LEU 69 + HA LEU 43 OK 79 90 95 92 3.8-5.5 11063/1348=57...(8) Violated in 0 structures by 0.00 A. Peak 10885 from aliabs.peaks (8.50, 2.48, 34.64 ppm; 5.30 A): 0 out of 3 assignments used, quality = 0.00: H ALA 46 - HG3 GLU 44 poor 19 63 30 - 6.1-7.0 H LEU 100 - HG3 GLN 104 far 0 63 0 - 6.3-8.1 H GLU 97 - HG3 GLN 104 far 0 75 0 - 9.6-11.8 Violated in 20 structures by 0.62 A. Peak 10886 from aliabs.peaks (1.71, 4.11, 62.25 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 48 + HA CYS 45 OK 100 100 100 100 3.7-5.5 3.0/1438=75, 3.0/1437=74...(11) HB2 LEU 43 - HA CYS 45 far 0 99 0 - 7.4-7.7 HB3 LEU 70 - HA CYS 45 far 0 100 0 - 9.7-12.9 Violated in 6 structures by 0.09 A. Peak 10887 from aliabs.peaks (0.90, 2.93, 26.00 ppm; 4.73 A): 2 out of 5 assignments used, quality = 0.79: QD1 LEU 48 + HB2 CYS 45 OK 63 97 65 100 4.2-6.1 10888/1.8=48...(24) QD1 LEU 49 + HB2 CYS 45 OK 44 93 65 72 3.9-7.5 10888/1.8=28...(9) QD2 LEU 48 - HB2 CYS 45 far 0 100 0 - 6.6-7.7 QD2 LEU 123 - HB2 CYS 45 far 0 90 0 - 8.5-12.9 QD1 LEU 123 - HB2 CYS 45 far 0 65 0 - 9.6-11.7 Violated in 6 structures by 0.17 A. Peak 10888 from aliabs.peaks (0.90, 3.12, 26.00 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.99: QD1 LEU 48 + HB3 CYS 45 OK 98 99 100 100 3.3-5.4 9164/3.0=51...(25) QD1 LEU 49 + HB3 CYS 45 OK 58 97 70 85 3.0-7.4 10966/10891=36...(10) QD2 LEU 48 - HB3 CYS 45 far 10 99 10 - 5.5-7.2 QD2 LEU 123 - HB3 CYS 45 far 0 85 0 - 7.9-12.4 QD1 LEU 123 - HB3 CYS 45 far 0 73 0 - 9.5-12.2 Violated in 1 structures by 0.01 A. Peak 10889 from aliabs.peaks (1.20, 2.93, 26.00 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.89: QB ALA 41 + HB2 CYS 45 OK 72 78 100 92 4.2-6.1 9526/9143=56...(5) QG2 THR 65 + HB2 CYS 45 OK 61 63 100 98 3.8-5.7 11047/11062=73...(7) QG2 THR 25 - HB2 CYS 45 far 0 81 0 - 7.1-27.0 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 3.9-4.3 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 2.5-5.6 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 4.5-5.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 10893 from aliabs.peaks (1.70, 3.12, 26.00 ppm; 5.35 A): 0 out of 4 assignments used, quality = 0.00: HG LEU 48 - HB3 CYS 45 poor 17 87 20 - 5.7-7.9 HB3 LEU 70 - HB3 CYS 45 far 0 85 0 - 7.2-10.4 HB2 LEU 43 - HB3 CYS 45 far 0 99 0 - 7.4-8.8 HB2 LEU 70 - HB3 CYS 45 far 0 97 0 - 8.0-10.6 Violated in 20 structures by 0.85 A. Peak 10894 from aliabs.peaks (1.92, 3.12, 26.00 ppm; 6.03 A): 1 out of 4 assignments used, quality = 0.70: HB3 LEU 48 + HB3 CYS 45 OK 70 78 90 100 4.3-7.7 ~1437=76, 1438/3.0=73...(27) HB3 LEU 49 - HB3 CYS 45 far 15 100 15 - 4.5-8.9 HB2 GLU 40 - HB3 CYS 45 far 0 89 0 - 9.0-11.9 HG LEU 53 - HB3 CYS 45 far 0 83 0 - 9.6-14.3 Violated in 3 structures by 0.17 A. Peak 10895 from aliabs.peaks (3.88, 3.12, 26.00 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.96: HA ALA 46 + HB3 CYS 45 OK 96 96 100 100 4.1-5.6 ~6555=90, ~9192=76...(10) HA LEU 70 - HB3 CYS 45 far 10 100 10 - 7.3-9.1 HB3 SER 50 - HB3 CYS 45 far 0 100 0 - 8.3-11.0 HA LEU 123 - HB3 CYS 45 far 0 60 0 - 9.6-12.4 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 4.6-5.7 9547/3.0=98, 9142/2.8=94...(12) HE21 GLN 68 + HA CYS 45 OK 56 95 95 63 3.4-7.5 9146/3.0=22, ~6541=22...(5) HE21 GLN 127 - HA CYS 45 far 0 85 0 - 8.2-14.1 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 4.8-6.5 9143/3.0=91, ~9547=75...(17) Violated in 1 structures by 0.01 A. Peak 10898 from aliabs.peaks (0.77, 3.89, 55.30 ppm; 4.39 A): 1 out of 8 assignments used, quality = 0.67: QD2 LEU 49 + HA ALA 46 OK 67 68 100 99 2.0-5.1 3.2/10899=57...(21) QD2 LEU 96 - HA ALA 46 far 12 78 15 - 4.9-6.3 QD1 LEU 53 - HA ALA 46 far 12 78 15 - 5.0-9.7 QD1 LEU 96 - HA ALA 46 far 5 100 5 - 4.9-6.4 QD2 LEU 122 - HA ALA 46 far 0 92 0 - 5.5-9.5 QD2 LEU 43 - HA ALA 46 far 0 65 0 - 5.7-6.2 HG12 ILE 129 - HA ALA 46 far 0 71 0 - 5.8-9.2 QG1 VAL 93 - HA ALA 46 far 0 81 0 - 8.1-9.4 Violated in 6 structures by 0.06 A. Peak 10899 from aliabs.peaks (1.48, 3.89, 55.30 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.85: HB2 LEU 49 + HA ALA 46 OK 85 90 95 99 2.3-5.6 3.2/10898=66...(18) HG LEU 42 - HA ALA 46 far 5 99 5 - 5.3-6.8 QB ALA 52 - HA ALA 46 far 0 100 0 - 7.2-8.2 Violated in 5 structures by 0.13 A. Peak 10900 from aliabs.peaks (0.84, 1.34, 16.76 ppm; 3.07 A): 2 out of 8 assignments used, quality = 0.77: QD2 LEU 69 + QB ALA 46 OK 60 68 90 97 1.9-4.0 2.1/11046=51, 11045=35...(21) QG2 ILE 129 + QB ALA 46 OK 43 90 55 86 3.4-4.2 11245=49, 10486/9177=31...(10) QG1 VAL 133 - QB ALA 46 far 0 100 0 - 4.1-6.3 QD2 LEU 70 - QB ALA 46 far 0 89 0 - 6.1-8.0 QD1 LEU 70 - QB ALA 46 far 0 63 0 - 7.1-8.8 QG2 ILE 80 - QB ALA 46 far 0 71 0 - 9.3-10.8 HG13 ILE 80 - QB ALA 46 far 0 63 0 - 9.5-11.1 QG2 ILE 32 - QB ALA 46 far 0 100 0 - 9.7-14.9 Violated in 7 structures by 0.09 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 3.7-3.9 2.9/6568=74...(11) HA LEU 69 + QB ALA 46 OK 61 95 65 99 4.7-5.7 2208/11063=58...(14) HA ASP 131 - QB ALA 46 far 0 65 0 - 6.3-7.4 HA CYS 125 - QB ALA 46 far 0 81 0 - 7.5-8.2 HA GLN 134 - QB ALA 46 far 0 87 0 - 7.9-9.5 HA TYR 76 - QB ALA 46 far 0 63 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10902 from aliabs.peaks (4.32, 3.89, 55.30 ppm; 6.16 A): 2 out of 3 assignments used, quality = 0.98: HA ASP 47 + HA ALA 46 OK 93 93 100 100 4.7-4.8 ~6568=84, ~1462=83...(13) HA LEU 69 + HA ALA 46 OK 71 71 100 100 5.0-6.3 3.9/11054=95, ~9183=73...(11) HA ASP 131 - HA ALA 46 far 0 92 0 - 9.8-11.1 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 4.1-4.9 6568/6571=96...(9) Violated in 0 structures by 0.00 A. Peak 10904 from aliabs.peaks (0.92, 2.83, 39.77 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.24: QD1 LEU 48 + HB3 ASP 47 OK 24 96 30 85 4.6-6.6 4.8/6582=63, ~10956=43...(4) QD1 LEU 49 - HB3 ASP 47 poor 17 98 45 38 5.4-8.3 9180/6571=18...(3) QD2 LEU 48 - HB3 ASP 47 far 0 68 0 - 6.0-6.9 QD1 LEU 123 - HB3 ASP 47 far 0 100 0 - 7.5-9.6 Violated in 18 structures by 1.04 A. Peak 10905 from aliabs.peaks (2.02, 2.83, 39.77 ppm; 4.80 A): 1 out of 5 assignments used, quality = 0.79: HB2 GLU 44 + HB3 ASP 47 OK 79 100 80 98 4.8-6.3 3.0/1400=82, ~1471=56...(7) HB3 GLU 40 - HB3 ASP 47 far 0 100 0 - 8.0-11.1 HB ILE 129 - HB3 ASP 47 far 0 89 0 - 8.6-10.4 HB2 GLN 127 - HB3 ASP 47 far 0 60 0 - 8.9-10.9 HB2 GLN 134 - HB3 ASP 47 far 0 100 0 - 10.0-12.6 Violated in 19 structures by 0.64 A. Peak 10906 from aliabs.peaks (1.22, 0.90, 23.93 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 65 + QD2 LEU 48 OK 99 100 100 99 1.8-4.2 9441/2.1=56...(21) QG2 THR 65 + QD1 LEU 48 OK 65 66 100 98 1.8-3.2 9441/2.1=56...(20) QG2 THR 54 - QD2 LEU 48 far 0 89 0 - 6.7-7.5 QG2 THR 54 - QD1 LEU 48 far 0 52 0 - 7.3-9.2 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 - 5.1-7.2 HA SER 50 - HB3 LEU 48 far 0 76 0 - 7.2-8.4 HA GLN 68 - HB3 LEU 48 far 0 89 0 - 9.1-12.6 Violated in 20 structures by 1.72 A. Peak 10908 from aliabs.peaks (0.87, 4.13, 54.29 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.98: QG2 VAL 57 + HA ALA 52 OK 97 97 100 100 2.4-3.4 9304=92, 9317/2.1=88...(16) QD2 LEU 48 + HA ALA 52 OK 21 63 55 60 4.4-5.2 9227/2.9=34, 9231/2.1=23...(5) QD2 LEU 123 - HA ALA 52 far 0 92 0 - 5.5-7.7 QD2 LEU 69 - HA ALA 52 far 0 100 0 - 9.2-10.9 QG1 VAL 118 - HA ALA 52 far 0 68 0 - 9.5-12.1 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 1.9-5.4 3.0/9238=74...(11) Violated in 5 structures by 0.11 A. Peak 10910 from aliabs.peaks (3.65, 4.13, 54.29 ppm; 5.64 A): 1 out of 3 assignments used, quality = 0.57: HD2 PRO 56 + HA ALA 52 OK 57 96 60 99 5.7-7.4 4.8/9238=70...(7) HD3 PRO 56 - HA ALA 52 poor 20 100 20 - 6.2-7.7 HD2 PRO 58 - HA ALA 52 far 0 65 0 - 6.7-8.3 Violated in 20 structures by 0.90 A. Peak 10911 from aliabs.peaks (3.65, 1.48, 18.03 ppm; 5.01 A): 1 out of 5 assignments used, quality = 0.48: HD2 PRO 58 + QB ALA 52 OK 48 65 75 98 4.9-7.0 3.9/9312=81, 4.6/9317=74...(5) HA3 GLY 66 - QB ALA 52 far 0 96 0 - 6.4-8.0 HA2 GLY 66 - QB ALA 52 far 0 89 0 - 6.4-7.9 HD2 PRO 56 - QB ALA 52 far 0 96 0 - 6.6-7.9 HD3 PRO 56 - QB ALA 52 far 0 100 0 - 6.7-8.0 Violated in 18 structures by 0.59 A. Peak 10912 from aliabs.peaks (2.43, 3.65, 49.73 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.88: HG2 GLU 55 + HD2 PRO 56 OK 66 78 85 100 4.0-5.6 9283=46, 6694/4.8=43...(30) HG2 GLU 55 + HD3 PRO 56 OK 64 92 70 100 4.2-5.5 6694/4.8=43, 9283=41...(29) HG3 GLN 61 - HD2 PRO 56 far 0 53 0 - 8.9-11.2 HG3 GLN 61 - HD3 PRO 56 far 0 65 0 - 9.3-11.5 Violated in 2 structures by 0.00 A. Peak 10913 from aliabs.peaks (0.87, 3.65, 49.73 ppm; 5.21 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 57 + HD3 PRO 56 OK 94 95 100 99 4.4-5.5 10919/3.6=69...(11) QG2 VAL 57 + HD2 PRO 56 OK 80 81 100 100 4.5-5.6 10919/3.6=69...(12) QD2 LEU 123 - HD3 PRO 56 far 0 96 0 - 8.5-12.1 QD2 LEU 123 - HD2 PRO 56 far 0 82 0 - 8.9-12.1 QD2 LEU 48 - HD3 PRO 56 far 0 71 0 - 9.0-11.4 QD2 LEU 48 - HD2 PRO 56 far 0 57 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10916 from aliabs.peaks (1.38, 4.67, 62.91 ppm; 5.00 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - HA PRO 56 far 0 97 0 - 7.8-13.7 QB ALA 110 - HA PRO 56 far 0 100 0 - 8.3-13.7 QB ALA 108 - HA PRO 56 far 0 100 0 - 9.1-15.2 Violated in 20 structures by 3.54 A. Peak 10917 from aliabs.peaks (0.94, 4.67, 62.91 ppm; 5.15 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 57 + HA PRO 56 OK 100 100 100 100 4.5-4.7 10920=100, 2.1/10919=92...(9) QD1 LEU 62 - HA PRO 56 poor 11 65 65 27 4.8-7.2 1806/10919=26 QG2 VAL 112 - HA PRO 56 far 4 89 5 - 5.9-10.2 QG1 VAL 112 - HA PRO 56 far 4 71 5 - 5.7-9.6 QD1 LEU 119 - HA PRO 56 lone 1 100 75 1 4.4-8.1 QD2 LEU 53 - HA PRO 56 far 0 68 0 - 6.4-7.9 QD1 LEU 49 - HA PRO 56 far 0 63 0 - 9.2-13.0 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 4 assignments used, quality = 0.98: QG2 VAL 57 + HA PRO 56 OK 98 98 100 100 3.4-3.5 10919=96, 2.1/10920=94...(9) QD2 LEU 123 - HA PRO 56 far 0 90 0 - 8.2-11.3 QD2 LEU 48 - HA PRO 56 far 0 60 0 - 9.5-10.9 QG1 VAL 118 - HA PRO 56 far 0 65 0 - 9.9-12.3 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 = 0.98: HA PRO 56 + QG2 VAL 57 OK 98 100 100 98 3.4-3.5 6697/1802=73...(9) Violated in 0 structures by 0.00 A. Peak 10920 from aliabs.peaks (4.67, 0.94, 21.27 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: HA PRO 56 + QG1 VAL 57 OK 99 100 100 99 4.5-4.7 10919/2.1=73...(9) HA HIS 10 - QG1 VAL 105 far 0 64 0 - 6.6-46.1 HA ASN 13 - QG1 VAL 105 far 0 43 0 - 8.6-40.6 HA HIS 8 - QG1 VAL 105 far 0 64 0 - 9.0-51.0 Violated in 20 structures by 0.34 A. Peak 10921 from aliabs.peaks (2.39, 4.59, 58.62 ppm; 5.31 A): 3 out of 3 assignments used, quality = 0.99: HB3 PRO 58 + HA VAL 57 OK 87 87 100 100 4.8-4.9 10929/3.2=62, ~9309=52...(28) HG3 GLN 61 + HA VAL 57 OK 86 90 95 100 4.4-6.3 10936/3.2=75...(28) HG3 GLU 55 + HA VAL 57 OK 22 87 25 99 4.9-8.5 ~9294=63, ~9294=61...(12) 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 3.5-4.3 10032/2.1=99...(10) QD2 LEU 100 - HB VAL 57 far 0 100 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 10923 from aliabs.peaks (0.68, 0.94, 21.27 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.54: QD2 LEU 62 + QG1 VAL 57 OK 54 99 55 99 3.9-4.6 10032/2.1=71...(11) QD2 LEU 100 - QG1 VAL 105 far 0 65 0 - 5.9-7.2 QD2 LEU 100 - QG1 VAL 57 far 0 99 0 - 8.0-9.6 Violated in 20 structures by 0.91 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 = 0.66: QB ALA 110 + HA PRO 58 OK 42 100 50 85 3.9-10.4 10930/2.3=73...(6) QB ALA 109 + HA PRO 58 OK 41 99 60 69 4.8-9.9 9349/6709=56, 11794=17...(5) QB ALA 108 - HA PRO 58 far 5 100 5 - 4.4-10.4 Violated in 8 structures by 0.43 A. Peak 10926 from aliabs.peaks (0.93, 4.45, 62.57 ppm; 4.69 A): 1 out of 6 assignments used, quality = 0.97: QG1 VAL 57 + HA PRO 58 OK 97 97 100 100 5.2-5.4 9309/3.6=74, 9308/3.6=73...(9) QD1 LEU 119 - HA PRO 58 poor 20 99 20 - 5.2-7.7 QD1 LEU 62 - HA PRO 58 poor 12 85 40 36 4.1-6.3 9385/3.6=30, 3795/10927=9 QG2 VAL 112 - HA PRO 58 poor 9 98 35 27 4.6-9.1 11496/10925=17, 11540/10925=11 QG2 VAL 63 - HA PRO 58 far 0 78 0 - 6.6-7.4 QD1 LEU 49 - HA PRO 58 far 0 83 0 - 9.7-13.0 Violated in 20 structures by 0.57 A. Peak 10927 from aliabs.peaks (0.81, 4.45, 62.57 ppm; 5.94 A): 1 out of 6 assignments used, quality = 0.26: QD2 LEU 119 + HA PRO 58 OK 26 78 90 37 5.0-10.0 9327/2.3=32...(3) QG1 VAL 63 - HA PRO 58 far 0 60 0 - 8.8-9.6 QD1 LEU 53 - HA PRO 58 far 0 87 0 - 8.8-12.7 QD2 LEU 122 - HA PRO 58 far 0 71 0 - 9.0-12.6 QD1 LEU 122 - HA PRO 58 far 0 100 0 - 9.1-11.9 QD2 LEU 49 - HA PRO 58 far 0 93 0 - 9.2-12.3 Violated in 10 structures by 0.43 A. Peak 10929 from aliabs.peaks (0.95, 2.41, 32.16 ppm; 4.60 A): 1 out of 5 assignments used, quality = 0.98: QG1 VAL 57 + HB3 PRO 58 OK 98 98 100 100 5.2-5.5 9309/3.0=82, 9308/3.0=81...(27) QG2 VAL 112 - HB3 PRO 58 far 0 63 0 - 5.6-10.6 QG1 VAL 112 - HB3 PRO 58 far 0 93 0 - 6.8-10.8 QD1 LEU 119 - HB3 PRO 58 far 0 95 0 - 7.1-9.6 QD2 LEU 53 - HB3 PRO 58 far 0 92 0 - 9.4-13.6 Violated in 20 structures by 0.70 A. Peak 10930 from aliabs.peaks (1.38, 2.41, 32.16 ppm; 5.45 A): 1 out of 4 assignments used, quality = 0.35: QB ALA 110 + HB3 PRO 58 OK 35 100 65 54 3.2-11.7 10925/2.3=40...(3) QB ALA 108 - HB3 PRO 58 far 5 100 5 - 5.3-11.8 QB ALA 109 - HB3 PRO 58 far 5 99 5 - 5.9-10.9 HG2 LYS 24 - HB3 PRO 58 far 0 100 0 - 8.1-46.2 Violated in 12 structures by 1.37 A. Peak 10931 from aliabs.peaks (2.03, 2.87, 38.13 ppm; 6.58 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 58 + HB3 ASN 59 OK 95 99 100 96 6.2-7.2 6712/6718=91...(3) HB VAL 63 + HB3 ASN 59 OK 90 95 95 100 5.3-8.0 ~10967=92, 2.1/10968=74...(10) HB2 LEU 62 + HB3 ASN 59 OK 76 76 100 100 4.6-6.9 ~9360=80, ~10947=75...(31) HG3 PRO 58 - HB3 ASN 59 poor 17 60 65 42 7.0-8.4 6713/6718=29, 2.3/2985=17 HG3 PRO 113 - HB3 ASN 59 far 4 76 5 - 7.1-14.2 QE MET 11 - HB3 ASN 59 far 0 99 0 - 9.0-43.4 HG2 PRO 117 - HB3 ASN 59 far 0 89 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 10932 from aliabs.peaks (2.04, 2.61, 38.13 ppm; 5.19 A): 2 out of 8 assignments used, quality = 0.95: HB2 LEU 62 + HB2 ASN 59 OK 92 92 100 100 4.3-5.8 1880/3.0=77...(31) HB VAL 63 + HB2 ASN 59 OK 40 81 50 100 4.6-8.2 2.1/10967=91, ~10968=63...(10) HB VAL 118 - HB2 ASN 59 far 4 76 5 - 5.7-9.5 HG2 PRO 58 - HB2 ASN 59 far 0 90 0 - 6.4-7.5 HG3 PRO 58 - HB2 ASN 59 far 0 81 0 - 7.2-8.6 HG3 PRO 113 - HB2 ASN 59 far 0 92 0 - 8.5-14.4 QE MET 11 - HB2 ASN 59 far 0 92 0 - 8.5-43.0 HG2 PRO 117 - HB2 ASN 59 far 0 98 0 - 9.1-13.1 Violated in 6 structures by 0.05 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 1.8-6.2 2.1/11833=97, ~11834=81...(21) Violated in 1 structures by 0.03 A. Peak 10934 from aliabs.peaks (3.63, 2.28, 33.67 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.78: HD2 PRO 58 + HG2 GLN 61 OK 78 92 85 100 2.9-6.8 10935/1.8=81...(17) HA3 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.4-10.6 HD2 PRO 56 - HG2 GLN 61 far 0 73 0 - 8.5-12.6 HA2 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.6-11.1 HD3 PRO 56 - HG2 GLN 61 far 0 95 0 - 9.6-13.0 Violated in 5 structures by 0.24 A. Peak 10935 from aliabs.peaks (3.63, 2.41, 33.67 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.89: HD2 PRO 58 + HG3 GLN 61 OK 89 99 90 100 3.0-6.3 10934/1.8=74...(16) HA3 GLY 66 - HG3 GLN 61 far 0 99 0 - 8.1-10.6 HA2 GLY 66 - HG3 GLN 61 far 0 100 0 - 8.3-11.1 HD3 PRO 56 - HG3 GLN 61 far 0 81 0 - 9.3-11.5 Violated in 3 structures by 0.14 A. Peak 10936 from aliabs.peaks (0.87, 2.41, 33.67 ppm; 3.88 A): 1 out of 6 assignments used, quality = 0.97: QG2 VAL 57 + HG3 GLN 61 OK 97 97 100 100 2.7-4.6 2.1/10937=70...(30) QD2 LEU 48 - HG3 GLN 61 poor 20 65 30 - 4.0-6.9 QD2 LEU 123 - HG3 GLN 61 far 0 93 0 - 7.7-12.2 QD2 LEU 69 - HG3 GLN 61 far 0 100 0 - 7.8-11.3 QG1 VAL 118 - HG3 GLN 61 far 0 71 0 - 8.8-11.3 QD1 LEU 22 - HG3 GLN 61 far 0 85 0 - 9.6-38.8 Violated in 6 structures by 0.09 A. Peak 10937 from aliabs.peaks (0.95, 2.41, 33.67 ppm; 3.89 A): 1 out of 6 assignments used, quality = 0.97: QG1 VAL 57 + HG3 GLN 61 OK 97 97 100 100 2.3-3.6 9377/1.8=74...(33) QD2 LEU 53 - HG3 GLN 61 far 0 95 0 - 4.9-10.6 QD1 LEU 119 - HG3 GLN 61 far 0 92 0 - 6.9-10.2 QG2 VAL 126 - HG3 GLN 61 far 0 98 0 - 9.0-12.1 QG1 VAL 126 - HG3 GLN 61 far 0 100 0 - 9.2-12.6 QD1 LEU 123 - HG3 GLN 61 far 0 63 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 10938 from aliabs.peaks (0.87, 2.28, 33.67 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.60: QG2 VAL 57 + HG2 GLN 61 OK 60 92 65 100 3.0-5.5 10936/1.8=78...(26) QD2 LEU 48 - HG2 GLN 61 poor 7 76 40 23 4.2-6.6 10957/11024=21, 10056/1.8=3 QD2 LEU 69 - HG2 GLN 61 far 0 99 0 - 8.0-11.7 QD2 LEU 123 - HG2 GLN 61 far 0 97 0 - 8.6-12.5 QD1 LEU 22 - HG2 GLN 61 far 0 92 0 - 9.5-39.5 Violated in 14 structures by 0.72 A. Peak 10939 from aliabs.peaks (0.80, 3.83, 57.95 ppm; 3.63 A): 4 out of 19 assignments used, quality = 0.84: QD2 LEU 49 + HA LEU 62 OK 44 100 60 74 2.4-5.5 9431/10993=37...(10) QD1 LEU 53 + HA LEU 123 OK 42 58 80 91 1.8-5.3 11422/3.9=45...(15) QD2 LEU 49 + HA LEU 123 OK 32 59 75 73 2.8-5.8 11613/10393=36...(18) QD1 LEU 122 + HA LEU 123 OK 28 55 55 91 2.2-6.1 3899/2.9=45, 3893/4.9=19...(23) QD1 LEU 53 - HA LEU 62 far 15 100 15 - 3.7-8.7 QD1 LEU 122 - HA LEU 62 far 15 98 15 - 4.1-6.1 QD2 LEU 122 - HA LEU 123 poor 13 53 25 - 2.1-6.0 QD2 LEU 122 - HA LEU 62 far 5 97 5 - 4.5-7.5 QD1 LEU 96 - HA LEU 123 far 2 36 5 - 4.4-6.4 QD2 LEU 119 - HA LEU 62 far 0 99 0 - 4.7-8.4 QD1 LEU 103 - HA LEU 62 far 0 90 0 - 5.2-6.8 QG1 VAL 63 - HA LEU 62 far 0 92 0 - 6.0-6.1 QD1 LEU 96 - HA LEU 62 far 0 73 0 - 6.5-8.4 QD2 LEU 119 - HA LEU 123 far 0 56 0 - 6.7-8.3 QD1 LEU 103 - HA LEU 123 far 0 48 0 - 6.7-9.8 QG2 ILE 129 - HA LEU 123 far 0 32 0 - 8.5-9.8 QD1 LEU 70 - HA LEU 62 far 0 92 0 - 8.6-12.0 QD1 LEU 70 - HA LEU 123 far 0 49 0 - 9.5-12.3 QG1 VAL 63 - HA LEU 123 far 0 49 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10940 from aliabs.peaks (0.77, 1.14, 42.10 ppm; 4.52 A): 5 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HB3 LEU 62 OK 99 99 100 100 3.2-4.9 2.1/11823=91...(13) QD2 LEU 119 + HB3 LEU 62 OK 83 92 90 100 2.7-6.7 10992/3.0=78, ~10951=40...(31) QD1 LEU 53 + HB3 LEU 62 OK 53 85 65 95 3.0-9.6 ~10338=50, ~10338=46...(10) QD2 LEU 49 + HB3 LEU 62 OK 45 76 80 75 3.1-7.5 10994/3.0=41, ~10950=16...(11) QD2 LEU 122 + HB3 LEU 62 OK 30 96 60 53 3.1-7.9 9395/1.8=11, ~11951=11...(10) QG1 VAL 63 - HB3 LEU 62 far 0 99 0 - 5.6-6.2 QD1 LEU 96 - HB3 LEU 62 far 0 100 0 - 5.7-9.2 QD2 LEU 96 - HB3 LEU 62 far 0 71 0 - 7.8-11.5 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 1.8-3.2 9232=95, 9317/9319=47...(18) HB2 LEU 49 - QD2 LEU 62 poor 18 89 20 - 2.9-6.8 HB2 LEU 49 - QD2 LEU 100 far 0 68 0 - 5.6-8.8 QB ALA 52 - QD2 LEU 100 far 0 83 0 - 5.9-7.8 Violated in 2 structures by 0.01 A. Peak 10942 from aliabs.peaks (1.36, 0.68, 23.19 ppm; 4.56 A): 1 out of 17 assignments used, quality = 0.78: HB3 LEU 100 + QD2 LEU 100 OK 78 78 100 100 2.3-3.2 3.2=100 HB2 LEU 96 - QD2 LEU 100 far 0 68 0 - 5.7-8.2 QB ALA 108 - QD2 LEU 100 far 0 69 0 - 6.5-10.9 QB ALA 109 - QD2 LEU 100 far 0 54 0 - 7.1-10.5 QB ALA 109 - QD2 LEU 62 far 0 73 0 - 7.2-11.0 HB3 LEU 100 - QD2 LEU 62 far 0 97 0 - 7.5-9.3 QB ALA 46 - QD2 LEU 62 far 0 73 0 - 7.6-8.7 QB ALA 108 - QD2 LEU 62 far 0 90 0 - 7.7-12.0 QB ALA 46 - QD2 LEU 100 far 0 54 0 - 7.7-9.6 QB ALA 110 - QD2 LEU 62 far 0 85 0 - 7.8-12.3 QB ALA 29 - QD2 LEU 100 far 0 71 0 - 7.9-21.0 QB ALA 110 - QD2 LEU 100 far 0 64 0 - 8.4-12.6 HB2 LEU 96 - QD2 LEU 62 far 0 89 0 - 8.5-11.0 QB ALA 29 - QD2 LEU 62 far 0 92 0 - 8.8-23.3 QB ALA 28 - QD2 LEU 100 far 0 60 0 - 9.5-22.3 QB ALA 12 - QD2 LEU 100 far 0 82 0 - 9.7-33.4 QB ALA 15 - QD2 LEU 100 far 0 66 0 - 9.8-30.4 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 122 + QD2 LEU 100 OK 78 79 100 100 3.8-5.4 ~9487=28, ~3870=26...(37) HB3 LEU 103 + QD2 LEU 100 OK 73 81 95 95 1.9-5.7 10963/10974=35...(21) HB2 LEU 100 + QD2 LEU 100 OK 56 56 100 100 2.1-3.2 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 21 98 40 53 4.3-8.0 4.3/11008=20, ~2012=10...(10) HB2 LEU 48 - QD2 LEU 62 far 8 83 10 - 4.9-9.9 HB3 LEU 103 - QD2 LEU 62 far 5 99 5 - 5.5-8.3 HG LEU 100 - QD2 LEU 62 far 0 68 0 - 5.7-7.6 HB2 LEU 100 - QD2 LEU 62 far 0 76 0 - 6.3-8.9 HB3 LEU 98 - QD2 LEU 100 far 0 69 0 - 7.5-8.9 HB2 LEU 48 - QD2 LEU 100 far 0 62 0 - 7.7-11.9 Violated in 0 structures by 0.00 A. Peak 10944 from aliabs.peaks (1.94, 0.68, 23.19 ppm; 3.85 A): 2 out of 10 assignments used, quality = 0.88: HG LEU 53 + QD2 LEU 62 OK 78 99 80 98 1.8-6.4 2.1/10338=79...(10) HB3 LEU 49 + QD2 LEU 62 OK 46 65 90 78 3.0-6.3 9240/10996=33...(10) HB3 LEU 49 - QD2 LEU 100 far 0 47 0 - 4.9-8.0 HG LEU 53 - QD2 LEU 100 far 0 81 0 - 5.3-11.5 HB2 PRO 58 - QD2 LEU 62 far 0 99 0 - 6.8-7.6 HB2 MET 11 - QD2 LEU 100 far 0 54 0 - 8.2-40.0 HG2 PRO 113 - QD2 LEU 62 far 0 97 0 - 8.3-12.3 HB2 PRO 58 - QD2 LEU 100 far 0 80 0 - 8.4-10.1 HB3 LYS 95 - QD2 LEU 100 far 0 83 0 - 8.9-10.4 HB2 LYS 95 - QD2 LEU 100 far 0 82 0 - 9.5-10.9 Violated in 2 structures by 0.02 A. Peak 10945 from aliabs.peaks (2.25, 0.68, 23.19 ppm; 5.96 A): 2 out of 14 assignments used, quality = 0.67: HB3 GLN 104 + QD2 LEU 100 OK 54 58 100 94 3.0-5.4 ~11445=48...(9) HB3 GLU 97 + QD2 LEU 100 OK 27 50 55 100 6.1-7.2 ~10036=75, ~10001=73...(31) HG2 GLU 97 - QD2 LEU 100 far 12 82 15 - 5.5-8.4 HB2 GLN 68 - QD2 LEU 100 poor 9 47 20 - 6.3-8.6 HB3 GLU 102 - QD2 LEU 100 far 7 68 10 - 6.4-7.9 HB3 LEU 96 - QD2 LEU 100 far 4 82 5 - 6.1-8.5 HB3 PRO 113 - QD2 LEU 62 far 0 63 0 - 7.3-10.9 HB VAL 105 - QD2 LEU 100 far 0 62 0 - 7.8-9.9 HB3 GLN 104 - QD2 LEU 62 far 0 78 0 - 7.9-10.5 HB2 GLN 68 - QD2 LEU 62 far 0 65 0 - 8.0-10.8 HB3 GLN 127 - QD2 LEU 62 far 0 76 0 - 8.5-11.3 HB3 GLU 102 - QD2 LEU 62 far 0 89 0 - 8.8-12.9 HB3 LEU 96 - QD2 LEU 62 far 0 100 0 - 8.9-10.9 HB3 GLN 127 - QD2 LEU 100 far 0 56 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 10946 from aliabs.peaks (2.43, 0.68, 23.19 ppm; 6.41 A): 3 out of 7 assignments used, quality = 0.96: HG2 GLN 101 + QD2 LEU 100 OK 76 80 95 99 4.8-7.5 3305/3264=75, ~10053=70...(10) HG3 GLN 61 + QD2 LEU 62 OK 61 65 100 93 2.6-5.7 10936/9319=49...(6) HG2 GLU 55 + QD2 LEU 62 OK 59 92 70 92 4.8-8.8 10909/9230=77, 9294/10923=64 HG3 GLN 61 - QD2 LEU 100 far 7 47 15 - 6.8-9.5 HB3 PRO 58 - QD2 LEU 62 far 0 71 0 - 7.4-8.2 HG2 MET 11 - QD2 LEU 100 far 0 76 0 - 8.5-40.8 HB3 PRO 58 - QD2 LEU 100 far 0 52 0 - 9.6-11.4 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 = 0.93: HB2 ASN 59 + QD1 LEU 62 OK 93 97 95 100 3.9-6.0 3.0/9388=88...(28) Violated in 7 structures by 0.11 A. Peak 10948 from aliabs.peaks (2.85, 0.91, 26.02 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.77: HB3 ASN 59 + QD1 LEU 62 OK 70 83 85 100 4.6-6.2 3.0/9388=89...(28) HB2 ASN 116 + QD1 LEU 62 OK 22 100 55 40 4.2-7.8 10225/2009=15...(8) Violated in 7 structures by 0.17 A. Peak 10949 from aliabs.peaks (1.49, 3.83, 57.95 ppm; 4.95 A): 3 out of 6 assignments used, quality = 0.99: QB ALA 52 + HA LEU 62 OK 99 99 100 100 3.1-4.3 10996/1998=91...(9) HB2 LEU 49 + HA LEU 123 OK 34 54 85 73 3.5-6.5 3.2/10939=19...(18) HB2 LEU 49 + HA LEU 62 OK 22 97 25 88 3.7-7.3 3.2/10994=61...(7) QB ALA 52 - HA LEU 123 far 3 57 5 - 5.7-7.7 HG LEU 69 - HA LEU 123 far 0 28 0 - 6.8-9.2 HG LEU 69 - HA LEU 62 far 0 60 0 - 8.5-11.3 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 10 assignments used, quality = 0.82: HG LEU 123 + HA LEU 123 OK 58 58 100 100 3.4-3.7 3.7=100 HG LEU 49 + HA LEU 62 OK 56 100 60 94 4.1-7.2 2.1/10994=68...(8) HG LEU 49 - HA LEU 123 poor 20 59 40 84 3.6-7.5 11615/10393=52...(17) HG LEU 103 - HA LEU 62 far 5 96 5 - 5.5-8.3 HB2 LEU 119 - HA LEU 62 far 3 68 5 - 5.5-8.5 HB2 LEU 119 - HA LEU 123 far 0 33 0 - 6.5-7.8 HB2 LEU 103 - HA LEU 62 far 0 99 0 - 7.5-9.5 HG LEU 123 - HA LEU 62 far 0 100 0 - 8.1-11.6 HB2 LEU 103 - HA LEU 123 far 0 57 0 - 8.8-11.7 HG LEU 103 - HA LEU 123 far 0 52 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 10951 from aliabs.peaks (1.53, 2.06, 42.10 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.81: HB2 LEU 119 + HB2 LEU 62 OK 81 90 90 100 4.2-7.3 ~10992=43, ~10954=38...(34) HB2 LEU 53 - HB2 LEU 62 far 0 99 0 - 6.8-10.3 Violated in 17 structures by 0.51 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 4.7-4.8 4.9=100 HA ALA 110 - HA LEU 62 far 0 92 0 - 9.5-16.0 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 3.0-4.6 9388/2.1=100...(22) 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 8 assignments used, quality = 0.89: HA LEU 119 + QD1 LEU 62 OK 89 100 100 89 2.0-4.1 3.7/2009=30, ~10951=30...(14) HA LEU 103 - QD1 LEU 62 far 5 99 5 - 5.3-7.9 HA SER 60 - QD1 LEU 62 far 0 96 0 - 5.6-6.9 HB3 SER 99 - QD1 LEU 62 far 0 73 0 - 5.8-9.6 HA SER 50 - QD1 LEU 62 far 0 71 0 - 6.5-9.0 HA LEU 122 - QD1 LEU 62 far 0 87 0 - 6.7-8.9 HB3 SER 124 - QD1 LEU 62 far 0 98 0 - 8.6-11.9 HA GLU 102 - QD1 LEU 62 far 0 65 0 - 8.7-11.4 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 99 - QD1 LEU 62 far 0 95 0 - 7.5-10.0 HA SER 51 - QD1 LEU 62 far 0 99 0 - 7.9-9.9 HA HIS 67 - QD1 LEU 62 far 0 100 0 - 9.4-10.5 Violated in 20 structures by 2.92 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 49 - HG LEU 62 far 0 98 0 - 7.7-10.2 H LEU 123 - HG LEU 62 far 0 73 0 - 7.9-9.5 H ALA 110 - HG LEU 62 far 0 73 0 - 9.7-13.8 Violated in 20 structures by 2.28 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 2.1-4.5 2.1/9386=97, 10034=56...(27) Violated in 0 structures by 0.00 A. Peak 10959 from aliabs.peaks (2.19, 0.91, 22.96 ppm; 3.74 A): 2 out of 15 assignments used, quality = 0.98: HB2 GLN 104 + QG2 VAL 63 OK 94 99 95 100 2.1-4.7 3.0/11521=59...(26) HB3 GLN 104 + QG2 VAL 63 OK 63 63 100 100 1.8-3.9 3.0/11521=59...(27) HG2 GLN 68 - QD1 LEU 49 poor 10 42 50 49 3.3-9.7 9443/10966=29...(6) HB3 GLN 127 - QD1 LEU 49 far 3 31 10 - 4.0-9.0 HB3 GLN 68 - QD1 LEU 49 far 2 49 5 - 3.4-9.5 HB2 GLN 68 - QD1 LEU 49 far 0 37 0 - 4.8-9.7 HB2 GLN 101 - QG2 VAL 63 far 0 97 0 - 6.1-8.6 HG2 GLN 68 - QG2 VAL 63 far 0 83 0 - 7.7-10.4 HB2 GLN 68 - QG2 VAL 63 far 0 76 0 - 8.1-10.6 HB3 GLU 97 - QG2 VAL 63 far 0 73 0 - 8.3-10.4 HB3 GLN 68 - QG2 VAL 63 far 0 92 0 - 8.4-10.5 HB3 GLN 104 - QD1 LEU 49 far 0 30 0 - 9.0-12.6 HB3 GLU 97 - QD1 LEU 49 far 0 36 0 - 9.1-11.4 HB2 GLN 104 - QD1 LEU 49 far 0 56 0 - 9.5-13.4 HB VAL 133 - QD1 LEU 49 far 0 57 0 - 9.8-14.4 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 5 assignments used, quality = 0.99: HG2 GLN 104 + QG2 VAL 63 OK 99 99 100 100 3.2-4.7 11440=98, 1.8/11523=79...(27) HG3 GLU 55 - QD1 LEU 49 far 0 58 0 - 7.1-13.4 HG3 GLU 97 - QD1 LEU 49 far 0 30 0 - 8.2-11.6 HG3 GLU 97 - QG2 VAL 63 far 0 63 0 - 9.0-11.7 HG2 GLN 104 - QD1 LEU 49 far 0 56 0 - 9.4-12.9 Violated in 10 structures by 0.18 A. Peak 10961 from aliabs.peaks (2.47, 0.91, 22.96 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.80: HG3 GLN 104 + QG2 VAL 63 OK 80 100 80 100 2.2-5.3 11442=96, 1.8/11521=83...(23) HG3 GLN 127 - QD1 LEU 49 poor 14 56 25 - 2.8-8.0 HG2 GLU 55 - QD1 LEU 49 far 0 36 0 - 6.5-12.6 HG2 MET 11 - QG2 VAL 63 far 0 63 0 - 7.8-41.1 HG3 GLU 44 - QD1 LEU 49 far 0 52 0 - 8.4-11.5 HG3 GLN 104 - QD1 LEU 49 far 0 58 0 - 10.0-12.9 Violated in 14 structures by 0.52 A. Peak 10962 from aliabs.peaks (2.20, 0.78, 21.57 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.99: HB2 GLN 104 + QG1 VAL 63 OK 92 92 100 100 1.8-4.4 3.0/9400=59, 3.0/9401=57...(31) HB3 GLN 104 + QG1 VAL 63 OK 83 83 100 100 1.8-3.7 3.0/9400=59, 3.0/9401=57...(32) HB2 GLN 101 - QG1 VAL 63 far 0 100 0 - 5.1-8.1 HG2 GLN 68 - QG1 VAL 63 far 0 96 0 - 6.0-8.5 HB3 GLN 68 - QG1 VAL 63 far 0 76 0 - 6.5-8.7 HB2 GLN 68 - QG1 VAL 63 far 0 92 0 - 6.5-8.9 HB3 GLU 97 - QG1 VAL 63 far 0 90 0 - 6.7-9.8 HB3 GLU 102 - QG1 VAL 63 far 0 71 0 - 7.9-9.1 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 7 assignments used, quality = 0.91: HB3 LEU 103 + QG1 VAL 63 OK 80 100 80 100 3.3-6.9 1.8/10972=68...(34) HG LEU 100 + QG1 VAL 63 OK 39 78 50 100 4.1-6.3 2.1/10974=89...(18) HB2 LEU 100 + QG1 VAL 63 OK 26 65 40 100 2.9-6.9 1.8/10964=82...(21) HB3 LEU 122 - QG1 VAL 63 far 0 100 0 - 7.1-8.8 HB3 LYS 24 - QG1 VAL 63 far 0 85 0 - 9.1-32.5 HB3 LEU 98 - QG1 VAL 63 far 0 96 0 - 9.3-12.1 HB2 LEU 48 - QG1 VAL 63 far 0 90 0 - 9.6-12.9 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 13 assignments used, quality = 0.35: HB3 LEU 100 + QG1 VAL 63 OK 35 99 35 100 3.2-6.8 3.2/10974=68...(23) QB ALA 108 - QG1 VAL 63 far 0 96 0 - 5.4-9.8 QB ALA 110 - QG1 VAL 63 far 0 92 0 - 5.9-12.0 QB ALA 15 - QG1 VAL 63 far 0 93 0 - 6.8-29.2 QB ALA 29 - QG1 VAL 63 far 0 97 0 - 6.9-19.9 QB ALA 109 - QG1 VAL 63 far 0 83 0 - 7.7-10.1 QB ALA 28 - QG1 VAL 63 far 0 89 0 - 7.8-21.3 QB ALA 16 - QG1 VAL 63 far 0 73 0 - 7.9-29.5 QB ALA 12 - QG1 VAL 63 far 0 99 0 - 8.3-32.1 HB2 LEU 96 - QG1 VAL 63 far 0 95 0 - 9.1-10.8 HG2 LYS 24 - QG1 VAL 63 far 0 98 0 - 9.1-31.8 QB ALA 46 - QG1 VAL 63 far 0 63 0 - 10.0-11.1 QB ALA 21 - QG1 VAL 63 far 0 81 0 - 10.0-29.4 Violated in 19 structures by 1.19 A. Peak 10965 from aliabs.peaks (1.53, 0.78, 21.57 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.54: HG LEU 103 + QG1 VAL 63 OK 54 68 80 100 3.8-5.8 3.0/10972=66, ~11832=47...(21) HG LEU 69 - QG1 VAL 63 far 0 87 0 - 8.2-10.6 HB2 LEU 119 - QG1 VAL 63 far 0 96 0 - 8.8-11.4 Violated in 12 structures by 0.36 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 99 1.8-4.0 9431/2.1=61...(28) QG2 THR 65 - QG2 VAL 63 far 0 89 0 - 6.8-7.2 Violated in 5 structures by 0.06 A. Peak 10967 from aliabs.peaks (2.61, 0.91, 22.96 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.99: HB2 ASN 59 + QG2 VAL 63 OK 99 100 100 99 3.0-5.2 1.8/10968=66, 9354=54...(15) HB2 ASP 71 - QD1 LEU 49 far 0 58 0 - 8.0-12.1 HB2 ASN 59 - QD1 LEU 49 far 0 58 0 - 9.0-12.4 Violated in 5 structures by 0.11 A. Peak 10968 from aliabs.peaks (2.85, 0.91, 22.96 ppm; 4.93 A): 1 out of 6 assignments used, quality = 0.82: HB3 ASN 59 + QG2 VAL 63 OK 82 83 100 100 3.3-5.1 1.8/10967=90, 9357=48...(15) HB3 ASP 47 - QD1 LEU 49 poor 17 42 40 - 5.4-8.3 HB2 ASN 116 - QG2 VAL 63 far 0 100 0 - 7.0-9.2 HB3 ASP 131 - QD1 LEU 49 far 0 56 0 - 8.8-12.3 HB2 ASN 116 - QD1 LEU 49 far 0 58 0 - 9.8-14.7 HB3 ASN 59 - QD1 LEU 49 far 0 42 0 - 9.9-12.9 Violated in 1 structures by 0.01 A. Peak 10969 from aliabs.peaks (2.80, 0.78, 21.57 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 64 + QG1 VAL 63 OK 100 100 100 100 3.2-5.0 10988=96, 3.0/10980=83...(16) HB3 ASP 71 - QG1 VAL 63 far 0 99 0 - 7.8-10.3 Violated in 1 structures by 0.00 A. Peak 10971 from aliabs.peaks (1.39, 0.91, 22.96 ppm; 4.05 A): 0 out of 17 assignments used, quality = 0.00: HB3 LEU 100 - QG2 VAL 63 far 13 89 15 - 4.0-6.7 QB ALA 108 - QG2 VAL 63 far 10 97 10 - 4.5-8.6 QB ALA 110 - QG2 VAL 63 far 5 99 5 - 4.8-10.3 HB2 LEU 96 - QD1 LEU 49 far 0 54 0 - 5.3-8.2 QB ALA 109 - QG2 VAL 63 far 0 100 0 - 6.0-8.3 HG LEU 96 - QD1 LEU 49 far 0 56 0 - 6.1-8.1 HB3 LEU 100 - QD1 LEU 49 far 0 46 0 - 6.5-8.8 QB ALA 15 - QG2 VAL 63 far 0 98 0 - 8.0-31.2 HB2 LEU 42 - QD1 LEU 49 far 0 46 0 - 8.0-11.5 HG LEU 96 - QG2 VAL 63 far 0 99 0 - 8.3-10.5 QB ALA 29 - QD1 LEU 49 far 0 52 0 - 8.4-20.2 QB ALA 29 - QG2 VAL 63 far 0 96 0 - 8.7-21.5 HB2 LEU 96 - QG2 VAL 63 far 0 97 0 - 9.2-10.8 QB ALA 28 - QG2 VAL 63 far 0 99 0 - 9.3-22.9 QB ALA 16 - QG2 VAL 63 far 0 100 0 - 9.5-31.5 HG2 LYS 24 - QG2 VAL 63 far 0 93 0 - 9.6-34.2 HG2 LYS 36 - QD1 LEU 49 far 0 54 0 - 9.8-15.6 Violated in 19 structures by 0.53 A. Peak 10972 from aliabs.peaks (1.61, 0.78, 21.57 ppm; 4.68 A): 1 out of 6 assignments used, quality = 0.36: HB2 LEU 103 + QG1 VAL 63 OK 36 60 60 100 4.8-6.8 3.0/10965=64...(32) HG LEU 122 - QG1 VAL 63 far 0 100 0 - 6.0-9.0 HG LEU 70 - QG1 VAL 63 far 0 100 0 - 6.2-7.9 HB2 LEU 122 - QG1 VAL 63 far 0 100 0 - 7.2-8.8 HG LEU 119 - QG1 VAL 63 far 0 92 0 - 8.3-10.9 HG3 ARG 23 - QG1 VAL 63 far 0 95 0 - 9.7-31.9 Violated in 20 structures by 0.94 A. Peak 10973 from aliabs.peaks (0.61, 0.78, 21.57 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 100 + QG1 VAL 63 OK 92 92 100 100 2.1-4.7 2.1/10974=77...(23) Violated in 9 structures by 0.17 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 1.8-3.5 2.1/10973=59...(28) QD2 LEU 62 - QG1 VAL 63 far 0 99 0 - 6.5-6.8 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: HA3 GLY 66 + HA VAL 63 OK 95 97 100 98 3.1-4.7 2.9/2019=62...(12) HA2 GLY 66 + HA VAL 63 OK 91 100 95 96 4.8-6.2 2.9/2019=62, 3.6/6860=42...(14) HD2 PRO 58 - HA VAL 63 far 0 100 0 - 9.9-11.9 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 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 10977 from aliabs.peaks (4.00, 3.36, 66.55 ppm; 5.05 A): 1 out of 7 assignments used, quality = 0.96: HA SER 60 + HA VAL 63 OK 96 97 100 100 5.0-5.6 10978/3.2=84...(11) HA LEU 103 - HA VAL 63 far 0 90 0 - 6.1-8.9 HA THR 65 - HA VAL 63 far 0 63 0 - 6.3-6.9 HA LEU 119 - HA VAL 63 far 0 65 0 - 6.9-8.6 HB3 SER 99 - HA VAL 63 far 0 100 0 - 7.5-9.8 HA GLN 68 - HA VAL 63 far 0 100 0 - 8.1-9.6 HB3 SER 106 - HA VAL 63 far 0 85 0 - 8.3-12.8 Violated in 18 structures by 0.19 A. Peak 10978 from aliabs.peaks (4.00, 0.78, 21.57 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.95: HA SER 60 + QG1 VAL 63 OK 95 99 100 96 3.5-4.2 2020/2.1=66...(11) HA LEU 103 - QG1 VAL 63 far 0 95 0 - 5.4-7.1 HA GLN 68 - QG1 VAL 63 far 0 100 0 - 6.8-7.8 HB3 SER 106 - QG1 VAL 63 far 0 78 0 - 6.8-10.1 HB3 SER 99 - QG1 VAL 63 far 0 100 0 - 7.3-9.3 HA LEU 119 - QG1 VAL 63 far 0 73 0 - 7.6-9.4 Violated in 15 structures by 0.11 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 2.0-4.7 11433=67, 3416/9400=56...(17) HA GLN 101 + QG1 VAL 63 OK 21 73 35 83 3.6-6.2 11401=27, 3442/9400=25...(11) HB THR 65 - QG1 VAL 63 far 0 87 0 - 6.0-6.8 HA LEU 98 - QG1 VAL 63 far 0 73 0 - 7.8-10.8 HA LEU 96 - QG1 VAL 63 far 0 60 0 - 8.8-10.8 HA LEU 49 - QG1 VAL 63 far 0 71 0 - 8.9-9.9 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 2.9-3.9 9411=93, 2.9/6825=64...(22) HA SER 106 - QG1 VAL 63 far 0 100 0 - 7.7-9.5 HA PRO 58 - QG1 VAL 63 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 10981 from aliabs.peaks (4.46, 0.91, 22.96 ppm; 4.78 A): 1 out of 7 assignments used, quality = 0.99: HA ASP 64 + QG2 VAL 63 OK 99 99 100 100 5.2-5.4 10980/2.1=89...(19) HA SER 106 - QG2 VAL 63 far 0 100 0 - 6.5-9.1 HA PRO 58 - QG2 VAL 63 far 0 100 0 - 6.6-7.4 HA ASP 64 - QD1 LEU 49 far 0 56 0 - 6.9-10.0 HA ASN 121 - QD1 LEU 49 far 0 30 0 - 7.6-11.3 HB THR 54 - QD1 LEU 49 far 0 56 0 - 8.1-12.4 HA PRO 58 - QD1 LEU 49 far 0 58 0 - 9.7-13.0 Violated in 20 structures by 0.55 A. Peak 10982 from aliabs.peaks (7.17, 0.91, 22.96 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.34: HD2 HIS 67 + QG2 VAL 63 OK 34 100 35 97 4.9-7.8 9406/2.1=89...(5) HD2 HIS 67 - QD1 LEU 49 far 0 57 0 - 7.0-11.3 Violated in 20 structures by 1.48 A. Peak 10983 from aliabs.peaks (7.17, 3.36, 66.55 ppm; 6.25 A): 1 out of 1 assignment used, quality = 0.95: HD2 HIS 67 + HA VAL 63 OK 95 100 95 100 4.4-7.2 9406/3.2=92...(9) Violated in 9 structures by 0.22 A. Peak 10984 from aliabs.peaks (8.59, 0.91, 22.96 ppm; 5.05 A): 0 out of 0 assignments used, quality = 0.00: Peak 10985 from aliabs.peaks (7.18, 4.45, 57.70 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.23: HD2 HIS 67 + HA ASP 64 OK 23 93 25 100 5.4-7.7 4.0/2046=76, 4.0/2102=73...(6) Violated in 20 structures by 1.27 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: HB3 GLN 61 - HB3 ASP 64 far 0 100 0 - 5.5-7.0 HB2 GLN 61 - HB3 ASP 64 far 0 100 0 - 5.7-6.5 HB VAL 57 - HB3 ASP 64 far 0 99 0 - 8.5-9.9 Violated in 20 structures by 1.10 A. Peak 10987 from aliabs.peaks (0.91, 2.80, 40.01 ppm; 5.17 A): 1 out of 7 assignments used, quality = 1.00: QG2 VAL 63 + HB3 ASP 64 OK 100 100 100 100 4.8-5.6 6826/3.9=82...(15) QD1 LEU 48 - HB3 ASP 64 far 0 100 0 - 6.5-8.9 QD2 LEU 48 - HB3 ASP 64 far 0 93 0 - 7.0-8.8 QD1 LEU 49 - HB3 ASP 64 far 0 100 0 - 7.5-10.8 QD1 LEU 62 - HB3 ASP 64 far 0 100 0 - 7.6-8.8 QD1 LEU 22 - HB3 ASP 64 far 0 78 0 - 8.8-35.4 QG1 VAL 118 - HB3 ASP 64 far 0 90 0 - 9.8-10.9 Violated in 19 structures by 0.20 A. Peak 10988 from aliabs.peaks (0.79, 2.80, 40.01 ppm; 5.08 A): 1 out of 10 assignments used, quality = 0.99: QG1 VAL 63 + HB3 ASP 64 OK 99 99 100 100 3.2-5.0 10969=98, 10980/3.0=82...(16) QD2 LEU 49 - HB3 ASP 64 far 0 99 0 - 6.9-8.5 QD1 LEU 103 - HB3 ASP 64 far 0 98 0 - 7.2-9.8 QD1 ILE 32 - HB3 ASP 64 far 0 78 0 - 7.5-21.6 QD1 LEU 122 - HB3 ASP 64 far 0 90 0 - 8.0-10.5 QD2 LEU 122 - HB3 ASP 64 far 0 100 0 - 8.2-11.1 QD1 LEU 70 - HB3 ASP 64 far 0 78 0 - 8.5-12.1 QD1 LEU 53 - HB3 ASP 64 far 0 100 0 - 8.7-14.0 QD1 LEU 96 - HB3 ASP 64 far 0 89 0 - 9.2-10.6 QD2 LEU 119 - HB3 ASP 64 far 0 100 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 10989 from aliabs.peaks (1.66, 4.06, 67.71 ppm; 6.24 A): 2 out of 5 assignments used, quality = 0.97: HG LEU 62 + HB THR 65 OK 94 95 100 100 5.1-6.7 3.7/1970=88, ~9432=86...(5) HB2 LEU 69 + HB THR 65 OK 39 99 40 100 5.6-8.8 ~9443=97, 3.0/11055=93...(11) HD2 LYS 26 - HB THR 65 far 0 100 0 - 8.0-39.5 HD3 LYS 26 - HB THR 65 far 0 100 0 - 8.4-38.4 HB2 LEU 123 - HB THR 65 far 0 98 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 10990 from aliabs.peaks (2.29, 1.23, 22.77 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.63: HG3 GLN 68 + QG2 THR 65 OK 63 63 100 100 3.0-4.7 1.8/9443=67...(21) HG2 GLN 61 - QG2 THR 65 lone 6 98 40 16 4.6-7.5 1.8/9289=13, 10938/10957=3 HG2 GLU 44 - QG2 THR 65 far 0 71 0 - 8.3-9.9 Violated in 4 structures by 0.03 A. Peak 10991 from aliabs.peaks (1.77, 1.23, 22.77 ppm; 4.07 A): 1 out of 7 assignments used, quality = 0.99: HB2 LEU 48 + QG2 THR 65 OK 99 99 100 100 1.9-4.8 3.0/9441=62...(20) HG LEU 100 - QG2 THR 65 far 0 100 0 - 5.6-8.0 HB3 LEU 122 - QG2 THR 65 far 0 87 0 - 6.2-9.3 HB2 LYS 26 - QG2 THR 65 far 0 65 0 - 7.5-29.1 HG13 ILE 129 - QG2 THR 65 far 0 63 0 - 7.7-11.0 HB3 LEU 103 - QG2 THR 65 far 0 81 0 - 8.6-11.6 HB2 LYS 24 - QG2 THR 65 far 0 63 0 - 9.6-30.8 Violated in 4 structures by 0.08 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 1.8-4.1 2.1/9431=82...(27) HG LEU 122 - QG2 THR 65 far 0 63 0 - 6.3-8.9 HG LEU 123 - QG2 THR 65 far 0 97 0 - 7.0-10.3 HG LEU 103 - QG2 THR 65 far 0 89 0 - 8.9-10.7 HB2 LEU 103 - QG2 THR 65 far 0 100 0 - 9.1-11.3 Violated in 2 structures by 0.01 A. Peak 10993 from aliabs.peaks (3.84, 1.23, 22.77 ppm; 4.15 A): 1 out of 5 assignments used, quality = 0.96: HA LEU 62 + QG2 THR 65 OK 96 98 100 98 3.7-4.9 1970/2.1=59, 10997=55...(10) HA LEU 123 - QG2 THR 65 far 0 99 0 - 5.8-8.1 HB2 SER 50 - QG2 THR 65 far 0 83 0 - 6.6-8.0 HB2 SER 130 - QG2 THR 65 far 0 71 0 - 7.9-9.9 HD3 PRO 58 - QG2 THR 65 far 0 71 0 - 8.2-11.3 Violated in 12 structures by 0.22 A. Peak 10994 from aliabs.peaks (3.62, 1.23, 22.77 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.99: HA2 GLY 66 + QG2 THR 65 OK 95 96 100 99 3.1-4.7 4.9/2074=62, ~6853=50...(19) HA3 GLY 66 + QG2 THR 65 OK 87 89 100 99 4.2-5.5 4.9/2074=62, ~6853=50...(17) HD2 PRO 58 - QG2 THR 65 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 10995 from aliabs.peaks (8.46, 1.23, 22.77 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.98: H ASP 47 + QG2 THR 65 OK 98 100 100 98 5.1-6.2 6579/9199=67...(11) H LEU 70 - QG2 THR 65 poor 20 100 20 - 5.5-7.3 H LEU 100 - QG2 THR 65 far 0 68 0 - 9.3-10.3 Violated in 17 structures by 0.38 A. Peak 10996 from aliabs.peaks (8.68, 1.23, 22.77 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.85: H SER 50 + QG2 THR 65 OK 85 85 100 100 4.2-5.2 3.2/11703=92...(15) Violated in 0 structures by 0.00 A. Peak 10997 from aliabs.peaks (2.15, 3.63, 47.54 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 69 + HA3 GLY 66 OK 100 100 100 100 3.8-7.2 ~11058=82, 2190=50...(21) HB3 LEU 69 + HA2 GLY 66 OK 98 98 100 100 2.2-5.6 3.2/11058=96...(22) HB3 GLN 68 + HA2 GLY 66 OK 49 60 100 82 4.9-7.1 2066/4.9=43, 3.7/6879=35...(5) HB3 GLN 68 + HA3 GLY 66 OK 41 63 80 82 6.1-7.8 2066/4.9=43, 3.7/6879=35...(5) HB2 GLU 97 - HA3 GLY 66 lone 5 85 35 15 6.5-10.2 11695/9991=9...(3) HB2 GLU 97 - HA2 GLY 66 poor 4 82 25 21 6.5-10.9 11695/9991=17, 11453/11808=2 Violated in 0 structures by 0.00 A. Peak 10998 from aliabs.peaks (3.37, 3.63, 47.54 ppm; 5.49 A): 4 out of 6 assignments used, quality = 1.00: HA VAL 63 + HA3 GLY 66 OK 100 100 100 100 3.1-4.7 2019/2.9=75...(12) HA VAL 63 + HA2 GLY 66 OK 98 98 100 99 4.8-6.2 2019/2.9=75, 6860/3.6=49...(14) HB2 HIS 67 + HA3 GLY 66 OK 59 73 100 80 4.6-6.2 ~11035=43, 6848/2.9=32...(8) HB2 HIS 67 + HA2 GLY 66 OK 53 70 95 79 5.6-6.4 ~11035=43, 6848/2.9=32...(7) HB3 TYR 72 - HA2 GLY 66 far 0 65 0 - 7.7-9.0 HB3 TYR 72 - HA3 GLY 66 far 0 68 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 10999 from aliabs.peaks (2.07, 3.63, 47.54 ppm; 6.06 A): 1 out of 7 assignments used, quality = 0.88: HB2 LEU 62 + HA3 GLY 66 OK 88 95 100 92 5.6-6.9 ~6847=56, 11826/11842=42...(11) HB2 LEU 62 - HA2 GLY 66 far 5 97 5 - 6.9-8.1 HB2 GLN 61 - HA3 GLY 66 far 0 55 0 - 8.5-10.7 HB VAL 118 - HA3 GLY 66 far 0 99 0 - 8.7-10.9 HB2 GLN 61 - HA2 GLY 66 far 0 57 0 - 9.1-11.3 HB VAL 118 - HA2 GLY 66 far 0 100 0 - 9.9-12.0 HB2 GLU 102 - HA3 GLY 66 far 0 91 0 - 9.9-12.1 Violated in 16 structures by 0.29 A. Peak 11000 from aliabs.peaks (1.21, 3.63, 47.54 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 65 + HA2 GLY 66 OK 96 96 100 100 3.1-4.7 2074/4.9=90, ~6853=86...(20) QG2 THR 65 + HA3 GLY 66 OK 93 93 100 100 4.2-5.5 2074/4.9=90, ~6853=86...(17) QG2 THR 54 - HA2 GLY 66 far 0 65 0 - 9.9-12.9 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 11 assignments used, quality = 1.00: HA THR 65 + HA2 GLY 66 OK 100 100 100 100 4.7-4.9 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 4.5-5.9 3258/10024=53...(9) HA LEU 100 - HA2 GLY 66 poor 19 99 25 77 6.0-7.6 3258/9449=42...(8) HB3 SER 99 - HA3 GLY 66 far 0 63 0 - 7.0-9.4 HA SER 50 - HA2 GLY 66 far 0 68 0 - 7.9-10.0 HB3 SER 99 - HA2 GLY 66 far 0 65 0 - 8.3-10.4 HA GLN 127 - HA2 GLY 66 far 0 100 0 - 8.5-10.7 HA SER 50 - HA3 GLY 66 far 0 65 0 - 8.5-10.9 HB3 SER 107 - HA3 GLY 66 far 0 94 0 - 9.3-14.8 HA GLN 127 - HA3 GLY 66 far 0 99 0 - 9.4-12.0 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 8 assignments used, quality = 1.00: HB THR 65 + HA2 GLY 66 OK 100 100 100 100 3.9-4.4 6853/2.9=93...(13) HB THR 65 + HA3 GLY 66 OK 99 99 100 100 4.2-4.7 6853/2.9=93...(15) HA LEU 122 - HA2 GLY 66 poor 15 73 20 - 6.3-8.3 HA LEU 122 - HA3 GLY 66 poor 14 70 20 - 5.7-8.3 HA LEU 96 - HA3 GLY 66 far 0 95 0 - 6.9-8.6 HA LEU 96 - HA2 GLY 66 far 0 97 0 - 7.1-8.7 HA GLN 104 - HA3 GLY 66 far 0 68 0 - 7.7-10.1 HA GLN 104 - HA2 GLY 66 far 0 71 0 - 9.4-11.8 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 1.8-3.8 11037/3.6=54...(24) QD1 LEU 100 + HA2 GLY 66 OK 98 98 100 100 2.4-4.5 11037/3.6=54...(21) Violated in 0 structures by 0.00 A. Peak 11004 from aliabs.peaks (0.90, 3.63, 47.54 ppm; 4.23 A): 4 out of 16 assignments used, quality = 0.99: QD1 LEU 49 + HA2 GLY 66 OK 79 86 95 97 1.9-5.7 2.1/9208=41, 9210=38...(16) QD1 LEU 49 + HA3 GLY 66 OK 69 89 80 97 3.1-6.5 2.1/9208=41, 9210/1.8=37...(15) QD2 LEU 69 + HA2 GLY 66 OK 56 57 100 97 1.8-4.6 2.1/11058=61...(27) QD2 LEU 69 + HA3 GLY 66 OK 49 60 85 96 3.1-6.1 ~11058=45, 9433/2.9=30...(25) QG2 VAL 63 - HA3 GLY 66 poor 18 92 20 - 5.0-6.0 QG1 VAL 118 - HA3 GLY 66 far 0 100 0 - 5.6-7.3 QD1 LEU 48 - HA2 GLY 66 far 0 91 0 - 5.7-8.1 QD1 LEU 62 - HA3 GLY 66 far 0 87 0 - 5.9-7.8 QD2 LEU 123 - HA2 GLY 66 far 0 92 0 - 6.3-10.1 QD2 LEU 48 - HA2 GLY 66 far 0 99 0 - 6.4-8.9 QG2 VAL 63 - HA2 GLY 66 far 0 89 0 - 6.4-7.3 QG1 VAL 118 - HA2 GLY 66 far 0 99 0 - 6.5-8.6 QD2 LEU 123 - HA3 GLY 66 far 0 95 0 - 6.5-10.1 QD1 LEU 62 - HA2 GLY 66 far 0 84 0 - 6.6-8.6 QD1 LEU 48 - HA3 GLY 66 far 0 93 0 - 6.8-9.1 QD2 LEU 48 - HA3 GLY 66 far 0 100 0 - 7.2-9.5 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 89 100 100 4.2-5.2 11034/4.9=63...(17) H LEU 69 + HA2 GLY 66 OK 86 86 100 100 3.0-4.0 4.3/11058=71...(18) H LEU 49 + HA2 GLY 66 OK 56 82 85 81 5.5-7.8 5.0/9208=37, 4.7/9210=34...(8) H VAL 126 - HA2 GLY 66 far 10 99 10 - 6.5-8.0 H VAL 126 - HA3 GLY 66 far 5 100 5 - 6.6-8.8 H LEU 49 - HA3 GLY 66 far 0 85 0 - 6.8-9.2 H LEU 123 - HA3 GLY 66 far 0 93 0 - 7.2-9.1 H LEU 123 - HA2 GLY 66 far 0 91 0 - 7.6-9.1 H SER 99 - HA3 GLY 66 far 0 97 0 - 8.3-9.2 H LEU 96 - HA3 GLY 66 far 0 99 0 - 8.6-10.4 H LEU 96 - HA2 GLY 66 far 0 98 0 - 8.6-10.2 H SER 99 - HA2 GLY 66 far 0 95 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 11009 from aliabs.peaks (8.48, 3.63, 47.54 ppm; 5.60 A): 3 out of 8 assignments used, quality = 1.00: H LEU 70 + HA3 GLY 66 OK 91 92 100 99 4.9-5.7 11100/3.6=67...(12) H LEU 70 + HA2 GLY 66 OK 89 89 100 100 4.0-5.1 11100/3.6=67...(12) H LEU 100 + HA3 GLY 66 OK 60 99 75 82 6.1-6.8 3257/10024=51...(7) H LEU 100 - HA2 GLY 66 far 0 97 0 - 7.0-8.2 H GLU 97 - HA2 GLY 66 far 0 86 0 - 7.2-9.4 H GLU 97 - HA3 GLY 66 far 0 89 0 - 7.3-9.2 H ASP 47 - HA2 GLY 66 far 0 75 0 - 8.0-9.5 H ASP 47 - HA3 GLY 66 far 0 78 0 - 9.6-11.1 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 2.7-2.9 2.9=100 H CYS 73 - HA2 GLY 66 far 0 65 0 - 8.0-9.2 H CYS 73 - HA3 GLY 66 far 0 68 0 - 9.4-10.2 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 4.7-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 11012 from aliabs.peaks (3.87, 4.21, 58.74 ppm; 5.42 A): 1 out of 5 assignments used, quality = 0.86: HA LEU 70 + HA HIS 67 OK 86 96 90 100 4.7-6.5 2.9/6936=88...(12) HA LEU 123 - HA GLU 128 far 0 35 0 - 8.5-9.5 HA ALA 46 - HA HIS 67 far 0 76 0 - 8.7-10.8 HB3 SER 50 - HA GLU 128 far 0 42 0 - 8.9-11.4 HA ALA 46 - HA GLU 128 far 0 29 0 - 9.0-9.9 Violated in 9 structures by 0.24 A. Peak 11013 from aliabs.peaks (2.20, 4.21, 58.74 ppm; 4.98 A): 3 out of 10 assignments used, quality = 0.89: HG2 GLN 68 + HA HIS 67 OK 78 85 95 96 4.9-7.2 2150/3.6=59, 2151/4.9=47...(11) HB2 GLN 68 + HA HIS 67 OK 34 78 45 97 5.5-6.6 4.4/6916=63...(12) HB3 GLN 127 + HA GLU 128 OK 25 25 100 100 4.0-5.0 ~4048=58, 4058/2.9=44...(15) HB3 GLU 97 - HA HIS 67 poor 19 76 25 - 4.9-8.0 HB3 GLN 68 - HA HIS 67 far 5 90 5 - 5.9-6.6 HB3 GLN 104 - HA HIS 67 far 3 65 5 - 5.8-10.3 HB2 GLN 101 - HA HIS 67 far 0 98 0 - 6.7-10.3 HG2 GLU 91 - HA GLU 128 far 0 39 0 - 6.9-9.1 HB2 GLN 104 - HA HIS 67 far 0 99 0 - 6.9-10.4 HB VAL 133 - HA GLU 128 far 0 44 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 11014 from aliabs.peaks (0.69, 4.21, 58.74 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 100 + HA HIS 67 OK 96 96 100 100 3.2-5.6 2.1/10037=86...(13) QD1 LEU 43 - HA GLU 128 far 0 40 0 - 7.7-9.4 QD2 LEU 62 - HA HIS 67 far 0 93 0 - 8.5-9.8 Violated in 3 structures by 0.07 A. Peak 11015 from aliabs.peaks (1.41, 4.00, 58.83 ppm; 5.55 A): 0 out of 6 assignments used, quality = 0.00: HG13 ILE 32 - HA GLN 68 far 4 83 5 - 6.4-18.2 HG2 LYS 36 - HA GLN 68 far 3 63 5 - 6.1-11.7 QB ALA 28 - HA GLN 68 far 0 73 0 - 8.3-19.2 HG LEU 96 - HA GLN 68 far 0 97 0 - 8.7-11.0 QB ALA 34 - HA GLN 68 far 0 99 0 - 9.2-11.8 QB ALA 92 - HA ARG 135 far 0 54 0 - 9.3-11.5 Violated in 20 structures by 2.18 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 3.0-4.7 9443/1.8=69, 10990=45...(23) Violated in 3 structures by 0.02 A. Peak 11017 from aliabs.peaks (1.42, 2.22, 28.25 ppm; 5.06 A): 1 out of 8 assignments used, quality = 0.52: QB ALA 92 + HB3 GLU 128 OK 52 52 100 100 1.9-4.2 10444/1.8=96...(14) HG13 ILE 32 - HB2 GLN 68 far 0 100 0 - 6.7-20.1 HG2 LYS 86 - HB2 GLN 82 far 0 83 0 - 6.7-9.0 HG2 LYS 26 - HB2 GLN 68 far 0 99 0 - 8.6-30.3 HG LEU 96 - HB3 GLU 128 far 0 28 0 - 8.8-11.1 HG LEU 96 - HB2 GLN 68 far 0 65 0 - 9.2-11.9 QB ALA 34 - HB2 GLN 68 far 0 97 0 - 9.5-13.4 HG LEU 96 - HB3 GLU 102 far 0 28 0 - 9.8-13.0 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 1 assignment used, quality = 0.00: HG13 ILE 32 - HG3 GLN 68 far 0 100 0 - 9.1-20.8 Violated in 20 structures by 11.59 A. Peak 11019 from aliabs.peaks (1.13, 2.22, 28.25 ppm; 4.84 A): 1 out of 9 assignments used, quality = 0.48: QG2 VAL 132 + HB3 GLU 128 OK 48 48 100 100 3.2-5.1 11627/3.0=86...(13) QG1 VAL 132 - HB2 GLN 82 far 13 89 15 - 5.6-7.1 QG1 VAL 132 - HB3 GLU 128 far 5 52 10 - 5.6-7.7 HG12 ILE 32 - HB2 GLN 68 far 0 73 0 - 5.9-19.4 QG2 THR 115 - HB3 GLU 102 far 0 53 0 - 7.9-12.1 QG2 VAL 132 - HB2 GLN 82 far 0 84 0 - 8.0-9.6 HB3 LEU 62 - HB3 GLU 102 far 0 46 0 - 9.0-12.5 HB3 LEU 62 - HB2 GLN 68 far 0 95 0 - 9.3-13.1 HG2 LYS 39 - HB2 GLN 82 far 0 88 0 - 9.4-14.4 Violated in 2 structures by 0.02 A. Peak 11020 from aliabs.peaks (1.00, 2.22, 28.25 ppm; 5.51 A): 3 out of 4 assignments used, quality = 0.93: QD1 LEU 69 + HB2 GLN 68 OK 73 97 75 100 2.9-6.9 2.1/11021=89...(20) QG2 VAL 118 + HB3 GLU 102 OK 52 52 100 100 2.1-4.8 11545=99, 2.1/11606=99...(22) QG2 VAL 105 + HB3 GLU 102 OK 49 49 100 100 3.4-4.5 11508/3.0=96...(18) QD1 LEU 69 - HB3 GLU 128 far 0 48 0 - 6.7-10.8 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 12 assignments used, quality = 0.84: QD2 LEU 69 + HB2 GLN 68 OK 84 99 85 99 4.0-6.9 4.9/2139=55, ~11022=38...(20) QG2 ILE 32 - HB2 GLN 68 far 12 81 15 - 4.4-14.6 QD1 LEU 98 - HB3 GLU 102 poor 11 53 20 - 4.6-9.0 QD2 LEU 70 - HB2 GLN 68 far 0 100 0 - 6.1-8.0 QG1 VAL 133 - HB2 GLN 82 far 0 66 0 - 6.7-10.5 QD2 LEU 98 - HB3 GLU 102 far 0 35 0 - 6.8-9.2 QD2 LEU 123 - HB3 GLU 128 far 0 35 0 - 7.4-11.0 QG1 VAL 133 - HB3 GLU 128 far 0 36 0 - 7.5-10.4 QD2 LEU 69 - HB3 GLU 128 far 0 51 0 - 8.4-10.7 QD2 LEU 70 - HB3 GLU 102 far 0 53 0 - 8.9-11.0 QD2 LEU 70 - HB3 GLU 128 far 0 52 0 - 9.1-11.7 QG1 VAL 133 - HB2 GLN 68 far 0 81 0 - 9.9-13.4 Violated in 8 structures by 0.31 A. Peak 11022 from aliabs.peaks (1.66, 2.32, 33.81 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.95: HB2 LEU 69 + HG3 GLN 68 OK 95 96 100 100 4.0-5.1 3.7/6922=60...(28) HD3 LYS 36 - HG3 GLN 68 far 0 100 0 - 7.0-12.7 HD2 LYS 36 - HG3 GLN 68 far 0 100 0 - 7.5-12.4 HD3 LYS 26 - HG3 GLN 68 far 0 100 0 - 8.2-33.1 HD2 LYS 26 - HG3 GLN 68 far 0 100 0 - 8.4-34.0 HG LEU 43 - HG3 GLN 68 far 0 85 0 - 9.8-13.3 Violated in 11 structures by 0.08 A. Peak 11023 from aliabs.peaks (1.67, 2.21, 33.81 ppm; 5.75 A): 1 out of 5 assignments used, quality = 0.76: HB2 LEU 69 + HG2 GLN 68 OK 76 76 100 100 3.5-5.9 11022/1.8=90...(32) HD2 LYS 26 - HG2 GLN 68 far 0 93 0 - 7.5-34.6 HD3 LYS 26 - HG2 GLN 68 far 0 97 0 - 7.7-33.6 HD2 LYS 36 - HG2 GLN 68 far 0 97 0 - 8.4-12.8 HD3 LYS 36 - HG2 GLN 68 far 0 96 0 - 8.4-12.3 Violated in 5 structures by 0.03 A. Peak 11024 from aliabs.peaks (2.81, 2.21, 33.81 ppm; 5.02 A): 0 out of 3 assignments used, quality = 0.00: HB3 ASP 71 - HG2 GLN 68 far 5 100 5 - 5.9-7.9 HB3 ASP 64 - HG2 GLN 68 far 0 100 0 - 6.3-9.1 HB3 ASP 47 - HG2 GLN 68 far 0 63 0 - 9.4-12.0 Violated in 20 structures by 1.03 A. Peak 11025 from aliabs.peaks (2.82, 2.32, 33.81 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.26: HB3 ASP 71 + HG3 GLN 68 OK 26 90 30 96 5.5-7.7 2129/2123=64...(10) HB3 ASP 64 - HG3 GLN 68 far 0 81 0 - 6.7-10.2 HB3 ASP 47 - HG3 GLN 68 far 0 97 0 - 8.8-10.4 Violated in 20 structures by 1.77 A. Peak 11026 from aliabs.peaks (2.81, 2.22, 28.25 ppm; 5.33 A): 2 out of 6 assignments used, quality = 0.95: HB3 ASN 85 + HB2 GLN 82 OK 87 87 100 100 3.5-5.9 3.5/9797=77...(16) HB3 ASP 71 + HB2 GLN 68 OK 65 100 65 100 4.3-7.3 2129/3.0=91...(16) HB3 ASP 64 - HB2 GLN 68 far 5 97 5 - 5.9-9.1 HB2 ASN 121 - HB3 GLU 102 far 2 45 5 - 6.2-10.3 HB3 ASN 85 - HB3 GLU 128 far 0 50 0 - 9.3-12.6 HB2 ASN 121 - HB3 GLU 128 far 0 45 0 - 9.8-12.9 Violated in 2 structures by 0.01 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 4.4-5.9 6938/2123=97...(11) H ASP 47 + HG3 GLN 68 OK 39 100 45 86 7.0-8.9 10995/11016=80...(3) 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 2.0-3.4 9531=66, 6983/6973=63...(25) HD2 HIS 67 - HA LEU 69 far 0 92 0 - 7.6-9.7 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 2 assignments used, quality = 1.00: QE TYR 72 + HA LEU 69 OK 100 100 100 100 3.1-5.3 2.2/11028=96, 9540=75...(19) HE21 GLN 68 + HA LEU 69 OK 36 90 40 100 4.9-8.1 6923/2.9=47, ~2158=45...(23) Violated in 0 structures by 0.00 A. Peak 11030 from aliabs.peaks (7.16, 2.16, 40.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.83: QD TYR 72 + HB3 LEU 69 OK 78 78 100 100 3.1-6.0 11028/3.0=92, ~2178=73...(42) HD2 HIS 67 + HB3 LEU 69 OK 21 100 35 59 7.4-9.4 11081/2197=37...(6) Violated in 0 structures by 0.00 A. Peak 11031 from aliabs.peaks (6.47, 0.74, 22.24 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + QD2 LEU 43 OK 100 100 100 100 4.1-5.9 10555/11776=91...(13) QD TYR 76 + QD2 LEU 43 OK 25 57 75 59 5.0-6.6 9109/9129=31...(6) Violated in 3 structures by 0.02 A. Peak 11033 from aliabs.peaks (0.78, 4.35, 58.02 ppm; 5.10 A): 2 out of 9 assignments used, quality = 0.86: QD1 LEU 96 + HA LEU 69 OK 73 97 75 100 5.0-6.5 ~11805=63, ~11694=60...(13) QD2 LEU 49 + HA LEU 69 OK 50 93 55 98 4.5-7.3 11056/2.9=45...(14) QD1 LEU 70 - HA LEU 69 poor 12 60 20 - 5.9-6.3 QD1 ILE 37 - HA LEU 69 far 5 92 5 - 5.9-8.4 QD1 LEU 122 - HA LEU 69 far 0 76 0 - 6.6-10.0 QD1 ILE 32 - HA LEU 69 far 0 92 0 - 6.6-17.0 QD2 LEU 122 - HA LEU 69 far 0 100 0 - 6.8-10.3 QD1 LEU 53 - HA LEU 69 far 0 97 0 - 8.4-14.1 QG1 VAL 63 - HA LEU 69 far 0 100 0 - 8.9-10.4 Violated in 6 structures by 0.14 A. Peak 11034 from aliabs.peaks (0.81, 1.65, 40.44 ppm; 4.75 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 49 + HB2 LEU 69 OK 96 97 100 99 2.9-5.6 11250/6941=48, ~11048=34...(29) QD1 LEU 70 + HB2 LEU 69 OK 79 100 80 99 4.8-6.8 6950/6941=69...(16) QG2 ILE 129 + HB2 LEU 69 OK 62 90 70 98 4.1-7.4 ~11713=40, ~11038=39...(15) QD2 LEU 122 - HB2 LEU 69 poor 20 78 25 - 4.8-8.3 QD1 LEU 122 - HB2 LEU 69 far 10 100 10 - 4.5-9.3 QD1 LEU 53 - HB2 LEU 69 far 0 92 0 - 6.2-12.6 QG1 VAL 63 - HB2 LEU 69 far 0 68 0 - 7.5-10.8 QD1 LEU 103 - HB2 LEU 69 far 0 65 0 - 8.7-12.7 Violated in 0 structures by 0.00 A. Peak 11035 from aliabs.peaks (0.78, 2.16, 40.44 ppm; 4.87 A): 4 out of 10 assignments used, quality = 1.00: QD1 LEU 96 + HB3 LEU 69 OK 100 100 100 100 2.8-5.7 ~11805=77, ~11694=73...(19) QD2 LEU 49 + HB3 LEU 69 OK 80 81 100 100 2.6-5.4 9431/9443=62...(29) QD2 LEU 96 + HB3 LEU 69 OK 65 65 100 100 1.9-5.7 11805/1.8=52, ~11710=43...(20) QG1 VAL 93 + HB3 LEU 69 OK 25 68 40 91 4.0-8.0 ~11407=64, ~11043=39...(9) QD2 LEU 122 - HB3 LEU 69 poor 19 97 20 - 4.3-9.1 QD1 LEU 53 - HB3 LEU 69 far 0 89 0 - 6.3-12.0 QG1 VAL 63 - HB3 LEU 69 far 0 99 0 - 7.1-10.1 QD1 ILE 32 - HB3 LEU 69 far 0 99 0 - 7.7-19.2 QD1 ILE 37 - HB3 LEU 69 far 0 99 0 - 8.0-10.5 QD1 LEU 103 - HB3 LEU 69 far 0 100 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 11036 from aliabs.peaks (0.78, 1.51, 27.00 ppm; 3.78 A): 2 out of 10 assignments used, quality = 0.94: QD2 LEU 49 + HG LEU 69 OK 76 93 85 96 2.2-7.1 11061/2.1=44, 1574=26...(24) QD1 LEU 96 + HG LEU 69 OK 74 97 80 96 3.2-4.9 11061/2.1=40, ~11805=35...(14) QD1 LEU 70 - HG LEU 69 far 6 60 10 - 4.5-7.3 QD2 LEU 122 - HG LEU 69 far 0 100 0 - 4.9-8.1 QD1 LEU 122 - HG LEU 69 far 0 76 0 - 5.0-8.8 QD1 LEU 53 - HG LEU 69 far 0 97 0 - 5.7-12.2 QD1 ILE 37 - HG LEU 69 far 0 92 0 - 7.8-11.3 QG1 VAL 63 - HG LEU 69 far 0 100 0 - 8.2-10.6 QD1 ILE 32 - HG LEU 69 far 0 92 0 - 9.0-19.7 QD1 LEU 103 - HG LEU 69 far 0 100 0 - 9.6-12.0 Violated in 6 structures by 0.07 A. Peak 11037 from aliabs.peaks (0.76, 1.01, 23.36 ppm; 3.49 A): 3 out of 10 assignments used, quality = 0.78: QD2 LEU 96 + QD1 LEU 69 OK 63 99 65 98 2.0-5.1 11805/3.2=51...(21) QD1 LEU 96 + QD1 LEU 69 OK 24 87 30 90 2.6-5.5 11040/2.1=40...(13) HG12 ILE 129 + QD1 LEU 69 OK 22 98 25 92 3.5-7.5 2.1/11038=63, ~11713=32...(11) QD2 LEU 43 - QD1 LEU 69 far 10 97 10 - 4.1-5.9 QG1 VAL 93 - QD1 LEU 69 far 5 100 5 - 4.3-7.1 QD1 ILE 37 - QD1 LEU 69 far 0 95 0 - 5.9-8.1 QD1 ILE 32 - QD1 LEU 69 far 0 95 0 - 6.7-15.8 QD2 LEU 103 - QD1 LEU 69 far 0 78 0 - 8.0-10.5 QG1 VAL 63 - QD1 LEU 69 far 0 65 0 - 8.3-9.5 QD1 LEU 103 - QD1 LEU 69 far 0 68 0 - 8.7-11.5 Violated in 11 structures by 0.33 A. Peak 11038 from aliabs.peaks (0.66, 1.01, 23.36 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.39: QD1 ILE 129 + QD1 LEU 69 OK 39 93 45 92 3.6-6.5 11713/2.1=51...(14) QD2 LEU 100 - QD1 LEU 69 far 0 93 0 - 5.8-8.4 QD1 LEU 43 - QD1 LEU 69 far 0 95 0 - 6.1-7.6 QD2 LEU 62 - QD1 LEU 69 far 0 96 0 - 6.8-9.4 Violated in 18 structures by 1.27 A. Peak 11039 from aliabs.peaks (0.57, 1.01, 23.36 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.85: QD2 LEU 42 + QD1 LEU 69 OK 85 95 90 99 2.8-4.4 2.1/11065=44...(26) QD1 LEU 100 - QD1 LEU 69 far 3 65 5 - 4.0-6.9 Violated in 15 structures by 0.46 A. Peak 11040 from aliabs.peaks (0.76, 0.87, 27.95 ppm; 3.01 A): 2 out of 11 assignments used, quality = 0.77: QD1 LEU 96 + QD2 LEU 69 OK 52 93 70 80 2.0-4.7 11067/2.1=20, ~11805=19...(15) QD2 LEU 96 + QD2 LEU 69 OK 51 97 60 88 2.6-4.2 11805/3.0=38...(18) QD2 LEU 122 - QD2 LEU 69 poor 16 65 25 - 3.5-7.5 HG12 ILE 129 - QD2 LEU 69 far 0 95 0 - 3.9-8.4 QD2 LEU 43 - QD2 LEU 69 far 0 92 0 - 5.1-7.6 QG1 VAL 93 - QD2 LEU 69 far 0 98 0 - 5.4-7.1 QD2 LEU 103 - QD2 LEU 69 far 0 68 0 - 6.0-8.8 QG1 VAL 63 - QD2 LEU 69 far 0 76 0 - 6.4-8.7 QD1 LEU 103 - QD2 LEU 69 far 0 78 0 - 6.7-10.2 QD1 ILE 37 - QD2 LEU 69 far 0 98 0 - 7.5-9.0 QD1 ILE 32 - QD2 LEU 69 far 0 98 0 - 8.4-16.4 Violated in 15 structures by 0.31 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 poor 16 65 25 - 3.5-5.4 QD2 LEU 100 - QD2 LEU 69 far 4 87 5 - 4.3-6.8 QD1 ILE 129 - QD2 LEU 69 far 0 97 0 - 4.4-6.3 QD2 LEU 62 - QD2 LEU 69 far 0 90 0 - 5.4-7.5 QD1 LEU 43 - QD2 LEU 69 far 0 89 0 - 6.9-9.0 Violated in 20 structures by 0.67 A. Peak 11042 from aliabs.peaks (0.56, 0.87, 27.95 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.25: QD2 LEU 42 + QD2 LEU 69 OK 25 100 25 100 3.9-6.2 11066/2.1=85...(26) Violated in 18 structures by 1.15 A. Peak 11043 from aliabs.peaks (0.30, 0.87, 27.95 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.98: QG2 VAL 93 + QD2 LEU 69 OK 98 99 100 100 4.5-6.4 11407/3.0=85...(16) Violated in 14 structures by 0.28 A. Peak 11044 from aliabs.peaks (1.22, 0.87, 27.95 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 65 + QD2 LEU 69 OK 98 98 100 100 2.0-4.7 11047/2.1=77...(22) QG2 THR 54 - QD2 LEU 69 far 0 73 0 - 8.0-10.6 HG12 ILE 80 - QD2 LEU 69 far 0 99 0 - 9.8-13.3 Violated in 2 structures by 0.01 A. Peak 11045 from aliabs.peaks (1.35, 0.87, 27.95 ppm; 3.51 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 46 + QD2 LEU 69 OK 97 97 100 100 1.9-4.0 2.1/11054=63...(26) HB3 LEU 100 - QD2 LEU 69 far 0 73 0 - 5.3-8.8 HB2 LEU 42 - QD2 LEU 69 far 0 73 0 - 5.5-8.0 QB ALA 29 - QD2 LEU 69 far 0 60 0 - 8.7-17.3 Violated in 4 structures by 0.07 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 1.8-3.3 11060/2.1=50...(25) Violated in 0 structures by 0.00 A. Peak 11047 from aliabs.peaks (1.21, 1.01, 23.36 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.67: QG2 THR 65 + QD1 LEU 69 OK 67 90 75 99 3.7-6.5 11044/2.1=66...(15) QG2 VAL 77 - QD1 LEU 69 far 0 73 0 - 7.1-9.4 HG12 ILE 80 - QD1 LEU 69 far 0 100 0 - 8.0-10.7 Violated in 18 structures by 0.61 A. Peak 11048 from aliabs.peaks (1.94, 0.87, 27.95 ppm; 4.69 A): 1 out of 5 assignments used, quality = 0.59: HB3 LEU 49 + QD2 LEU 69 OK 59 63 95 98 2.6-5.8 3.2/11061=46...(21) HG LEU 53 - QD2 LEU 69 far 0 99 0 - 6.3-10.5 HB ILE 37 - QD2 LEU 69 far 0 68 0 - 8.8-11.0 HB2 LYS 95 - QD2 LEU 69 far 0 99 0 - 8.9-10.9 HB3 LYS 95 - QD2 LEU 69 far 0 100 0 - 9.2-11.4 Violated in 11 structures by 0.21 A. Peak 11049 from aliabs.peaks (1.92, 1.01, 23.36 ppm; 5.17 A): 2 out of 7 assignments used, quality = 0.51: HB3 LEU 48 + QD1 LEU 69 OK 31 73 50 84 5.3-8.6 1438/11056=41...(8) HB3 LEU 49 + QD1 LEU 69 OK 30 100 30 100 4.6-7.7 10960/11047=62...(22) HG LEU 53 - QD1 LEU 69 far 0 87 0 - 8.2-12.1 HB2 GLU 40 - QD1 LEU 69 far 0 85 0 - 8.3-11.1 HB2 LYS 95 - QD1 LEU 69 far 0 85 0 - 8.4-11.6 HB3 LYS 95 - QD1 LEU 69 far 0 78 0 - 9.2-12.5 HB2 ARG 90 - QD1 LEU 69 far 0 100 0 - 9.6-12.7 Violated in 12 structures by 0.44 A. Peak 11050 from aliabs.peaks (2.93, 0.87, 27.95 ppm; 5.59 A): 1 out of 4 assignments used, quality = 1.00: HB2 CYS 45 + QD2 LEU 69 OK 100 100 100 100 2.0-4.3 11062/2.1=99, ~11061=82...(26) HE2 LYS 36 - QD2 LEU 69 far 0 68 0 - 7.3-11.9 HE3 LYS 36 - QD2 LEU 69 far 0 68 0 - 7.3-11.4 HE2 LYS 39 - QD2 LEU 69 far 0 100 0 - 9.5-13.4 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 3 assignments used, quality = 0.57: HB3 CYS 45 + QD2 LEU 69 OK 57 57 100 100 1.9-5.6 ~11062=88, 1.8/11050=85...(23) HB3 TYR 76 - QD2 LEU 69 far 0 93 0 - 7.0-9.3 HD3 ARG 90 - QD2 LEU 69 far 0 90 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 11052 from aliabs.peaks (3.44, 0.87, 27.95 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.79: HA VAL 126 + QD2 LEU 69 OK 79 100 85 93 3.1-5.4 9187/11045=43, ~11069=38...(13) HA ILE 129 - QD2 LEU 69 far 0 90 0 - 6.0-8.9 HA VAL 77 - QD2 LEU 69 far 0 96 0 - 9.6-12.3 Violated in 17 structures by 0.44 A. Peak 11053 from aliabs.peaks (3.63, 0.87, 27.95 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 66 + QD2 LEU 69 OK 98 100 100 98 1.8-4.6 11058/2.1=62...(28) HA3 GLY 66 + QD2 LEU 69 OK 87 100 90 97 3.1-6.1 ~11058=49, 2.9/9433=19...(27) Violated in 1 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 1.8-3.5 9174=92, 2.1/11045=71...(24) HA LEU 70 - QD2 LEU 69 far 14 97 15 - 3.5-6.1 HB3 SER 50 - QD2 LEU 69 far 0 95 0 - 5.6-8.3 HA ALA 41 - QD2 LEU 69 far 0 78 0 - 7.1-9.5 HA3 GLY 75 - QD2 LEU 69 far 0 100 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11055 from aliabs.peaks (4.07, 0.87, 27.95 ppm; 4.63 A): 1 out of 9 assignments used, quality = 0.69: HB THR 65 + QD2 LEU 69 OK 69 99 70 99 4.2-6.4 2.1/11044=79, ~11047=56...(17) HA LEU 96 - QD2 LEU 69 far 0 89 0 - 6.1-8.2 HA GLU 44 - QD2 LEU 69 far 0 60 0 - 6.2-8.7 HA LEU 48 - QD2 LEU 69 far 0 57 0 - 6.2-8.1 HB3 SER 74 - QD2 LEU 69 far 0 97 0 - 7.6-9.9 HB2 SER 74 - QD2 LEU 69 far 0 92 0 - 7.8-10.0 HA PHE 89 - QD2 LEU 69 far 0 92 0 - 8.3-10.7 HA ALA 92 - QD2 LEU 69 far 0 90 0 - 8.8-10.8 HA GLN 104 - QD2 LEU 69 far 0 87 0 - 9.8-13.2 Violated in 10 structures by 0.46 A. Peak 11056 from aliabs.peaks (4.10, 1.01, 23.36 ppm; 4.51 A): 1 out of 5 assignments used, quality = 0.76: HA CYS 45 + QD1 LEU 69 OK 76 96 80 100 3.6-6.1 3.0/11062=75...(21) HA LEU 49 - QD1 LEU 69 far 0 100 0 - 6.2-8.8 HA PHE 89 - QD1 LEU 69 far 0 89 0 - 6.5-9.8 HA LEU 48 - QD1 LEU 69 far 0 100 0 - 7.0-9.4 HA ILE 80 - QD1 LEU 69 far 0 78 0 - 8.7-12.6 Violated in 10 structures by 0.44 A. Peak 11057 from aliabs.peaks (3.88, 1.01, 23.36 ppm; 3.85 A): 2 out of 8 assignments used, quality = 0.96: HA ALA 46 + QD1 LEU 69 OK 93 93 100 100 2.0-4.2 2.1/11046=80...(24) HA LEU 70 + QD1 LEU 69 OK 39 100 40 99 3.4-5.8 2.9/6944=43, 4.9/2208=36...(19) HA LEU 123 - QD1 LEU 69 far 0 65 0 - 6.0-8.9 HB3 SER 50 - QD1 LEU 69 far 0 100 0 - 6.5-9.7 HA3 GLY 75 - QD1 LEU 69 far 0 92 0 - 8.3-10.5 HA LYS 86 - QD1 LEU 69 far 0 98 0 - 9.2-12.2 HD2 PRO 81 - QD1 LEU 69 far 0 68 0 - 9.3-13.6 HB2 SER 94 - QD1 LEU 69 far 0 81 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 11058 from aliabs.peaks (3.64, 1.01, 23.36 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.85: HA2 GLY 66 + QD1 LEU 69 OK 85 97 90 98 4.0-6.1 11053/2.1=40, ~11053=28...(24) HA3 GLY 66 - QD1 LEU 69 far 10 99 10 - 5.2-7.3 Violated in 13 structures by 0.36 A. Peak 11059 from aliabs.peaks (3.46, 1.01, 23.36 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.98: HA LEU 42 + QD1 LEU 69 OK 97 98 100 99 2.0-5.0 9072=68, 3.9/11039=58...(11) HA VAL 126 + QD1 LEU 69 OK 38 71 60 89 3.1-6.0 3.0/11069=54...(14) HA ILE 129 - QD1 LEU 69 far 5 99 5 - 4.5-7.8 HA VAL 77 - QD1 LEU 69 far 0 97 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 11060 from aliabs.peaks (3.34, 1.01, 23.36 ppm; 4.20 A): 2 out of 6 assignments used, quality = 1.00: HB3 TYR 72 + QD1 LEU 69 OK 100 100 100 100 2.7-4.9 2.7/11064=65...(22) HB3 CYS 73 + QD1 LEU 69 OK 32 60 60 90 1.9-5.9 3.8/11084=41...(18) HB2 HIS 67 - QD1 LEU 69 far 0 100 0 - 6.4-8.8 HB2 PHE 89 - QD1 LEU 69 far 0 81 0 - 7.5-10.5 HB3 PHE 89 - QD1 LEU 69 far 0 100 0 - 7.5-10.6 HA VAL 63 - QD1 LEU 69 far 0 73 0 - 8.4-10.0 Violated in 1 structures by 0.01 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 1.9-4.9 1.8/11062=84...(22) Violated in 4 structures by 0.07 A. Peak 11062 from aliabs.peaks (2.94, 1.01, 23.36 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: HB2 CYS 45 + QD1 LEU 69 OK 100 100 100 100 1.8-4.7 9160=69, 1.8/11061=66...(20) HE2 LYS 36 - QD1 LEU 69 far 0 78 0 - 5.8-11.9 HE3 LYS 36 - QD1 LEU 69 far 0 78 0 - 6.1-10.8 HE2 LYS 39 - QD1 LEU 69 far 0 98 0 - 7.8-11.4 HE3 LYS 26 - QD1 LEU 69 far 0 73 0 - 8.9-30.0 HE3 LYS 39 - QD1 LEU 69 far 0 98 0 - 8.9-11.3 HE2 LYS 26 - QD1 LEU 69 far 0 81 0 - 9.6-29.4 Violated in 3 structures by 0.07 A. Peak 11063 from aliabs.peaks (3.33, 0.87, 27.95 ppm; 5.78 A): 3 out of 5 assignments used, quality = 0.99: HB3 TYR 72 + QD2 LEU 69 OK 95 95 100 100 4.1-5.9 9514/2.1=77...(20) HB3 CYS 73 + QD2 LEU 69 OK 60 87 70 98 4.2-7.5 11073/2.1=44...(16) HB2 HIS 67 + QD2 LEU 69 OK 35 92 50 76 5.4-8.4 9464/3.0=58...(8) HB2 PHE 89 - QD2 LEU 69 far 0 97 0 - 9.3-12.0 HB3 PHE 89 - QD2 LEU 69 far 0 97 0 - 9.5-12.1 Violated in 0 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 = 0.95: QD TYR 72 + QD1 LEU 69 OK 95 100 95 100 1.9-5.3 2.7/11060=47...(25) HD2 HIS 67 - QD1 LEU 69 far 0 65 0 - 7.5-9.7 Violated in 3 structures by 0.11 A. Peak 11065 from aliabs.peaks (6.81, 1.01, 23.36 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.85: QE TYR 72 + QD1 LEU 69 OK 80 100 80 100 3.4-6.7 2.2/11064=86...(21) HE21 GLN 68 + QD1 LEU 69 OK 23 99 25 95 3.4-8.3 6923/4.3=32, ~11022=30...(16) HE21 GLN 127 - QD1 LEU 69 far 0 93 0 - 6.8-11.6 Violated in 8 structures by 0.33 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 2.8-4.9 9563=96, 3.5/9522=91...(26) Violated in 0 structures by 0.00 A. Peak 11067 from aliabs.peaks (7.66, 1.01, 23.36 ppm; 5.99 A): 1 out of 2 assignments used, quality = 0.63: H CYS 45 + QD1 LEU 69 OK 63 63 100 100 3.4-5.8 3.2/11083=95...(22) H GLN 101 - QD1 LEU 69 far 0 60 0 - 8.7-11.9 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 3.5-5.6 11080/2.1=99...(27) 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 3.4-6.6 2.2/11068=88, ~11064=86...(18) HE21 GLN 68 + QD2 LEU 69 OK 67 78 85 100 2.4-7.8 4.6/11021=73...(16) HE21 GLN 127 - QD2 LEU 69 far 3 63 5 - 6.5-10.9 Violated in 2 structures by 0.01 A. Peak 11070 from aliabs.peaks (4.33, 0.74, 22.24 ppm; 4.59 A): 2 out of 7 assignments used, quality = 0.93: HA GLN 134 + QD2 LEU 43 OK 83 87 95 100 3.5-5.6 11682=69, 3.0/11074=63...(20) HA ASP 131 + QD2 LEU 43 OK 59 65 100 91 4.2-5.3 4.9/11747=49...(9) HA ASP 47 - QD2 LEU 43 far 5 100 5 - 5.4-7.2 HA LEU 69 - QD2 LEU 43 far 0 95 0 - 6.7-8.6 HA TYR 76 - QD2 LEU 43 far 0 63 0 - 7.8-9.6 HA PRO 81 - QD2 LEU 43 far 0 99 0 - 8.6-14.3 HA CYS 125 - QD2 LEU 43 far 0 81 0 - 9.6-10.6 Violated in 1 structures by 0.01 A. Peak 11071 from aliabs.peaks (1.34, 0.74, 22.24 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + QD2 LEU 43 OK 100 100 100 100 2.9-3.5 9176=100, 9177/9129=46...(17) Violated in 3 structures by 0.00 A. Peak 11072 from aliabs.peaks (1.04, 0.74, 22.24 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.7-2.6 11776=100, 2.1/11777=73...(31) QG1 VAL 77 - QD2 LEU 43 far 0 89 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 11073 from aliabs.peaks (1.16, 0.74, 22.24 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.99: HG3 LYS 39 + QD2 LEU 43 OK 99 99 100 100 2.5-4.1 11901/2.1=66...(35) HG2 LYS 39 + QD2 LEU 43 OK 41 83 50 98 3.2-5.2 ~11901=46, 11806/2.1=30...(36) QG2 VAL 132 - QD2 LEU 43 far 0 92 0 - 5.5-6.2 QB ALA 41 - QD2 LEU 43 far 0 81 0 - 5.8-7.1 QG1 VAL 132 - QD2 LEU 43 far 0 65 0 - 5.9-6.8 QG2 THR 25 - QD2 LEU 43 far 0 78 0 - 10.0-24.2 Violated in 4 structures by 0.03 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 2.3-4.5 2.9/9127=80, 2.9/9124=77...(26) HG2 GLU 44 - QD2 LEU 43 far 0 87 0 - 6.2-7.0 HG2 GLN 127 - QD2 LEU 43 far 0 98 0 - 6.7-9.0 HG2 GLU 128 - QD2 LEU 43 far 0 99 0 - 7.7-9.3 HG3 GLN 68 - QD2 LEU 43 far 0 92 0 - 8.2-11.4 HB VAL 77 - QD2 LEU 43 far 0 99 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 11075 from aliabs.peaks (8.13, 0.74, 22.24 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.99: H VAL 133 + QD2 LEU 43 OK 99 99 100 100 3.6-4.4 7935/11776=82...(15) H ASP 71 - QD2 LEU 43 far 0 100 0 - 10.0-11.8 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 3.8-4.1 2.9/11747=95...(20) H LEU 48 - QD2 LEU 43 far 0 100 0 - 7.1-7.7 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 1 assignment used, quality = 0.71: H ALA 46 + QD2 LEU 43 OK 71 71 100 100 4.6-5.0 3.1/9176=97...(9) 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 2.7-7.0 11080/3.2=90...(12) HD2 HIS 67 + HB2 LEU 70 OK 91 91 100 100 2.7-6.6 11080/3.2=90...(10) Violated in 0 structures by 0.00 A. Peak 11079 from aliabs.peaks (7.17, 3.88, 58.34 ppm; 5.88 A): 1 out of 1 assignment used, quality = 0.50: HD2 HIS 67 + HA LEU 70 OK 50 100 50 100 5.3-8.5 11081/2269=91...(6) Violated in 13 structures by 1.00 A. Peak 11080 from aliabs.peaks (7.16, 0.81, 25.48 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.84: HD2 HIS 67 + QD1 LEU 70 OK 84 100 85 99 1.9-5.9 11081/2.1=72...(11) HD2 HIS 67 - QD1 LEU 122 far 0 95 0 - 6.0-9.8 QD TYR 72 - QD1 LEU 70 far 0 73 0 - 6.5-7.5 QD TYR 72 - QD1 LEU 122 far 0 65 0 - 8.0-11.5 Violated in 9 structures by 0.34 A. Peak 11081 from aliabs.peaks (7.16, 0.86, 25.01 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.98: HD2 HIS 67 + QD2 LEU 70 OK 98 100 100 98 2.2-4.6 11096/2.1=77...(7) QD TYR 72 - QD2 LEU 70 far 0 73 0 - 6.3-7.7 Violated in 10 structures by 0.08 A. Peak 11082 from aliabs.peaks (8.28, 0.81, 25.48 ppm; 5.05 A): 5 out of 12 assignments used, quality = 0.99: H LEU 123 + QD1 LEU 122 OK 81 82 100 100 1.9-4.8 7744/3.1=52, 3.6/3893=48...(25) H VAL 126 + QD1 LEU 122 OK 70 94 75 99 3.4-6.2 10405/3.1=52...(22) H SER 99 + QD1 LEU 122 OK 45 92 50 99 3.9-6.6 11382/2.1=41, ~10026=33...(24) H LEU 69 + QD1 LEU 70 OK 41 92 45 99 4.8-6.5 3.6/6950=77...(11) H LEU 96 + QD1 LEU 70 OK 34 99 35 98 5.2-6.9 11083/2.1=72...(14) H LEU 49 - QD1 LEU 122 poor 16 80 20 - 5.6-9.0 H LEU 96 - QD1 LEU 122 far 9 92 10 - 5.3-7.6 H LEU 69 - QD1 LEU 122 far 8 83 10 - 5.4-8.8 H SER 99 - QD1 LEU 70 far 0 99 0 - 6.4-7.7 H VAL 126 - QD1 LEU 70 far 0 100 0 - 8.0-9.9 H LEU 123 - QD1 LEU 70 far 0 90 0 - 9.3-12.1 H ASP 131 - QD1 LEU 122 far 0 89 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11083 from aliabs.peaks (8.27, 0.86, 25.01 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.72: H LEU 96 + QD2 LEU 70 OK 72 98 75 99 4.3-5.4 3.8/11916=45, 11355=44...(16) H SER 99 - QD2 LEU 70 far 0 71 0 - 5.2-6.1 H VAL 126 - QD2 LEU 70 far 0 95 0 - 6.2-7.9 H LEU 123 - QD2 LEU 70 far 0 100 0 - 7.8-9.7 Violated in 20 structures by 0.70 A. Peak 11084 from aliabs.peaks (7.72, 0.86, 25.01 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.90: H LEU 98 + QD2 LEU 70 OK 71 71 100 100 4.5-5.3 3.6/11090=92...(17) H LYS 95 + QD2 LEU 70 OK 65 87 75 99 5.5-6.7 3.1/11083=89...(12) 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 = 0.98: H LEU 98 + QD1 LEU 70 OK 97 97 100 100 5.0-6.1 3.6/11101=100...(13) H LEU 98 + QD1 LEU 122 OK 32 89 60 60 5.5-8.2 7390/10026=24...(8) H GLU 55 - QD1 LEU 122 far 13 85 15 - 7.5-10.9 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 - 8.7-11.2 Violated in 20 structures by 5.30 A. Peak 11087 from aliabs.peaks (8.60, 0.81, 25.48 ppm; 5.59 A): 0 out of 0 assignments used, quality = 0.00: Peak 11088 from aliabs.peaks (4.22, 0.81, 25.48 ppm; 3.76 A): 2 out of 9 assignments used, quality = 0.62: HA HIS 67 + QD1 LEU 70 OK 53 96 55 100 1.9-5.2 9462=89, 11089/2.1=67...(19) HA SER 94 + QD1 LEU 70 OK 21 85 30 81 3.7-6.3 3117/11111=33...(11) HA SER 99 - QD1 LEU 122 far 14 94 15 - 3.9-7.1 HA HIS 67 - QD1 LEU 122 far 0 88 0 - 5.0-8.6 HA SER 124 - QD1 LEU 122 far 0 65 0 - 5.9-8.9 HA SER 99 - QD1 LEU 70 far 0 100 0 - 7.7-9.6 HA SER 94 - QD1 LEU 122 far 0 76 0 - 8.0-10.4 HA SER 51 - QD1 LEU 122 far 0 95 0 - 8.6-11.8 HA GLU 128 - QD1 LEU 122 far 0 58 0 - 9.1-12.0 Violated in 10 structures by 0.26 A. Peak 11089 from aliabs.peaks (4.21, 0.86, 25.01 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: HA HIS 67 + QD2 LEU 70 OK 99 100 100 99 2.3-3.9 9462/2.1=71...(20) HA SER 94 - QD2 LEU 70 far 7 68 10 - 4.6-5.5 HA SER 99 - QD2 LEU 70 far 0 96 0 - 6.9-7.8 Violated in 3 structures by 0.02 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 1.8-2.5 10000/2.1=63...(27) HB2 SER 99 - QD2 LEU 70 far 0 100 0 - 5.8-7.4 HB3 SER 130 - QD2 LEU 70 far 0 99 0 - 9.3-11.7 HA LEU 43 - QD2 LEU 70 far 0 95 0 - 9.3-11.3 HA SER 130 - QD2 LEU 70 far 0 98 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 11091 from aliabs.peaks (3.76, 0.81, 25.48 ppm; 3.68 A): 2 out of 7 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 70 OK 100 100 100 100 2.6-4.1 10000=93, 11090/2.1=74...(27) HB2 SER 99 + QD1 LEU 122 OK 51 94 55 99 2.1-5.5 11479/2.1=43, 11479=36...(37) HA GLU 97 - QD1 LEU 122 far 9 95 10 - 4.2-6.9 HB2 SER 99 - QD1 LEU 70 far 0 100 0 - 6.9-9.6 HB3 SER 130 - QD1 LEU 122 far 0 92 0 - 8.6-12.6 HA LEU 43 - QD1 LEU 122 far 0 86 0 - 9.9-12.9 HA SER 130 - QD1 LEU 70 far 0 98 0 - 9.9-12.9 Violated in 5 structures by 0.04 A. Peak 11092 from aliabs.peaks (2.96, 0.81, 25.48 ppm; 5.27 A): 1 out of 9 assignments used, quality = 0.84: HB3 ASN 121 + QD1 LEU 122 OK 84 85 100 98 3.8-5.7 7725/4.3=64, ~10307=45...(17) HB3 ASN 116 - QD1 LEU 122 far 2 50 5 - 6.0-9.3 HE2 LYS 19 - QD1 LEU 70 far 0 99 0 - 7.1-27.7 HE3 LYS 19 - QD1 LEU 70 far 0 99 0 - 7.8-27.8 HB2 CYS 45 - QD1 LEU 122 far 0 55 0 - 7.8-10.9 HB2 CYS 45 - QD1 LEU 70 far 0 63 0 - 8.4-9.9 HE2 LYS 36 - QD1 LEU 70 far 0 100 0 - 9.8-13.0 HB3 ASN 121 - QD1 LEU 70 far 0 93 0 - 9.8-12.2 HE3 LYS 24 - QD1 LEU 70 far 0 90 0 - 10.0-31.7 Violated in 11 structures by 0.13 A. Peak 11093 from aliabs.peaks (3.33, 0.86, 25.01 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.52: HB3 CYS 73 + QD2 LEU 70 OK 52 68 80 96 3.6-6.3 ~9490=50, 9497/2.1=35...(16) HB2 HIS 67 - QD2 LEU 70 poor 20 99 20 - 4.7-6.4 HA VAL 63 - QD2 LEU 70 far 0 65 0 - 5.5-7.5 HB3 TYR 72 - QD2 LEU 70 far 0 100 0 - 6.3-7.5 HB3 PHE 89 - QD2 LEU 70 far 0 100 0 - 9.1-11.1 HB2 PHE 89 - QD2 LEU 70 far 0 87 0 - 9.6-11.1 Violated in 18 structures by 0.62 A. Peak 11094 from aliabs.peaks (2.75, 0.86, 25.01 ppm; 4.23 A): 0 out of 4 assignments used, quality = 0.00: HB2 CYS 73 - QD2 LEU 70 far 14 90 15 - 4.6-6.8 HB2 CYS 125 - QD2 LEU 70 far 0 73 0 - 5.6-6.8 HB2 TYR 76 - QD2 LEU 70 far 0 98 0 - 8.0-10.2 HB2 ASP 64 - QD2 LEU 70 far 0 100 0 - 8.5-10.7 Violated in 20 structures by 0.91 A. Peak 11095 from aliabs.peaks (2.21, 3.88, 58.34 ppm; 4.77 A): 1 out of 6 assignments used, quality = 0.27: HG2 GLU 97 + HA LEU 70 OK 27 65 60 68 3.7-7.6 11110/2261=31...(6) HB3 GLU 97 - HA LEU 70 poor 20 100 20 - 4.6-7.2 HB3 LEU 96 - HA LEU 70 far 3 65 5 - 5.6-7.1 HG2 GLN 68 - HA LEU 70 far 0 100 0 - 7.0-8.2 HB2 GLN 68 - HA LEU 70 far 0 100 0 - 7.5-8.6 HB2 GLN 101 - HA LEU 70 far 0 97 0 - 8.9-12.7 Violated in 14 structures by 0.91 A. Peak 11096 from aliabs.peaks (2.75, 1.71, 41.52 ppm; 5.76 A): 1 out of 6 assignments used, quality = 0.36: HB2 CYS 73 + HB3 LEU 70 OK 36 81 45 100 4.3-7.5 9490/3.2=88, 2232/3.0=76...(19) HB2 CYS 73 - HB2 LEU 70 poor 18 90 20 - 4.8-7.6 HB2 CYS 125 - HB3 LEU 70 far 0 64 0 - 7.8-9.7 HB2 TYR 76 - HB3 LEU 70 far 0 90 0 - 9.2-11.3 HB2 TYR 76 - HB2 LEU 70 far 0 98 0 - 9.3-10.8 HB2 CYS 125 - HB2 LEU 70 far 0 73 0 - 9.5-11.2 Violated in 18 structures by 0.96 A. Peak 11097 from aliabs.peaks (3.32, 1.71, 41.52 ppm; 5.35 A): 4 out of 6 assignments used, quality = 0.98: HB3 CYS 73 + HB3 LEU 70 OK 78 82 95 100 4.3-6.6 11093/3.2=77...(18) HB3 CYS 73 + HB2 LEU 70 OK 69 92 75 100 4.9-6.8 11093/3.2=77...(17) HB2 HIS 67 + HB2 LEU 70 OK 52 87 60 100 4.9-7.5 ~9462=50, ~11089=50...(27) HB2 HIS 67 + HB3 LEU 70 OK 42 77 55 100 5.0-8.3 ~9462=50, ~11089=50...(29) HB3 TYR 72 - HB2 LEU 70 far 0 90 0 - 6.6-7.5 HB3 TYR 72 - HB3 LEU 70 far 0 81 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 11098 from aliabs.peaks (3.41, 0.81, 25.48 ppm; 5.24 A): 2 out of 4 assignments used, quality = 0.61: HB3 HIS 67 + QD1 LEU 70 OK 45 100 45 100 2.9-7.3 3.0/9462=87...(20) HA VAL 126 + QD1 LEU 122 OK 29 55 55 97 4.8-7.4 ~10405=32, 3.2/11681=26...(23) HB3 HIS 67 - QD1 LEU 122 far 14 95 15 - 5.4-8.9 HA VAL 126 - QD1 LEU 70 far 0 63 0 - 6.9-8.7 Violated in 4 structures by 0.19 A. Peak 11099 from aliabs.peaks (2.14, 0.86, 25.01 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLU 97 + QD2 LEU 70 OK 99 99 100 100 1.9-4.2 11111/2.1=64...(27) HB3 LEU 69 + QD2 LEU 70 OK 43 89 60 80 2.9-6.0 4.4/2268=32, 1.8/2187=21...(11) Violated in 2 structures by 0.02 A. Peak 11100 from aliabs.peaks (2.23, 0.81, 25.48 ppm; 3.56 A): 2 out of 19 assignments used, quality = 1.00: HG2 GLU 97 + QD1 LEU 70 OK 98 98 100 100 2.4-4.4 1.8/9489=69...(29) HB3 GLU 97 + QD1 LEU 70 OK 93 93 100 100 1.9-4.2 1.8/11111=66...(32) HB3 LEU 96 - QD1 LEU 122 far 5 91 5 - 4.2-6.8 HB2 GLN 101 - QD1 LEU 70 far 0 63 0 - 4.7-8.7 HB3 LEU 96 - QD1 LEU 70 far 0 98 0 - 5.2-6.8 HB3 GLN 104 - QD1 LEU 122 far 0 90 0 - 5.5-9.2 HG2 GLU 97 - QD1 LEU 122 far 0 91 0 - 5.6-8.8 HB3 GLN 127 - QD1 LEU 122 far 0 89 0 - 5.9-10.6 HB3 GLU 102 - QD1 LEU 122 far 0 94 0 - 5.9-10.0 HB3 GLU 97 - QD1 LEU 122 far 0 85 0 - 6.3-8.9 HB2 GLN 68 - QD1 LEU 70 far 0 92 0 - 6.3-8.7 HG2 GLN 68 - QD1 LEU 70 far 0 87 0 - 6.3-8.5 HB3 GLN 104 - QD1 LEU 70 far 0 97 0 - 6.4-12.2 HB2 GLN 101 - QD1 LEU 122 far 0 55 0 - 6.7-10.2 HG2 GLN 68 - QD1 LEU 122 far 0 78 0 - 6.9-9.4 HB2 GLN 68 - QD1 LEU 122 far 0 83 0 - 7.1-11.6 HB3 GLU 128 - QD1 LEU 122 far 0 95 0 - 8.9-12.1 HB3 GLU 102 - QD1 LEU 70 far 0 100 0 - 9.2-12.5 HG2 GLU 91 - QD1 LEU 70 far 0 76 0 - 9.3-12.4 Violated in 1 structures by 0.00 A. Peak 11101 from aliabs.peaks (2.14, 0.81, 25.48 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 97 + QD1 LEU 70 OK 100 100 100 100 1.9-4.3 11109/2.1=72...(27) HB VAL 126 + QD1 LEU 122 OK 27 53 65 80 2.7-6.3 2.1/11681=25, ~11677=15...(14) HB3 LEU 69 - QD1 LEU 122 far 4 74 5 - 4.4-8.8 HB3 LEU 69 - QD1 LEU 70 far 0 83 0 - 5.0-7.1 HB2 GLU 97 - QD1 LEU 122 far 0 94 0 - 5.8-9.0 HB VAL 126 - QD1 LEU 70 far 0 60 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 11102 from aliabs.peaks (2.18, 1.71, 41.52 ppm; 5.26 A): 2 out of 8 assignments used, quality = 0.77: HB3 LEU 69 + HB3 LEU 70 OK 65 69 95 100 4.3-6.5 ~6941=65, ~6943=44...(25) HB3 LEU 69 + HB2 LEU 70 OK 35 78 45 100 5.6-7.0 ~6941=65, ~6943=44...(25) HB3 GLN 68 - HB3 LEU 70 far 0 94 0 - 6.4-9.4 HB3 GLN 68 - HB2 LEU 70 far 0 100 0 - 6.9-8.9 HB2 GLN 101 - HB3 LEU 70 far 0 59 0 - 7.6-10.6 HB2 GLN 101 - HB2 LEU 70 far 0 68 0 - 7.8-10.7 HB2 GLN 104 - HB3 LEU 70 far 0 90 0 - 8.4-13.4 HB2 GLN 104 - HB2 LEU 70 far 0 98 0 - 8.6-13.3 Violated in 8 structures by 0.10 A. Peak 11103 from aliabs.peaks (1.37, 1.71, 41.52 ppm; 5.38 A): 4 out of 14 assignments used, quality = 0.94: HB3 LEU 100 + HB3 LEU 70 OK 60 93 65 99 4.5-7.7 ~11107=52, ~11115=50...(18) HG LEU 96 + HB3 LEU 70 OK 54 54 100 100 3.4-5.7 ~11810=65, ~11692=58...(18) HG LEU 96 + HB2 LEU 70 OK 50 63 80 100 5.1-6.6 ~11810=65, ~11692=58...(18) HB3 LEU 100 + HB2 LEU 70 OK 35 100 35 99 5.6-7.9 ~11107=52, ~11115=50...(18) HB2 LEU 96 - HB3 LEU 70 far 9 88 10 - 5.6-7.7 HB2 LEU 96 - HB2 LEU 70 far 0 97 0 - 7.3-9.2 QB ALA 29 - HB2 LEU 70 far 0 98 0 - 7.6-20.8 QB ALA 29 - HB3 LEU 70 far 0 90 0 - 8.0-21.9 QB ALA 12 - HB2 LEU 70 far 0 97 0 - 8.1-36.8 QB ALA 16 - HB2 LEU 70 far 0 78 0 - 8.5-31.3 QB ALA 15 - HB2 LEU 70 far 0 96 0 - 8.9-33.6 QB ALA 12 - HB3 LEU 70 far 0 89 0 - 9.2-37.8 QB ALA 16 - HB3 LEU 70 far 0 69 0 - 9.8-32.6 HG3 LYS 95 - HB3 LEU 70 far 0 81 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 11104 from aliabs.peaks (3.79, 1.61, 27.00 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.86: HA VAL 118 + HG LEU 119 OK 67 84 80 100 5.1-6.8 3.5/7654=73...(20) HA VAL 118 + HG LEU 122 OK 58 90 65 98 3.8-7.3 7718/4.6=38...(29) HA ARG 90 - HG LEU 70 far 0 100 0 - 9.1-10.9 HD3 PRO 58 - HG LEU 119 far 0 57 0 - 9.5-12.0 Violated in 9 structures by 0.13 A. Peak 11105 from aliabs.peaks (1.40, 1.61, 27.00 ppm; 4.15 A): 2 out of 39 assignments used, quality = 0.84: HG LEU 96 + HG LEU 70 OK 78 100 80 97 4.4-6.0 9488/2.1=62...(14) HB3 LEU 100 + HG LEU 70 OK 30 63 50 95 4.0-6.4 ~11107=40, ~11115=38...(14) HG2 LYS 24 - HG LEU 22 poor 19 54 35 - 2.5-8.2 HB3 LEU 100 - HG LEU 122 poor 17 58 30 - 4.2-6.9 HB2 LEU 96 - HG LEU 122 poor 15 75 20 - 3.1-7.9 HG2 LYS 24 - HG3 ARG 23 poor 13 63 20 - 3.2-7.8 HG LEU 96 - HG LEU 122 far 10 96 10 - 4.5-8.2 HG3 LYS 31 - HG3 ARG 23 far 4 83 5 - 3.9-19.7 QB ALA 28 - HG3 ARG 23 far 4 81 5 - 2.5-14.4 HG3 LYS 26 - HG3 ARG 23 far 4 75 5 - 3.5-12.6 QB ALA 28 - HG LEU 22 far 4 71 5 - 4.7-16.9 QB ALA 29 - HG3 ARG 23 far 3 68 5 - 4.4-17.2 HG2 LYS 26 - HG3 ARG 23 far 3 53 5 - 3.3-13.9 QB ALA 109 - HG LEU 119 far 0 82 0 - 5.1-9.8 HG13 ILE 32 - HG3 ARG 23 far 0 58 0 - 5.9-21.5 QB ALA 110 - HG LEU 119 far 0 73 0 - 6.2-12.9 HG3 LYS 26 - HG LEU 22 far 0 65 0 - 6.4-15.0 QB ALA 16 - HG3 ARG 23 far 0 91 0 - 6.5-16.0 QB ALA 108 - HG LEU 119 far 0 66 0 - 6.5-11.7 HG3 LYS 31 - HG LEU 22 far 0 72 0 - 6.8-25.3 HB2 LEU 96 - HG LEU 70 far 0 81 0 - 6.9-8.7 QB ALA 34 - HG3 ARG 23 far 0 87 0 - 7.1-25.3 HG13 ILE 32 - HG LEU 22 far 0 50 0 - 7.3-21.7 QB ALA 29 - HG LEU 22 far 0 59 0 - 7.4-18.2 HG2 LYS 26 - HG LEU 22 far 0 45 0 - 7.6-16.2 QB ALA 16 - HG LEU 22 far 0 81 0 - 7.6-13.9 QB ALA 92 - HG LEU 122 far 0 58 0 - 7.7-10.2 QB ALA 108 - HG LEU 122 far 0 72 0 - 7.8-14.4 QB ALA 34 - HG LEU 22 far 0 77 0 - 8.0-26.7 QB ALA 15 - HG3 ARG 23 far 0 75 0 - 8.3-16.4 QB ALA 110 - HG LEU 22 far 0 67 0 - 8.3-44.1 QB ALA 16 - HG LEU 70 far 0 97 0 - 8.4-32.7 QB ALA 109 - HG LEU 122 far 0 88 0 - 8.5-14.7 QB ALA 29 - HG LEU 70 far 0 76 0 - 8.9-21.0 HG2 LYS 95 - HG LEU 122 far 0 89 0 - 9.0-12.2 HG3 LYS 95 - HG LEU 122 far 0 85 0 - 9.0-11.8 HB3 LEU 100 - HG LEU 119 far 0 52 0 - 9.1-12.7 QB ALA 92 - HG LEU 70 far 0 63 0 - 9.1-11.1 QB ALA 15 - HG LEU 70 far 0 83 0 - 9.5-32.7 Violated in 16 structures by 0.29 A. Peak 11106 from aliabs.peaks (1.39, 0.86, 25.01 ppm; 3.29 A): 2 out of 10 assignments used, quality = 0.99: HG LEU 96 + QD2 LEU 70 OK 97 100 100 97 1.9-2.9 9488/2.1=44...(22) HB3 LEU 100 + QD2 LEU 70 OK 66 85 85 91 2.1-4.4 3.2/11107=49...(23) HB2 LEU 96 - QD2 LEU 70 poor 19 96 20 - 3.8-5.3 HG2 LYS 95 - QD2 LEU 70 far 0 100 0 - 7.4-9.6 HG3 LYS 95 - QD2 LEU 70 far 0 99 0 - 8.0-9.2 QB ALA 16 - QD2 LEU 70 far 0 100 0 - 8.4-28.3 QB ALA 29 - QD2 LEU 70 far 0 93 0 - 8.5-18.9 HB2 LEU 42 - QD2 LEU 70 far 0 85 0 - 9.1-11.0 QB ALA 108 - QD2 LEU 70 far 0 95 0 - 9.3-14.3 QB ALA 15 - QD2 LEU 70 far 0 97 0 - 9.5-28.2 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 = 0.72: QD1 LEU 100 + QD2 LEU 70 OK 72 76 100 95 1.8-3.2 9487/2.1=34...(26) QD1 ILE 129 - QD2 LEU 70 far 0 60 0 - 4.4-6.0 QD1 LEU 42 - QD2 LEU 70 far 0 96 0 - 5.4-6.8 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 2.2-5.4 11107/3.2=89...(22) QD1 LEU 100 + HB2 LEU 70 OK 77 81 95 100 3.3-6.1 11107/3.2=89...(21) QD1 LEU 42 - HB3 LEU 70 far 0 85 0 - 6.4-7.5 QD1 LEU 42 - HB2 LEU 70 far 0 75 0 - 6.6-7.6 Violated in 1 structures by 0.00 A. Peak 11109 from aliabs.peaks (0.64, 3.88, 58.34 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.85: QD1 LEU 42 + HA LEU 70 OK 80 97 90 92 4.6-5.9 9565/6989=46...(9) QD1 ILE 129 + HA LEU 70 OK 23 99 25 94 5.1-6.8 9967/9484=62...(7) Violated in 14 structures by 0.18 A. Peak 11110 from aliabs.peaks (1.20, 0.81, 25.48 ppm; 4.34 A): 0 out of 6 assignments used, quality = 0.00: QG2 THR 65 - QD1 LEU 122 poor 8 60 35 39 4.3-6.9 2.1/9422=13, 4.4/9434=8...(8) QG2 VAL 77 - QD1 LEU 70 far 0 93 0 - 6.5-9.9 QG2 THR 65 - QD1 LEU 70 far 0 68 0 - 7.1-9.4 QG2 THR 25 - QD1 LEU 70 far 0 76 0 - 7.4-24.1 QG2 THR 25 - QD1 LEU 122 far 0 67 0 - 9.3-28.5 QB ALA 41 - QD1 LEU 70 far 0 73 0 - 9.3-10.9 Violated in 19 structures by 0.93 A. Peak 11111 from aliabs.peaks (2.19, 4.42, 57.33 ppm; 6.11 A): 0 out of 4 assignments used, quality = 0.00: HB3 GLN 68 - HA ASP 71 far 5 95 5 - 7.0-8.7 HB2 GLN 68 - HA ASP 71 far 0 71 0 - 7.3-8.9 HB3 GLU 97 - HA ASP 71 far 0 68 0 - 7.4-9.9 HG2 GLN 68 - HA ASP 71 far 0 78 0 - 7.8-9.2 Violated in 18 structures by 0.35 A. Peak 11112 from aliabs.peaks (2.02, 4.42, 57.33 ppm; 4.91 A): 0 out of 1 assignment used, quality = 0.00: QE MET 11 - HA ASP 71 far 0 100 0 - 7.9-40.6 Violated in 20 structures by 19.80 A. Peak 11113 from aliabs.peaks (1.76, 4.42, 57.33 ppm; 5.60 A): 0 out of 6 assignments used, quality = 0.00: HB2 LYS 19 - HA ASP 71 far 0 83 0 - 6.8-29.0 HB2 LYS 26 - HA ASP 71 far 0 87 0 - 8.1-28.7 HB2 LYS 24 - HA ASP 71 far 0 85 0 - 8.4-30.8 HG LEU 100 - HA ASP 71 far 0 97 0 - 8.7-12.6 HG13 ILE 129 - HA ASP 71 far 0 85 0 - 9.5-11.2 HG3 ARG 90 - HA ASP 71 far 0 68 0 - 9.5-14.1 Violated in 20 structures by 2.83 A. Peak 11114 from aliabs.peaks (2.20, 2.81, 39.26 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.67: HB3 GLN 68 + HB3 ASP 71 OK 49 89 55 100 4.2-6.9 3.0/2129=81...(15) HB2 GLN 68 + HB3 ASP 71 OK 36 81 45 100 4.3-7.3 3.0/2129=81...(15) HG2 GLN 68 - HB3 ASP 71 far 0 87 0 - 5.9-7.9 HB3 GLU 97 - HB3 ASP 71 far 0 78 0 - 8.5-12.2 Violated in 13 structures by 0.47 A. Peak 11115 from aliabs.peaks (0.79, 4.42, 57.33 ppm; 4.55 A): 1 out of 8 assignments used, quality = 0.80: QD1 LEU 70 + HA ASP 71 OK 80 81 100 100 3.5-5.3 3.2/9509=57...(20) QD1 ILE 37 - HA ASP 71 far 11 76 15 - 5.2-7.7 QD1 ILE 32 - HA ASP 71 far 0 76 0 - 6.8-16.2 QD1 LEU 96 - HA ASP 71 far 0 87 0 - 7.3-8.8 QD2 LEU 122 - HA ASP 71 far 0 100 0 - 9.0-12.5 QD1 LEU 122 - HA ASP 71 far 0 92 0 - 9.2-13.0 QD2 LEU 49 - HA ASP 71 far 0 99 0 - 9.2-11.2 QG1 VAL 63 - HA ASP 71 far 0 98 0 - 9.5-10.5 Violated in 7 structures by 0.16 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 3.5-4.1 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 2.3-4.6 1089/9022=91, 9366=88...(28) HA GLN 68 + QD TYR 72 OK 81 81 100 100 3.6-5.8 3.7/9482=66, 3.7/9481=65...(15) HB2 SER 38 - QD TYR 72 far 0 83 0 - 6.9-8.7 HA GLU 44 - QD TYR 72 far 0 87 0 - 7.7-8.8 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 2.3-4.0 9113=98, 10826/9022=62...(14) HA ILE 129 - QD TYR 72 far 0 78 0 - 9.0-11.2 HA VAL 77 - QD TYR 72 far 0 68 0 - 9.0-10.3 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 3.9-5.7 6979/2.9=91, ~6978=78...(8) Violated in 0 structures by 0.00 A. Peak 11121 from aliabs.peaks (1.55, 4.54, 60.34 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 37 + HA TYR 72 OK 100 100 100 100 3.5-5.8 2.1/10749=92...(25) HB3 LEU 42 + HA TYR 72 OK 73 97 75 100 4.4-6.5 3.0/11139=59...(33) Violated in 2 structures by 0.04 A. Peak 11122 from aliabs.peaks (1.00, 4.54, 60.34 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 69 + HA TYR 72 OK 94 99 95 100 4.9-7.3 11064/3.4=94...(28) Violated in 5 structures by 0.14 A. Peak 11123 from aliabs.peaks (1.51, 7.14, 131.84 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.88: HG LEU 42 + QD TYR 72 OK 71 71 100 100 3.2-5.3 2.1/9108=78, 2.1/9111=69...(31) HG LEU 69 + QD TYR 72 OK 60 100 60 100 4.1-6.5 2.1/11064=94...(23) HB2 LEU 49 - QD TYR 72 far 0 92 0 - 8.2-11.4 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 11 assignments used, quality = 1.00: HG2 LYS 36 + QD TYR 72 OK 100 100 100 100 3.8-7.2 10820/9022=97...(8) HB2 LEU 42 + QD TYR 72 OK 97 97 100 100 4.8-6.4 3.0/9113=96...(29) QB ALA 29 - QD TYR 72 far 10 100 10 - 6.3-13.8 HG LEU 96 - QD TYR 72 far 0 93 0 - 8.8-10.3 QB ALA 12 - QD TYR 72 far 0 73 0 - 9.1-30.5 HG2 LYS 19 - QD TYR 72 far 0 95 0 - 9.5-25.6 QB ALA 28 - QD TYR 72 far 0 100 0 - 9.8-16.2 HG3 LYS 26 - QD TYR 72 far 0 100 0 - 9.8-23.5 QB ALA 15 - QD TYR 72 far 0 100 0 - 9.9-25.1 HB2 LEU 96 - QD TYR 72 far 0 100 0 - 9.9-11.4 QB ALA 16 - QD TYR 72 far 0 99 0 - 10.0-26.7 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 9 assignments used, quality = 0.99: HD2 LYS 36 + QD TYR 72 OK 83 89 100 94 4.2-6.1 10912/9022=42...(9) HD3 LYS 36 + QD TYR 72 OK 82 87 100 94 3.4-5.0 10912/9022=46...(10) HB2 LEU 69 + QD TYR 72 OK 60 60 100 100 3.7-6.0 3.2/11064=96...(39) HB2 LEU 70 - QD TYR 72 poor 20 65 35 86 6.7-7.9 ~11135=46, 9509/11927=34...(11) HB2 LEU 43 - QD TYR 72 far 0 71 0 - 7.9-8.9 HD3 LYS 26 - QD TYR 72 far 0 89 0 - 7.9-24.3 HD2 LYS 26 - QD TYR 72 far 0 83 0 - 8.0-25.0 HD2 LYS 19 - QD TYR 72 far 0 60 0 - 8.1-26.4 HD2 LYS 39 - QD TYR 72 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 11126 from aliabs.peaks (1.36, 6.80, 117.87 ppm; 6.19 A): 3 out of 7 assignments used, quality = 0.94: HG2 LYS 36 + QE TYR 72 OK 82 87 100 95 2.0-6.4 10704/10840=53...(10) QB ALA 46 + QE TYR 72 OK 45 76 60 99 5.8-7.7 4.5/9547=82, 4.5/9144=69...(6) HB2 LEU 42 + QE TYR 72 OK 39 97 40 100 6.1-8.0 3.0/11895=84...(13) QB ALA 29 - QE TYR 72 far 14 90 15 - 4.5-13.5 HG3 LYS 26 - QE TYR 72 far 0 85 0 - 7.7-22.9 QB ALA 28 - QE TYR 72 far 0 78 0 - 8.1-15.2 QB ALA 12 - QE TYR 72 far 0 100 0 - 8.7-29.4 Violated in 0 structures by 0.00 A. Peak 11127 from aliabs.peaks (2.94, 7.14, 131.84 ppm; 5.01 A): 3 out of 10 assignments used, quality = 1.00: HB2 CYS 45 + QD TYR 72 OK 100 100 100 100 2.4-3.7 9143=98, 1.8/9145=86...(22) HE2 LYS 36 + QD TYR 72 OK 56 81 90 77 3.0-6.0 9548/2.2=23...(8) HE3 LYS 36 + QD TYR 72 OK 53 81 85 78 3.9-6.7 4.0/11124=20...(8) HE3 LYS 26 - QD TYR 72 far 0 76 0 - 6.0-25.3 HE3 LYS 19 - QD TYR 72 far 0 89 0 - 6.0-25.0 HE2 LYS 19 - QD TYR 72 far 0 89 0 - 6.4-25.6 HE2 LYS 26 - QD TYR 72 far 0 83 0 - 7.0-25.3 HE2 LYS 39 - QD TYR 72 far 0 97 0 - 9.1-12.6 HE2 LYS 31 - QD TYR 72 far 0 83 0 - 9.6-15.3 HE3 LYS 39 - QD TYR 72 far 0 97 0 - 10.0-12.9 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 3.2-5.4 6979/6983=88...(10) HB3 ASP 47 - QD TYR 72 far 0 60 0 - 8.8-10.0 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 = 0.97: HB3 CYS 45 + QD TYR 72 OK 96 96 100 100 2.5-4.3 9145=93, 9547/2.2=84...(19) HB3 TYR 76 + QD TYR 72 OK 34 63 60 91 4.8-6.6 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 4.4-4.4 4.5=100 HB2 HIS 67 - QE TYR 72 far 0 93 0 - 7.1-9.7 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 3.3-5.4 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 2.9-5.3 3.2/9021=89...(17) HA GLN 68 + QE TYR 72 OK 60 60 100 100 3.6-5.1 3.0/9550=87...(12) HB2 SER 38 - QE TYR 72 far 0 63 0 - 7.2-9.3 HB3 SER 74 - QE TYR 72 far 0 63 0 - 7.4-8.8 HA GLU 44 - QE TYR 72 far 0 97 0 - 7.9-8.8 HB2 SER 74 - QE TYR 72 far 0 73 0 - 8.2-10.0 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 2.7-5.0 9482=100, 1.8/9481=96...(19) HG2 GLU 40 - QD TYR 72 far 0 68 0 - 7.1-10.8 HG2 GLU 44 - QD TYR 72 far 0 100 0 - 7.9-9.6 HB VAL 77 - QD TYR 72 far 0 73 0 - 8.6-10.2 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 6 assignments used, quality = 1.00: QG2 ILE 37 + HA TYR 72 OK 100 100 100 100 1.9-2.8 1094/10749=82...(26) QD1 LEU 49 - HA TYR 72 far 0 71 0 - 8.3-12.3 QG1 VAL 20 - HA TYR 72 far 0 60 0 - 8.7-25.0 QG2 VAL 126 - HA TYR 72 far 0 71 0 - 8.9-10.9 QG1 VAL 126 - HA TYR 72 far 0 85 0 - 9.1-10.0 QD1 LEU 48 - HA TYR 72 far 0 63 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 11135 from aliabs.peaks (0.82, 4.54, 60.34 ppm; 5.81 A): 1 out of 6 assignments used, quality = 0.24: QD1 LEU 70 + HA TYR 72 OK 24 99 25 96 6.2-8.4 9523/2.9=76...(10) QG2 ILE 32 - HA TYR 72 far 8 83 10 - 5.6-10.7 QG2 ILE 129 - HA TYR 72 far 0 100 0 - 6.7-7.8 QG1 VAL 133 - HA TYR 72 far 0 83 0 - 7.8-9.2 QD2 LEU 49 - HA TYR 72 far 0 78 0 - 9.1-11.4 HG13 ILE 80 - HA TYR 72 far 0 99 0 - 9.6-12.5 Violated in 20 structures by 1.48 A. Peak 11136 from aliabs.peaks (0.64, 4.54, 60.34 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HA TYR 72 OK 100 100 100 100 3.3-4.0 9091/3.0=87...(27) QD1 ILE 129 - HA TYR 72 far 0 93 0 - 8.9-9.8 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 = 0.75: QG2 ILE 37 + QD TYR 72 OK 68 68 100 100 1.8-2.8 3.0/10839=89...(47) QD1 LEU 49 + QD TYR 72 OK 20 100 30 67 5.0-8.9 10887/9143=23...(7) QD1 LEU 48 - QD TYR 72 far 5 100 5 - 6.3-7.8 QD2 LEU 48 - QD TYR 72 far 0 95 0 - 8.4-9.8 QG1 VAL 20 - QD TYR 72 far 0 100 0 - 9.2-21.8 QD2 LEU 123 - QD TYR 72 far 0 68 0 - 10.0-14.2 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 2.2-4.3 9091/2.7=92...(34) QD1 ILE 129 - QD TYR 72 far 0 97 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 11139 from aliabs.peaks (1.47, 4.54, 60.34 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.24: HG LEU 42 + HA TYR 72 OK 24 96 25 100 5.7-6.9 2.1/11136=78...(26) HG3 LYS 36 - HA TYR 72 far 5 90 5 - 5.4-9.3 Violated in 20 structures by 1.04 A. Peak 11140 from aliabs.peaks (4.32, 4.54, 60.34 ppm; 5.05 A): 3 out of 5 assignments used, quality = 0.95: HA TYR 76 + HA TYR 72 OK 81 96 95 89 5.3-6.0 10833/11134=65...(7) HA LEU 69 + HA TYR 72 OK 60 60 100 100 4.9-5.9 6973/2.9=57, 9531/3.4=50...(22) HA2 GLY 75 + HA TYR 72 OK 40 99 55 74 4.0-6.7 9604/10749=58...(7) HA LYS 24 - HA TYR 72 far 0 97 0 - 9.4-28.6 HA THR 25 - HA TYR 72 far 0 60 0 - 9.7-26.4 Violated in 1 structures by 0.00 A. Peak 11141 from aliabs.peaks (4.02, 4.54, 60.34 ppm; 5.36 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 37 + HA TYR 72 OK 100 100 100 100 4.0-6.2 1113/10749=88...(20) HA GLN 68 + HA TYR 72 OK 20 89 25 92 5.9-7.9 6972/2.9=51...(9) HB2 SER 38 - HA TYR 72 far 0 90 0 - 9.0-10.1 Violated in 4 structures by 0.02 A. Peak 11142 from aliabs.peaks (0.81, 4.38, 64.33 ppm; 4.67 A): 2 out of 12 assignments used, quality = 0.95: QG2 ILE 129 + HA CYS 73 OK 93 96 100 97 3.4-4.7 10457/11145=57...(22) QG1 VAL 133 + HA CYS 73 OK 22 65 45 75 4.9-7.1 11756/11145=27...(11) QD1 LEU 70 - HA CYS 73 poor 20 100 20 98 5.4-8.6 9490/3.0=68, ~11093=45...(14) QD2 LEU 119 - HA PRO 113 poor 17 35 50 - 3.3-7.3 HG13 ILE 80 - HA CYS 73 far 0 100 0 - 6.4-8.5 QD1 LEU 53 - HA PRO 113 far 0 40 0 - 7.5-12.1 QG2 ILE 80 - HA CYS 73 far 0 100 0 - 7.8-8.5 QD2 LEU 49 - HA CYS 73 far 0 92 0 - 8.5-11.2 QD1 LEU 122 - HA PRO 113 far 0 53 0 - 8.8-12.8 QD2 LEU 122 - HA CYS 73 far 0 68 0 - 9.3-13.8 QD1 LEU 122 - HA CYS 73 far 0 99 0 - 9.3-13.3 QG2 ILE 32 - HA CYS 73 far 0 65 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 11143 from aliabs.peaks (0.82, 2.74, 27.42 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + HB2 CYS 73 OK 100 100 100 100 2.5-4.1 11142/3.0=66...(21) QD1 LEU 70 + HB2 CYS 73 OK 94 99 95 100 4.3-7.8 ~11093=96, 3.8/2232=95...(14) QG1 VAL 133 + HB2 CYS 73 OK 68 83 90 91 5.2-8.4 10556/11816=43...(12) HG13 ILE 80 - HB2 CYS 73 far 5 99 5 - 7.5-10.2 QD2 LEU 49 - HB2 CYS 73 far 4 78 5 - 7.6-10.7 QD1 LEU 122 - HB2 CYS 73 far 0 95 0 - 7.8-12.2 QG2 ILE 80 - HB2 CYS 73 far 0 100 0 - 8.0-9.8 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 9 assignments used, quality = 1.00: QG2 ILE 129 + HB3 CYS 73 OK 99 100 100 99 2.8-4.5 11142/3.0=52, 11242=39...(22) QD1 LEU 70 + HB3 CYS 73 OK 64 99 65 100 2.9-7.4 9490/1.8=93...(15) QG1 VAL 133 - HB3 CYS 73 far 4 83 5 - 5.0-8.6 QD1 LEU 122 - HB3 CYS 73 far 0 95 0 - 7.1-12.1 QD2 LEU 49 - HB3 CYS 73 far 0 78 0 - 7.2-10.1 HG13 ILE 80 - HB3 CYS 73 far 0 99 0 - 8.1-10.8 QG2 ILE 80 - HB3 CYS 73 far 0 100 0 - 8.4-10.4 QG2 ILE 32 - HB3 CYS 73 far 0 83 0 - 9.6-15.5 QD1 LEU 53 - HB3 CYS 73 far 0 68 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 11145 from aliabs.peaks (7.41, 4.38, 64.33 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + HA CYS 73 OK 100 100 100 100 1.9-3.0 2.2/9538=79...(25) Violated in 0 structures by 0.00 A. Peak 11146 from aliabs.peaks (6.49, 4.38, 64.33 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 76 + HA CYS 73 OK 96 97 100 99 3.1-4.4 2.6/11137=59...(17) QE TYR 76 + HA CYS 73 OK 58 92 65 97 5.2-6.2 4.5/11137=44...(15) Violated in 0 structures by 0.00 A. Peak 11147 from aliabs.peaks (7.30, 2.74, 27.42 ppm; 6.48 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 89 + HB2 CYS 73 OK 100 100 100 100 2.3-4.3 9538/3.0=98, ~11145=78...(16) Violated in 0 structures by 0.00 A. Peak 11148 from aliabs.peaks (7.31, 3.31, 27.42 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.97: HZ PHE 89 + HB3 CYS 73 OK 97 97 100 100 2.8-5.7 9538/3.0=100...(15) HE ARG 90 - HB3 CYS 73 poor 19 76 25 - 4.0-10.4 Violated in 0 structures by 0.00 A. Peak 11150 from aliabs.peaks (1.38, 4.29, 61.45 ppm; 3.63 A): 1 out of 21 assignments used, quality = 0.56: HG3 LYS 26 + HA THR 25 OK 56 100 60 93 3.5-5.3 6253/582=62...(16) HG2 LYS 19 - HA THR 18 far 7 70 10 - 3.3-5.3 QB ALA 29 - HA THR 25 far 5 100 5 - 3.0-10.9 QB ALA 15 - HA THR 18 far 4 77 5 - 4.0-9.7 HG2 LYS 24 - HA THR 25 far 0 99 0 - 4.6-6.6 QB ALA 16 - HA THR 18 far 0 73 0 - 4.6-7.3 QB ALA 28 - HA THR 25 far 0 100 0 - 4.7-10.0 HG3 LYS 31 - HA THR 25 far 0 100 0 - 5.5-16.5 HG3 LYS 31 - HA THR 18 far 0 77 0 - 5.6-23.8 QB ALA 16 - HA SER 74 far 0 96 0 - 5.9-32.2 HG2 LYS 24 - HA THR 18 far 0 75 0 - 6.1-13.0 QB ALA 12 - HA THR 18 far 0 51 0 - 6.4-15.6 HG LEU 96 - HA SER 74 far 0 90 0 - 7.4-11.1 HG2 LYS 19 - HA SER 74 far 0 94 0 - 7.6-32.7 QB ALA 28 - HA THR 18 far 0 77 0 - 8.1-17.7 QB ALA 29 - HA THR 18 far 0 76 0 - 8.8-20.4 QB ALA 15 - HA SER 74 far 0 99 0 - 9.0-35.4 HB2 LEU 96 - HA SER 74 far 0 99 0 - 9.8-13.5 HG2 LYS 95 - HA PHE 87 far 0 28 0 - 9.8-13.1 QB ALA 16 - HA THR 25 far 0 98 0 - 9.9-18.5 HG2 LYS 36 - HA THR 25 far 0 100 0 - 9.9-21.7 Violated in 19 structures by 0.72 A. Peak 11151 from aliabs.peaks (1.76, 4.29, 61.45 ppm; 4.23 A): 3 out of 15 assignments used, quality = 0.93: HB2 LYS 24 + HA THR 25 OK 78 83 95 100 4.0-5.6 6232/3.0=62, ~6233=51...(19) HB2 LYS 26 + HA THR 25 OK 55 85 65 99 4.5-6.1 6250/582=79...(23) HG3 ARG 90 + HA SER 74 OK 23 63 55 67 4.2-8.7 9651/11188=52...(7) HB2 ARG 23 - HA THR 18 far 0 70 0 - 5.3-10.4 HB2 LYS 19 - HA THR 18 far 0 55 0 - 5.3-6.2 HB2 LYS 31 - HA THR 25 far 0 81 0 - 6.5-14.5 HB2 ARG 23 - HA THR 25 far 0 96 0 - 6.9-8.7 HG13 ILE 129 - HA SER 74 far 0 80 0 - 7.4-11.3 HB2 LYS 31 - HA THR 18 far 0 55 0 - 8.0-21.4 HB2 LYS 24 - HA THR 18 far 0 57 0 - 8.2-14.2 HB2 LYS 19 - HA SER 74 far 0 78 0 - 8.2-31.6 HB ILE 80 - HA SER 74 far 0 58 0 - 8.6-10.5 HB2 LEU 48 - HA THR 25 far 0 92 0 - 9.0-36.4 HG13 ILE 129 - HA PHE 87 far 0 20 0 - 9.2-12.8 HB2 LYS 19 - HA THR 25 far 0 81 0 - 9.8-17.2 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 4.7-5.4 9736=83, 9746/4.7=80...(22) QG2 VAL 93 - HA TYR 76 far 5 97 5 - 6.9-8.3 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 3.7-5.8 9736/3.0=98, 9746/4.5=96...(22) QG2 VAL 93 + HB2 TYR 76 OK 86 87 100 99 4.8-7.4 9923/11165=63...(14) QG2 VAL 93 - HB2 ASP 131 far 0 84 0 - 8.3-9.7 QD1 ILE 80 - HB2 ASP 131 far 0 98 0 - 8.5-9.5 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 4.5-6.9 11326/11167=67...(9) QD1 ILE 80 + HB3 TYR 76 OK 92 92 100 100 4.0-5.4 9736/3.0=85, 9746/4.5=82...(21) 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 3.1-5.0 10833=99, 9019/3.1=79...(21) QG1 VAL 20 - HA TYR 76 far 0 57 0 - 7.4-27.2 Violated in 4 structures by 0.04 A. Peak 11156 from aliabs.peaks (1.06, 4.31, 59.75 ppm; 5.98 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HA TYR 76 OK 100 100 100 100 4.5-5.0 7043/3.6=99, 9611/3.0=92...(23) QG2 VAL 133 - HA TYR 76 poor 18 90 20 - 6.6-8.0 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 = 0.97: QG1 VAL 133 + HB2 TYR 76 OK 92 100 95 97 4.5-6.5 10558/4.5=70...(12) QG2 ILE 129 + HB2 TYR 76 OK 53 96 65 85 4.3-6.9 9083/9617=42...(12) QG1 VAL 133 + HB2 ASP 131 OK 29 99 30 97 5.6-8.0 4245/11644=56...(13) HG13 ILE 80 - HB2 TYR 76 poor 18 73 25 - 4.9-9.0 QG2 ILE 129 - HB2 ASP 131 far 0 93 0 - 6.3-7.6 QG2 ILE 80 - HB2 TYR 76 far 0 81 0 - 6.7-8.3 QD1 LEU 70 - HB2 TYR 76 far 0 73 0 - 7.0-10.9 QD2 LEU 70 - HB2 TYR 76 far 0 81 0 - 8.0-10.2 QG2 ILE 32 - HB2 TYR 76 far 0 100 0 - 8.7-12.7 Violated in 7 structures by 0.06 A. Peak 11158 from aliabs.peaks (0.81, 3.13, 40.83 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + HB3 TYR 76 OK 98 98 100 100 4.5-6.7 10486/9096=92...(11) QG1 VAL 133 + HB3 TYR 76 OK 73 73 100 99 4.9-6.2 10558/4.5=59...(14) HG13 ILE 80 + HB3 TYR 76 OK 55 100 55 100 5.0-8.5 ~9736=82, ~11152=67...(13) QG2 ILE 80 + HB3 TYR 76 OK 45 100 45 100 7.1-8.1 9739/4.5=93, ~9736=71...(16) QD1 LEU 70 - HB3 TYR 76 poor 11 100 25 43 6.8-10.9 9490/2377=29...(3) QG2 ILE 32 - HB3 TYR 76 far 0 73 0 - 9.1-12.7 QD2 LEU 49 - HB3 TYR 76 far 0 87 0 - 9.9-12.8 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 - 9.9-13.0 Violated in 20 structures by 6.30 A. Peak 11160 from aliabs.peaks (4.39, 3.13, 40.83 ppm; 5.47 A): 1 out of 3 assignments used, quality = 0.97: HA CYS 73 + HB3 TYR 76 OK 97 97 100 100 1.9-3.7 9570/9092=76...(19) HA ASP 78 - HB3 TYR 76 far 0 100 0 - 7.4-8.4 HA ASP 71 - HB3 TYR 76 far 0 60 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 11161 from aliabs.peaks (1.13, 2.77, 40.78 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.92: QG2 VAL 132 + HB2 ASP 131 OK 92 92 100 100 4.0-4.4 10518/1.8=64...(21) QG1 VAL 132 - HB2 ASP 131 far 0 100 0 - 5.6-6.5 QG1 VAL 132 - HB2 TYR 76 far 0 99 0 - 6.8-10.4 HG2 LYS 39 - HB2 TYR 76 far 0 95 0 - 7.5-9.6 QG2 VAL 132 - HB2 TYR 76 far 0 89 0 - 7.8-10.5 HG2 LYS 39 - HB2 ASP 131 far 0 97 0 - 9.8-11.9 Violated in 20 structures by 0.21 A. Peak 11162 from aliabs.peaks (1.97, 6.48, 116.85 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 37 + QE TYR 76 OK 100 100 100 100 4.6-7.1 ~9019=98, ~9019=96...(11) HB3 PRO 81 + QE TYR 76 OK 37 78 70 67 6.2-9.0 11334/9739=29...(6) HB ILE 129 - QE TYR 76 poor 12 60 20 - 7.0-8.5 HB3 LYS 86 - QE TYR 76 far 4 89 5 - 7.4-9.3 HB3 ARG 90 - QE TYR 76 far 0 76 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 11163 from aliabs.peaks (1.69, 6.48, 116.85 ppm; 6.15 A): 3 out of 4 assignments used, quality = 0.99: HD2 LYS 39 + QE TYR 76 OK 93 93 100 100 4.9-6.1 3.6/9037=69...(13) HD3 LYS 39 + QE TYR 76 OK 80 81 100 100 4.4-6.1 3.6/9037=69...(10) HB2 LEU 43 + QE TYR 76 OK 28 97 35 84 5.4-8.1 3.2/11031=66...(7) HG2 ARG 135 - QE TYR 76 far 0 98 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 11164 from aliabs.peaks (7.33, 4.31, 59.75 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.64: HZ PHE 89 + HA TYR 76 OK 64 81 80 100 5.1-6.4 11139/3.0=80...(8) HE ARG 90 - HA TYR 76 far 0 96 0 - 9.0-10.7 Violated in 16 structures by 0.46 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 2.2-5.2 11139/7028=72...(13) HE ARG 90 - HB2 TYR 76 far 0 90 0 - 7.4-11.7 HZ PHE 89 - HB2 ASP 131 far 0 86 0 - 9.9-11.2 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 2.2-4.4 2.2/11167=69...(12) 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 2.8-4.4 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 2.7-4.4 10552/10555=90...(17) Violated in 0 structures by 0.00 A. Peak 11169 from aliabs.peaks (6.49, 1.19, 22.02 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.93: QD TYR 76 + QG2 VAL 77 OK 93 93 100 100 4.2-4.9 11145/2.1=53...(24) QE TYR 76 - QG2 VAL 77 far 10 97 10 - 5.2-6.1 Violated in 17 structures by 0.18 A. Peak 11170 from aliabs.peaks (6.47, 1.05, 19.58 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + QG1 VAL 77 OK 99 99 100 100 6.3-6.6 9746/9648=82, ~11169=80...(19) Violated in 20 structures by 0.48 A. Peak 11171 from aliabs.peaks (6.52, 1.05, 19.58 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 76 + QG1 VAL 77 OK 92 92 100 100 4.6-5.2 5.0/7043=79, 4.6/9611=68...(24) 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 2.0-4.7 11841=98, 11842/2.1=75...(18) QD PHE 87 - QG2 VAL 77 far 0 68 0 - 5.4-6.6 Violated in 1 structures by 0.03 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 2.4-4.4 11842=99, 9676/2.1=93...(17) QD PHE 87 - QG1 VAL 77 far 0 68 0 - 6.8-8.7 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 = 1.00: HE ARG 90 + HB VAL 77 OK 100 100 100 100 3.7-5.5 11841/2.1=97...(14) QD PHE 87 - HB VAL 77 far 0 85 0 - 8.4-9.7 Violated in 4 structures by 0.04 A. Peak 11175 from aliabs.peaks (6.51, 2.34, 31.42 ppm; 6.39 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + HB VAL 77 OK 100 100 100 100 4.1-4.8 5.0/7042=91...(23) QE TYR 76 + HB VAL 77 OK 60 60 100 100 6.1-6.8 ~11169=87, ~11145=77...(16) 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 10 assignments used, quality = 0.82: HB3 GLU 128 + HA ILE 129 OK 77 77 100 100 3.8-5.6 ~7864=72, ~4094=69...(21) HG2 GLU 91 + HA ILE 129 OK 20 83 40 61 5.9-7.0 9914/10478=48...(3) HB VAL 133 - HA VAL 77 poor 12 60 20 - 6.0-9.0 HB VAL 133 - HA ILE 129 poor 11 46 25 - 6.2-7.6 HB3 LEU 96 - HA ILE 129 far 0 57 0 - 6.5-8.2 HB3 GLN 127 - HA ILE 129 far 0 86 0 - 7.8-8.2 HB2 GLN 82 - HA VAL 77 far 0 97 0 - 8.9-10.7 HB2 PRO 81 - HA VAL 77 far 0 78 0 - 9.2-9.8 HG2 GLU 97 - HA ILE 129 far 0 57 0 - 9.5-12.9 HG2 GLU 91 - HA VAL 77 far 0 99 0 - 9.5-10.8 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: HD3 LYS 86 + HA VAL 77 OK 88 97 90 100 4.4-6.0 ~11180=61, ~11179=47...(41) HD2 LYS 86 + HA VAL 77 OK 84 99 85 100 4.3-6.5 11180/3.2=85...(40) QB ALA 88 + HA ILE 129 OK 75 86 90 96 4.9-6.1 11635/4.2=41...(10) HB2 LEU 69 - HA ILE 129 far 0 77 0 - 7.5-11.4 QB ALA 88 - HA VAL 77 far 0 100 0 - 7.6-8.8 HG LEU 43 - HA ILE 129 far 0 65 0 - 7.7-9.3 HD2 LYS 95 - HA ILE 129 far 0 82 0 - 8.7-11.9 HD3 LYS 95 - HA ILE 129 far 0 86 0 - 8.7-11.9 HG LEU 43 - HA VAL 77 far 0 83 0 - 9.7-11.3 HD3 LYS 19 - HA VAL 77 far 0 92 0 - 10.0-35.3 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 5 assignments used, quality = 1.00: HB ILE 80 + HB VAL 77 OK 100 100 100 100 4.9-5.8 ~9649=62, ~9649=60...(33) HG3 ARG 90 + HB VAL 77 OK 100 100 100 100 2.5-5.5 11303/2.1=94...(29) HG13 ILE 129 - HB VAL 77 far 5 97 5 - 5.9-9.9 HB3 LEU 70 - HB VAL 77 far 0 85 0 - 8.8-11.9 HB2 LEU 70 - HB VAL 77 far 0 63 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 11179 from aliabs.peaks (1.67, 2.34, 31.42 ppm; 5.32 A): 1 out of 7 assignments used, quality = 0.58: HD2 LYS 86 + HB VAL 77 OK 58 97 60 100 5.4-7.3 11180/2.1=97, ~11182=68...(39) HD3 LYS 86 - HB VAL 77 far 14 95 15 - 5.3-7.1 QB ALA 88 - HB VAL 77 far 0 100 0 - 7.3-9.4 HD3 LYS 19 - HB VAL 77 far 0 87 0 - 8.0-34.8 HB2 LEU 123 - HB2 PRO 117 far 0 31 0 - 9.3-11.1 HD2 LYS 19 - HB VAL 77 far 0 90 0 - 9.5-34.5 HB2 LEU 69 - HB VAL 77 far 0 90 0 - 9.7-13.1 Violated in 20 structures by 0.94 A. Peak 11180 from aliabs.peaks (1.66, 1.05, 19.58 ppm; 3.73 A): 1 out of 9 assignments used, quality = 0.55: HD2 LYS 86 + QG1 VAL 77 OK 55 100 55 100 3.1-5.6 3.0/9650=53...(37) HD3 LYS 86 - QG1 VAL 77 poor 20 99 20 - 3.4-5.9 HD3 LYS 19 - QG1 VAL 77 far 0 97 0 - 6.0-29.8 HD2 LYS 19 - QG1 VAL 77 far 0 98 0 - 7.4-29.0 QB ALA 88 - QG1 VAL 77 far 0 100 0 - 7.6-8.8 HD3 LYS 24 - QG1 VAL 77 far 0 99 0 - 9.1-30.2 HB2 LEU 69 - QG1 VAL 77 far 0 98 0 - 9.1-11.4 HD2 LYS 24 - QG1 VAL 77 far 0 100 0 - 9.5-30.7 HD2 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.8-13.4 Violated in 19 structures by 0.83 A. Peak 11181 from aliabs.peaks (1.67, 1.19, 22.02 ppm; 3.40 A): 2 out of 8 assignments used, quality = 0.99: HD2 LYS 86 + QG2 VAL 77 OK 93 93 100 100 3.1-4.2 11180/2.1=54...(35) HD3 LYS 86 + QG2 VAL 77 OK 89 89 100 100 2.4-4.2 3.0/11182=52...(34) QB ALA 88 - QG2 VAL 77 far 0 99 0 - 5.6-6.7 HD3 LYS 19 - QG2 VAL 77 far 0 78 0 - 8.3-30.7 HD2 LYS 95 - QG2 VAL 77 far 0 90 0 - 9.2-11.5 HD3 LYS 95 - QG2 VAL 77 far 0 97 0 - 9.3-11.9 HB2 LEU 69 - QG2 VAL 77 far 0 83 0 - 9.5-12.9 HD2 LYS 19 - QG2 VAL 77 far 0 83 0 - 9.6-30.3 Violated in 2 structures by 0.01 A. Peak 11182 from aliabs.peaks (1.45, 1.19, 22.02 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.78: HG3 LYS 86 + QG2 VAL 77 OK 78 78 100 100 1.9-4.0 3.0/9663=58...(28) QB ALA 92 - QG2 VAL 77 far 0 73 0 - 6.2-7.4 HG3 LYS 19 - QG2 VAL 77 far 0 90 0 - 8.4-30.9 Violated in 13 structures by 0.11 A. Peak 11183 from aliabs.peaks (1.38, 1.19, 22.02 ppm; 3.62 A): 0 out of 6 assignments used, quality = 0.00: QB ALA 16 - QG2 VAL 77 far 0 95 0 - 7.4-28.9 HB2 LEU 42 - QG2 VAL 77 far 0 100 0 - 8.8-9.9 HG2 LYS 95 - QG2 VAL 77 far 0 97 0 - 8.9-12.6 HB2 LEU 96 - QG2 VAL 77 far 0 100 0 - 9.2-11.8 HG2 LYS 19 - QG2 VAL 77 far 0 99 0 - 9.4-30.7 HG LEU 96 - QG2 VAL 77 far 0 85 0 - 9.5-11.0 Violated in 20 structures by 4.35 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 3.5-4.6 1.8/11741=83...(33) QB ALA 34 - QG1 VAL 77 far 0 81 0 - 5.7-10.8 QB ALA 16 - QG1 VAL 77 far 0 100 0 - 5.8-28.1 HG2 LYS 19 - QG1 VAL 77 far 0 76 0 - 6.9-28.6 HB2 LEU 42 - QG1 VAL 77 far 0 83 0 - 8.7-9.9 HG LEU 96 - QG1 VAL 77 far 0 100 0 - 8.9-11.0 QB ALA 15 - QG1 VAL 77 far 0 96 0 - 9.2-30.5 HB2 LEU 96 - QG1 VAL 77 far 0 95 0 - 9.4-12.4 HG2 LYS 24 - QG1 VAL 77 far 0 89 0 - 9.8-29.9 Violated in 0 structures by 0.00 A. Peak 11185 from aliabs.peaks (3.79, 1.05, 19.58 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.63: HA ARG 90 + QG1 VAL 77 OK 63 97 65 100 4.0-5.8 11192/2.1=84...(16) HA VAL 133 - QG1 VAL 77 far 0 83 0 - 8.1-9.5 HA GLU 97 - QG1 VAL 77 far 0 68 0 - 9.9-12.3 Violated in 18 structures by 0.70 A. Peak 11186 from aliabs.peaks (3.89, 1.05, 19.58 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.98: HA3 GLY 75 + QG1 VAL 77 OK 93 99 100 94 3.4-5.1 3.5/9611=49...(9) HA LYS 86 + QG1 VAL 77 OK 65 100 65 100 4.7-5.6 11193/2.1=84...(26) HA LEU 70 - QG1 VAL 77 far 0 100 0 - 6.6-8.5 HB2 SER 94 - QG1 VAL 77 far 0 95 0 - 6.9-9.0 Violated in 14 structures by 0.07 A. Peak 11187 from aliabs.peaks (4.07, 1.05, 19.58 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.37: HB3 SER 74 + QG1 VAL 77 OK 21 99 25 86 4.5-6.2 3.0/11188=69...(8) HB2 SER 74 + QG1 VAL 77 OK 21 96 25 86 4.2-6.1 3.0/11188=69...(8) HA PHE 89 - QG1 VAL 77 far 0 87 0 - 6.3-8.0 HA ALA 92 - QG1 VAL 77 far 0 95 0 - 9.3-11.0 Violated in 19 structures by 0.71 A. Peak 11188 from aliabs.peaks (4.29, 1.05, 19.58 ppm; 3.67 A): 1 out of 5 assignments used, quality = 0.96: HA SER 74 + QG1 VAL 77 OK 96 99 100 97 2.2-4.3 9592=75, 11195/2.1=27...(17) HA TYR 76 - QG1 VAL 77 far 9 95 10 - 4.5-5.0 HA PHE 87 - QG1 VAL 77 far 0 73 0 - 5.9-7.8 HA ALA 16 - QG1 VAL 77 far 0 87 0 - 7.0-34.4 HA LYS 19 - QG1 VAL 77 far 0 76 0 - 9.2-28.5 Violated in 9 structures by 0.14 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 2.9-3.4 9695=81, 2.9/7052=72...(22) HA CYS 73 - QG1 VAL 77 far 15 100 15 - 3.8-5.5 HA LEU 69 - QG1 VAL 77 far 0 73 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 11190 from aliabs.peaks (3.27, 1.19, 22.02 ppm; 4.14 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 93 - QG2 VAL 77 far 0 92 0 - 7.1-8.4 Violated in 20 structures by 3.56 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 2.0-4.6 2.7/9677=73, 4.5/9676=42...(24) HB2 PHE 89 + QG2 VAL 77 OK 65 65 100 100 2.0-4.6 2.7/9677=73, 4.5/9676=42...(24) HB3 TYR 72 - QG2 VAL 77 far 0 100 0 - 8.1-9.9 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 3 assignments used, quality = 0.96: HA ARG 90 + QG2 VAL 77 OK 96 97 100 100 3.3-4.5 11185/2.1=59...(16) HA VAL 133 - QG2 VAL 77 far 0 83 0 - 6.7-7.8 HA SER 130 - QG2 VAL 77 far 0 92 0 - 8.8-10.6 Violated in 12 structures by 0.14 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 2.0-3.0 9818=67, 3.0/9663=61...(26) HA3 GLY 75 - QG2 VAL 77 far 0 93 0 - 6.1-7.6 HD2 PRO 81 - QG2 VAL 77 far 0 65 0 - 6.1-7.7 HB2 SER 94 - QG2 VAL 77 far 0 83 0 - 6.7-8.2 HA LEU 70 - QG2 VAL 77 far 0 100 0 - 7.6-9.8 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: HD3 PRO 81 - QG2 VAL 77 far 0 100 0 - 6.1-7.8 HB2 SER 74 - QG2 VAL 77 far 0 89 0 - 6.2-8.1 HB3 SER 74 - QG2 VAL 77 far 0 81 0 - 6.7-8.4 HA ALA 92 - QG2 VAL 77 far 0 90 0 - 8.1-9.4 Violated in 20 structures by 1.32 A. Peak 11195 from aliabs.peaks (4.29, 1.19, 22.02 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.54: HA PHE 87 + QG2 VAL 77 OK 37 81 55 84 4.1-5.4 4.9/11193=36...(12) HA SER 74 + QG2 VAL 77 OK 27 100 30 89 4.2-6.3 11188/2.1=73...(10) HA TYR 76 - QG2 VAL 77 far 0 90 0 - 6.1-6.1 HA ALA 16 - QG2 VAL 77 far 0 92 0 - 9.0-35.1 Violated in 20 structures by 0.47 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 1.9-4.3 11875=98, 1.8/9660=71...(21) Violated in 1 structures by 0.02 A. Peak 11197 from aliabs.peaks (2.71, 1.19, 22.02 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.98: HB3 ASP 78 + QG2 VAL 77 OK 93 93 100 100 4.8-5.2 11206=90, 7056/7053=82...(22) HB2 ASN 85 + QG2 VAL 77 OK 45 83 60 90 5.5-7.0 9723/9649=68...(7) HB2 CYS 73 + QG2 VAL 77 OK 38 60 80 80 4.2-6.5 9959/9969=50, ~11155=18...(11) 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 4 assignments used, quality = 0.00: HG2 GLU 91 - QG2 VAL 77 far 5 97 5 - 6.3-8.0 HB VAL 133 - QG2 VAL 77 far 0 97 0 - 6.8-9.5 HB2 GLN 82 - QG2 VAL 77 far 0 99 0 - 7.6-9.4 HB2 PRO 81 - QG2 VAL 77 far 0 89 0 - 8.9-9.6 Violated in 20 structures by 0.82 A. Peak 11200 from aliabs.peaks (1.92, 1.19, 22.02 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.97: HB2 ARG 90 + QG2 VAL 77 OK 91 96 95 100 2.4-4.5 2.9/9662=57...(28) HB3 ARG 90 + QG2 VAL 77 OK 65 68 95 100 3.7-4.5 2.9/9662=57...(27) HB3 ARG 84 - QG2 VAL 77 far 0 81 0 - 8.5-9.7 HB3 PRO 81 - QG2 VAL 77 far 0 65 0 - 9.0-9.7 HB2 LYS 95 - QG2 VAL 77 far 0 96 0 - 9.8-11.3 Violated in 11 structures by 0.04 A. Peak 11201 from aliabs.peaks (3.07, 1.05, 19.58 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.89: HE2 LYS 86 + QG1 VAL 77 OK 89 99 90 100 1.9-6.6 11876=87, 11875/2.1=75...(20) Violated in 5 structures by 0.23 A. Peak 11202 from aliabs.peaks (3.33, 1.05, 19.58 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.69: HB3 PHE 89 + QG1 VAL 77 OK 59 99 60 100 4.2-7.1 2.7/9674=78, ~9677=58...(25) HB2 PHE 89 + QG1 VAL 77 OK 24 95 25 100 4.3-6.9 2.7/9674=78, ~9677=58...(27) HB3 CYS 73 - QG1 VAL 77 poor 14 81 25 72 4.9-6.8 3.0/11155=23...(11) HB3 TYR 72 - QG1 VAL 77 far 0 97 0 - 7.3-8.7 Violated in 11 structures by 0.25 A. Peak 11203 from aliabs.peaks (0.82, 1.19, 22.02 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.93: QG2 ILE 80 + QG2 VAL 77 OK 90 100 90 100 3.4-4.4 3.1/9649=56, 2.1/9663=35...(48) HG13 ILE 80 + QG2 VAL 77 OK 35 100 35 100 4.2-5.2 2.1/9649=72, ~9648=34...(42) QG2 ILE 129 - QG2 VAL 77 far 0 99 0 - 5.2-6.5 QG1 VAL 133 - QG2 VAL 77 far 0 76 0 - 5.2-7.4 QD1 LEU 70 - QG2 VAL 77 far 0 100 0 - 6.5-9.9 Violated in 19 structures by 0.31 A. Peak 11204 from aliabs.peaks (1.17, 4.38, 55.71 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 77 + HA ASP 78 OK 90 90 100 100 3.4-4.2 2.1/9695=85, 7053/2.9=69...(23) Violated in 0 structures by 0.00 A. Peak 11205 from aliabs.peaks (1.17, 2.50, 39.87 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.83: QG2 VAL 77 + HB2 ASP 78 OK 83 83 100 100 4.2-5.6 2.1/9692=100...(18) QG2 THR 25 - HB2 ASP 78 far 0 97 0 - 8.6-26.7 Violated in 0 structures by 0.00 A. Peak 11206 from aliabs.peaks (1.19, 2.72, 39.87 ppm; 4.86 A): 1 out of 9 assignments used, quality = 1.00: QG2 VAL 77 + HB3 ASP 78 OK 100 100 100 100 4.8-5.2 7053/7056=81...(23) QG2 THR 25 - HB3 ASP 35 far 3 51 5 - 3.5-20.4 QB ALA 41 - HB3 ASP 35 far 3 50 5 - 5.3-10.3 QG2 THR 25 - HB2 ASP 47 far 0 89 0 - 7.8-32.6 HG12 ILE 80 - HB3 ASP 78 far 0 76 0 - 7.8-9.6 QG2 THR 25 - HB3 ASP 78 far 0 97 0 - 8.6-27.9 QG2 THR 18 - HB3 ASP 35 far 0 36 0 - 8.7-24.2 QB ALA 41 - HB2 ASP 47 far 0 88 0 - 8.8-10.3 HG3 LYS 39 - HB2 ASP 47 far 0 58 0 - 9.8-12.4 Violated in 19 structures by 0.17 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 3 70 5 - 5.2-7.6 HG3 GLN 134 - HB2 ASP 47 far 0 78 0 - 7.8-13.4 HB VAL 126 - HB2 ASP 47 far 0 85 0 - 8.5-10.3 Violated in 20 structures by 2.00 A. Peak 11208 from aliabs.peaks (2.03, 2.72, 39.87 ppm; 4.77 A): 0 out of 11 assignments used, quality = 0.00: HB VAL 20 - HB3 ASP 35 far 1 26 5 - 3.8-28.7 HB2 GLU 44 - HB2 ASP 47 far 0 92 0 - 5.7-7.0 HG2 ARG 90 - HB3 ASP 78 far 0 99 0 - 7.4-8.7 HB VAL 20 - HB3 ASP 78 far 0 57 0 - 7.6-38.3 HB2 GLN 127 - HB2 ASP 47 far 0 78 0 - 7.7-11.7 HB ILE 129 - HB2 ASP 47 far 0 55 0 - 8.3-11.3 HB3 GLU 40 - HB3 ASP 35 far 0 53 0 - 8.4-16.6 HB3 GLU 40 - HB2 ASP 47 far 0 91 0 - 8.8-12.5 QE MET 11 - HB3 ASP 35 far 0 56 0 - 9.3-38.5 HB3 GLU 30 - HB3 ASP 35 far 0 40 0 - 9.6-13.7 HB2 GLN 134 - HB2 ASP 47 far 0 90 0 - 10.0-13.7 Violated in 19 structures by 1.03 A. Peak 11209 from aliabs.peaks (1.67, 2.72, 39.87 ppm; 4.95 A): 1 out of 17 assignments used, quality = 0.58: HD2 LYS 86 + HB3 ASP 78 OK 58 89 75 87 4.6-6.6 11180/9693=50...(6) HD3 LYS 86 - HB3 ASP 78 poor 16 83 25 77 4.4-7.2 11181/11206=31...(6) HD3 LYS 26 - HB3 ASP 35 far 3 51 5 - 3.6-19.4 HD2 LYS 36 - HB3 ASP 35 far 3 51 5 - 5.2-8.2 HD3 LYS 36 - HB3 ASP 35 far 3 50 5 - 5.1-8.2 HD2 LYS 26 - HB3 ASP 35 far 2 48 5 - 5.4-20.4 HD3 LYS 31 - HB3 ASP 35 far 0 47 0 - 6.6-12.7 HD2 LYS 31 - HB3 ASP 35 far 0 43 0 - 6.9-14.2 HD3 LYS 19 - HB3 ASP 35 far 0 33 0 - 7.7-27.5 HD3 LYS 24 - HB3 ASP 35 far 0 40 0 - 7.8-29.1 HD3 LYS 19 - HB3 ASP 78 far 0 71 0 - 8.2-35.8 HB2 LEU 69 - HB2 ASP 47 far 0 67 0 - 8.2-11.9 HD2 LYS 19 - HB3 ASP 35 far 0 36 0 - 8.7-26.5 HD2 LYS 39 - HB2 ASP 47 far 0 93 0 - 9.1-14.0 HD2 LYS 24 - HB3 ASP 35 far 0 50 0 - 9.4-29.9 HD2 LYS 19 - HB3 ASP 78 far 0 76 0 - 9.6-34.7 HD3 LYS 24 - HB3 ASP 78 far 0 83 0 - 9.8-39.4 Violated in 16 structures by 0.45 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 - 9.5-11.3 Violated in 20 structures by 5.63 A. Peak 11211 from aliabs.peaks (2.32, 4.38, 55.71 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.89: HB VAL 77 + HA ASP 78 OK 89 89 100 100 5.5-5.6 2.1/9695=98...(25) Violated in 20 structures by 0.32 A. Peak 11212 from aliabs.peaks (0.81, 2.60, 26.84 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + HB3 CYS 79 OK 100 100 100 100 5.9-6.0 2.1/11166=80...(20) HG13 ILE 80 + HB3 CYS 79 OK 25 100 25 100 3.9-7.5 11214/1.8=74...(17) QG1 VAL 133 - HB3 CYS 79 far 3 65 5 - 6.1-8.2 QG2 ILE 129 - HB3 CYS 79 far 0 96 0 - 8.0-9.1 QG2 ILE 32 - HB3 CYS 79 far 0 65 0 - 8.9-12.2 Violated in 15 structures by 0.40 A. Peak 11213 from aliabs.peaks (0.27, 2.60, 26.84 ppm; 5.80 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB3 CYS 79 OK 100 100 100 100 4.7-5.5 7077/4.4=84...(19) QG2 VAL 93 - HB3 CYS 79 far 0 87 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 11214 from aliabs.peaks (0.80, 1.83, 26.84 ppm; 4.98 A): 1 out of 3 assignments used, quality = 0.23: HG13 ILE 80 + HB2 CYS 79 OK 23 93 25 99 4.3-7.8 2.1/11215=56, ~11166=48...(19) QG2 ILE 80 - HB2 CYS 79 far 13 89 15 - 5.8-6.0 QG2 ILE 129 - HB2 CYS 79 far 0 68 0 - 8.9-10.0 Violated in 16 structures by 2.04 A. Peak 11215 from aliabs.peaks (0.27, 1.83, 26.84 ppm; 5.94 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 80 + HB2 CYS 79 OK 98 98 100 100 5.5-6.0 2.1/11214=95...(18) QG2 VAL 93 - HB2 CYS 79 far 0 93 0 - 9.7-10.8 Violated in 4 structures by 0.01 A. Peak 11216 from aliabs.peaks (1.48, 1.74, 38.30 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.99: HG3 LYS 86 + HB ILE 80 OK 99 99 100 100 2.2-4.7 1.8/9713=95, 9827/3.2=85...(40) HG LEU 42 - HB ILE 80 far 0 100 0 - 9.7-12.0 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 4.1-5.2 9721/3.2=88, 3.0/9729=82...(36) HB3 PRO 81 - HB ILE 80 far 0 100 0 - 6.8-7.3 HB3 ARG 90 - HB ILE 80 far 0 100 0 - 8.4-9.9 HB ILE 37 - HB ILE 80 far 0 85 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 11218 from aliabs.peaks (2.01, 4.12, 58.62 ppm; 4.16 A): 2 out of 9 assignments used, quality = 1.00: HG2 PRO 81 + HA ILE 80 OK 100 100 100 100 4.3-4.5 2.3/2478=78...(22) HB2 PRO 81 + HA ILE 80 OK 39 40 100 99 4.8-4.9 2.3/11784=70...(20) QE MET 11 - HA GLN 101 far 2 42 5 - 4.8-46.8 HB3 MET 11 - HA GLN 101 far 0 56 0 - 5.8-52.3 HB VAL 63 - HA GLN 101 far 0 49 0 - 6.6-9.4 HG2 PRO 81 - HA CYS 79 far 0 60 0 - 7.3-8.7 HG3 ARG 135 - HA ILE 80 far 0 73 0 - 8.4-12.0 HG2 ARG 90 - HA ILE 80 far 0 93 0 - 8.7-9.7 HG2 ARG 90 - HA CYS 79 far 0 51 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 11219 from aliabs.peaks (3.18, 0.27, 13.24 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.32: HD2 ARG 90 + QD1 ILE 80 OK 32 96 35 97 5.0-7.3 3.0/11226=65, 11934=53...(10) HD3 ARG 90 - QD1 ILE 80 far 5 92 5 - 4.9-7.1 HD2 ARG 84 - QD1 ILE 80 far 0 97 0 - 7.8-10.5 HD3 ARG 84 - QD1 ILE 80 far 0 97 0 - 8.2-10.8 Violated in 20 structures by 1.33 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 3.8-5.6 11878=100, 1.8/11221=82...(37) Violated in 3 structures by 0.09 A. Peak 11221 from aliabs.peaks (2.93, 0.27, 13.24 ppm; 4.83 A): 1 out of 6 assignments used, quality = 0.78: HE3 LYS 86 + QD1 ILE 80 OK 78 78 100 100 3.5-5.1 1.8/11220=78...(21) HE2 LYS 39 - QD1 ILE 80 far 0 100 0 - 6.3-9.2 HD2 ARG 135 - QD1 ILE 80 far 0 99 0 - 6.5-9.6 HE3 LYS 39 - QD1 ILE 80 far 0 100 0 - 7.0-9.8 HE2 LYS 19 - QD1 ILE 80 far 0 76 0 - 8.9-31.1 HB2 CYS 45 - QD1 ILE 80 far 0 100 0 - 9.8-11.4 Violated in 7 structures by 0.04 A. Peak 11222 from aliabs.peaks (2.81, 0.27, 13.24 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.98: HB3 ASN 85 + QD1 ILE 80 OK 98 98 100 100 2.7-4.2 1.8/9723=69...(18) Violated in 0 structures by 0.00 A. Peak 11223 from aliabs.peaks (2.21, 0.27, 13.24 ppm; 4.94 A): 1 out of 7 assignments used, quality = 0.73: HB VAL 133 + QD1 ILE 80 OK 73 73 100 100 3.3-5.7 2.1/10588=94...(23) HB2 GLN 82 - QD1 ILE 80 far 0 99 0 - 6.0-7.4 HB2 PRO 81 - QD1 ILE 80 far 0 81 0 - 6.6-7.6 HG2 GLU 91 - QD1 ILE 80 far 0 100 0 - 7.1-8.1 HB3 GLU 128 - QD1 ILE 80 far 0 87 0 - 7.8-10.6 HB3 LEU 96 - QD1 ILE 80 far 0 60 0 - 9.8-11.7 HG2 GLU 97 - QD1 ILE 80 far 0 60 0 - 9.9-13.0 Violated in 10 structures by 0.29 A. Peak 11224 from aliabs.peaks (1.67, 0.27, 13.24 ppm; 4.11 A): 2 out of 7 assignments used, quality = 0.83: HD2 LYS 86 + QD1 ILE 80 OK 76 95 80 100 4.1-5.9 3.0/9720=63...(48) HD3 LYS 86 + QD1 ILE 80 OK 32 90 35 100 4.3-5.5 3.0/9720=63...(50) QB ALA 88 - QD1 ILE 80 far 5 99 5 - 5.0-6.1 HG3 ARG 84 - QD1 ILE 80 far 0 60 0 - 6.9-9.7 HG LEU 43 - QD1 ILE 80 far 0 68 0 - 7.1-8.2 HD2 LYS 39 - QD1 ILE 80 far 0 97 0 - 7.8-9.3 HB2 LEU 69 - QD1 ILE 80 far 0 85 0 - 8.7-11.5 Violated in 12 structures by 0.13 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 2.9-4.7 1.8/9720=83...(37) HG LEU 42 - QD1 ILE 80 far 0 99 0 - 6.1-7.9 HG LEU 69 - QD1 ILE 80 far 0 76 0 - 8.3-10.9 Violated in 1 structures by 0.02 A. Peak 11226 from aliabs.peaks (2.05, 0.27, 13.24 ppm; 4.44 A): 1 out of 8 assignments used, quality = 0.55: HG2 ARG 90 + QD1 ILE 80 OK 55 60 100 91 4.4-4.9 3.0/11219=62...(10) HG3 PRO 81 - QD1 ILE 80 far 0 100 0 - 5.5-6.5 HB3 LYS 39 - QD1 ILE 80 far 0 65 0 - 5.9-8.2 HG3 ARG 135 - QD1 ILE 80 far 0 85 0 - 5.9-8.9 HB2 PRO 81 - QD1 ILE 80 far 0 72 0 - 6.6-7.6 HB3 GLU 91 - QD1 ILE 80 far 0 85 0 - 7.8-9.7 HG3 GLN 134 - QD1 ILE 80 far 0 71 0 - 7.8-8.9 HB2 GLU 128 - QD1 ILE 80 far 0 60 0 - 8.5-10.6 Violated in 18 structures by 0.23 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 2.7-4.7 9725/2.1=99, 9728/1.8=73...(37) HA VAL 126 + QD2 LEU 49 OK 52 61 85 100 4.2-6.9 3.2/11676=86, ~11682=52...(14) HA ILE 129 - HG13 ILE 80 far 0 90 0 - 7.7-9.0 HA ILE 129 - QD2 LEU 49 far 0 50 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. Peak 11229 from aliabs.peaks (3.88, 0.81, 27.07 ppm; 4.98 A): 3 out of 8 assignments used, quality = 1.00: HA LYS 86 + HG13 ILE 80 OK 100 100 100 100 2.4-5.0 9727/2.1=98, 9729/3.0=70...(37) HA ALA 46 + QD2 LEU 49 OK 58 58 100 100 2.0-5.1 10951=71, 10899/3.2=70...(20) HB3 SER 50 + QD2 LEU 49 OK 20 60 35 97 5.1-7.3 11338/3.2=61...(22) HA LEU 70 - QD2 LEU 49 far 0 61 0 - 6.1-8.2 HA3 GLY 75 - HG13 ILE 80 far 0 98 0 - 8.2-11.8 HB2 SER 60 - QD2 LEU 49 far 0 38 0 - 8.7-11.9 HB3 SER 60 - QD2 LEU 49 far 0 38 0 - 9.2-12.0 HA2 GLY 114 - QD2 LEU 49 far 0 61 0 - 9.6-16.7 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 99 2.3-3.7 9727/3.1=41, 3.0/9821=36...(33) HD2 PRO 81 + QG2 ILE 80 OK 70 71 100 98 1.9-3.8 4.0=52, 3.0/11281=25...(29) HA LEU 70 - QG2 ILE 129 far 0 87 0 - 4.7-6.4 HA ALA 46 - QG2 ILE 129 far 0 76 0 - 5.4-6.3 HA LYS 86 - QG2 ILE 129 far 0 82 0 - 6.3-7.2 HD2 PRO 81 - QG2 ILE 129 far 0 56 0 - 7.3-9.8 HB2 SER 94 - QG2 ILE 129 far 0 62 0 - 7.6-9.1 HA3 GLY 75 - QG2 ILE 129 far 0 74 0 - 8.2-9.7 HA LEU 123 - QG2 ILE 129 far 0 53 0 - 8.5-9.8 HB3 SER 50 - QG2 ILE 129 far 0 87 0 - 8.7-11.6 HA3 GLY 75 - QG2 ILE 80 far 0 90 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 11231 from aliabs.peaks (3.77, 0.81, 17.00 ppm; 3.97 A): 2 out of 11 assignments used, quality = 0.95: HA SER 130 + QG2 ILE 129 OK 87 87 100 100 3.1-4.1 2.9/4143=57, ~7883=36...(27) HA VAL 133 + QG2 ILE 80 OK 64 99 65 99 3.5-5.4 9726/3.1=59...(32) HB3 SER 130 - QG2 ILE 129 poor 17 87 20 - 4.4-5.4 HA LEU 43 - QG2 ILE 129 far 13 88 15 - 4.8-5.9 HA ARG 90 - QG2 ILE 129 poor 12 60 20 - 4.8-5.7 HA VAL 133 - QG2 ILE 129 far 8 84 10 - 4.6-6.5 HA SER 130 - QG2 ILE 80 far 0 100 0 - 7.7-9.9 HA GLU 97 - QG2 ILE 129 far 0 77 0 - 7.9-9.4 HA ARG 90 - QG2 ILE 80 far 0 76 0 - 8.0-8.9 HB2 SER 99 - QG2 ILE 129 far 0 76 0 - 9.7-11.8 HA LEU 43 - QG2 ILE 80 far 0 100 0 - 9.8-11.8 Violated in 1 structures by 0.00 A. Peak 11232 from aliabs.peaks (3.77, 0.82, 16.85 ppm; 4.06 A): 4 out of 10 assignments used, quality = 1.00: HA SER 130 + QG2 ILE 129 OK 99 99 100 100 3.1-4.1 2.9/4143=67, ~7883=38...(26) HA VAL 133 + QG2 ILE 80 OK 65 88 75 99 3.5-5.4 9726/3.1=51...(32) HA THR 83 + QG2 ILE 80 OK 37 53 100 70 2.6-4.1 7129/9753=24...(11) HB3 SER 130 + QG2 ILE 129 OK 34 100 35 97 4.4-5.4 3.9/4143=52...(11) HA LEU 43 - QG2 ILE 129 far 15 97 15 - 4.8-5.9 HA VAL 133 - QG2 ILE 129 far 10 100 10 - 4.6-6.5 HA SER 130 - QG2 ILE 80 far 0 86 0 - 7.7-9.9 HA GLU 97 - QG2 ILE 129 far 0 100 0 - 7.9-9.4 HB2 SER 99 - QG2 ILE 129 far 0 99 0 - 9.7-11.8 HA LEU 43 - QG2 ILE 80 far 0 82 0 - 9.8-11.8 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 = 0.90: HA PHE 89 + QD1 ILE 80 OK 78 78 100 100 3.9-4.6 3.1/9747=71, 2.9/9869=55...(25) HD3 PRO 81 + QD1 ILE 80 OK 52 65 80 100 3.6-5.8 3.8/2472=62, 4.8/7077=47...(32) HB2 SER 74 - QD1 ILE 80 far 0 99 0 - 8.0-9.7 HB3 SER 74 - QD1 ILE 80 far 0 100 0 - 8.2-9.4 HA ALA 92 - QD1 ILE 80 far 0 98 0 - 9.0-9.9 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 4 assignments used, quality = 0.97: HB3 ASN 85 + QG2 ILE 80 OK 97 98 100 99 1.9-3.9 1.8/11237=72, 9793=29...(21) HB3 ASN 85 - QG2 ILE 129 far 0 83 0 - 6.2-7.9 HB3 ASP 47 - QG2 ILE 129 far 0 86 0 - 8.3-9.8 HB3 ASP 71 - QG2 ILE 129 far 0 64 0 - 8.4-10.6 Violated in 9 structures by 0.10 A. Peak 11237 from aliabs.peaks (2.69, 0.81, 17.00 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.98: HB2 ASN 85 + QG2 ILE 80 OK 98 100 100 98 1.9-4.2 1.8/11236=70, 9791=31...(22) HB2 ASN 85 - QG2 ILE 129 far 0 86 0 - 6.2-8.6 HB3 ASP 78 - QG2 ILE 80 far 0 60 0 - 6.8-8.1 HB2 ASP 47 - QG2 ILE 129 far 0 62 0 - 8.5-10.7 Violated in 7 structures by 0.14 A. Peak 11239 from aliabs.peaks (2.33, 0.81, 17.00 ppm; 4.49 A): 1 out of 9 assignments used, quality = 0.35: HG2 GLU 128 + QG2 ILE 129 OK 35 79 45 99 4.9-6.9 11399/9946=54...(19) HB VAL 77 - QG2 ILE 129 far 12 80 15 - 5.3-6.3 HB VAL 77 - QG2 ILE 80 far 0 96 0 - 5.8-6.7 HB3 GLN 134 - QG2 ILE 129 far 0 88 0 - 6.5-9.0 HG3 GLN 68 - QG2 ILE 129 far 0 83 0 - 7.2-10.2 HG2 GLN 127 - QG2 ILE 129 far 0 76 0 - 7.6-9.0 HB3 GLN 134 - QG2 ILE 80 far 0 100 0 - 8.2-9.9 HG2 GLU 128 - QG2 ILE 80 far 0 95 0 - 9.3-13.1 HG2 GLU 44 - QG2 ILE 129 far 0 80 0 - 9.9-11.1 Violated in 20 structures by 1.10 A. Peak 11240 from aliabs.peaks (1.95, 0.81, 17.00 ppm; 3.54 A): 2 out of 9 assignments used, quality = 0.99: HB3 LYS 86 + QG2 ILE 80 OK 97 97 100 100 2.5-4.2 1.8/9821=55, 9721/3.1=41...(41) HB3 PRO 81 + QG2 ILE 80 OK 69 100 70 99 4.2-4.7 4.1/9742=35...(32) HB3 ARG 90 - QG2 ILE 129 far 0 87 0 - 6.8-7.9 HB2 LYS 95 - QG2 ILE 129 far 0 82 0 - 7.3-8.8 HB3 ARG 90 - QG2 ILE 80 far 0 100 0 - 7.8-9.5 HB3 LYS 95 - QG2 ILE 129 far 0 85 0 - 8.3-10.0 HB ILE 37 - QG2 ILE 129 far 0 62 0 - 8.5-10.0 HB3 LYS 86 - QG2 ILE 129 far 0 82 0 - 8.8-9.6 HB ILE 37 - QG2 ILE 80 far 0 78 0 - 9.0-11.1 Violated in 6 structures by 0.04 A. Peak 11241 from aliabs.peaks (1.66, 0.81, 17.00 ppm; 3.48 A): 2 out of 15 assignments used, quality = 1.00: HD2 LYS 86 + QG2 ILE 80 OK 95 100 95 100 2.9-4.7 3.0/11877=38...(44) HD3 LYS 86 + QG2 ILE 80 OK 94 100 95 100 3.6-4.5 3.0/11877=38...(46) HB2 LEU 69 - QG2 ILE 129 far 8 84 10 - 4.1-7.4 HG2 ARG 84 - QG2 ILE 80 far 0 81 0 - 5.0-7.7 HG LEU 43 - QG2 ILE 129 far 0 76 0 - 5.0-7.0 QB ALA 88 - QG2 ILE 129 far 0 86 0 - 5.4-6.6 QB ALA 88 - QG2 ILE 80 far 0 100 0 - 5.5-6.5 HG3 ARG 84 - QG2 ILE 80 far 0 87 0 - 5.8-7.7 HD2 LYS 95 - QG2 ILE 129 far 0 87 0 - 7.8-10.6 HG LEU 43 - QG2 ILE 80 far 0 92 0 - 7.9-10.3 HD2 LYS 39 - QG2 ILE 129 far 0 64 0 - 7.9-10.2 HD3 LYS 95 - QG2 ILE 129 far 0 88 0 - 8.0-11.0 HD2 LYS 39 - QG2 ILE 80 far 0 81 0 - 8.0-9.8 HD2 LYS 86 - QG2 ILE 129 far 0 87 0 - 9.3-10.5 HD3 LYS 86 - QG2 ILE 129 far 0 86 0 - 9.6-10.8 Violated in 8 structures by 0.07 A. Peak 11242 from aliabs.peaks (3.31, 0.81, 17.00 ppm; 3.95 A): 3 out of 4 assignments used, quality = 0.97: HB3 CYS 73 + QG2 ILE 129 OK 78 87 100 90 2.8-4.5 3.0/11142=32, 11144=26...(22) HB2 PHE 89 + QG2 ILE 80 OK 71 97 75 98 4.0-5.5 9724/3.1=30, ~9747=28...(31) HB2 PHE 89 + QG2 ILE 129 OK 51 82 65 95 4.2-5.2 4.5/10457=37...(23) HB3 CYS 73 - QG2 ILE 80 far 0 100 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 11243 from aliabs.peaks (3.06, 0.81, 17.00 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: HE2 LYS 86 + QG2 ILE 80 OK 100 100 100 100 2.1-5.3 11877=100, 2694/9821=56...(33) HE2 LYS 86 - QG2 ILE 129 far 0 87 0 - 8.2-10.1 Violated in 13 structures by 0.25 A. Peak 11244 from aliabs.peaks (3.18, 0.81, 17.00 ppm; 4.55 A): 0 out of 7 assignments used, quality = 0.00: HD3 ARG 90 - QG2 ILE 129 far 4 70 5 - 5.2-8.9 HB3 CYS 125 - QG2 ILE 129 far 0 67 0 - 6.0-8.2 HD2 ARG 90 - QG2 ILE 80 far 0 92 0 - 6.1-9.0 HD2 ARG 90 - QG2 ILE 129 far 0 76 0 - 6.4-8.9 HD3 ARG 84 - QG2 ILE 80 far 0 99 0 - 6.5-8.4 HD2 ARG 84 - QG2 ILE 80 far 0 99 0 - 6.5-8.7 HD3 ARG 90 - QG2 ILE 80 far 0 87 0 - 7.4-9.0 Violated in 20 structures by 0.91 A. Peak 11245 from aliabs.peaks (1.33, 0.82, 16.85 ppm; 3.65 A): 1 out of 5 assignments used, quality = 0.92: QB ALA 46 + QG2 ILE 129 OK 92 98 100 93 3.4-4.2 9177/10486=50...(13) QB ALA 21 - QG2 ILE 32 far 0 45 0 - 6.4-16.5 QB ALA 12 - QG2 ILE 32 far 0 27 0 - 7.7-25.1 QB ALA 46 - QG2 ILE 80 far 0 83 0 - 9.3-10.8 QB ALA 46 - QG2 ILE 32 far 0 52 0 - 9.7-14.9 Violated in 18 structures by 0.27 A. Peak 11246 from aliabs.peaks (2.68, 1.74, 38.30 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.95: HB2 ASN 85 + HB ILE 80 OK 95 95 100 100 4.3-6.2 11173/2.1=99, ~11236=91...(14) Violated in 4 structures by 0.05 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 3.0-5.0 10590/2.1=100, ~10588=88...(21) HA THR 83 + HG12 ILE 80 OK 24 63 100 38 6.2-7.6 11232/3.2=16, ~2454=14...(4) HA SER 130 - HG12 ILE 80 poor 6 100 25 25 7.2-9.7 11862/2462=13, 9624/9744=11 HA LEU 43 - HG12 ILE 80 far 0 99 0 - 9.3-11.5 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 1.8-4.6 2478/4.1=85, 4.8/7075=77...(27) 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 9 assignments used, quality = 0.88: H LEU 49 + QD2 LEU 49 OK 59 59 100 100 2.9-4.3 5.0=100 H LEU 69 + QD2 LEU 49 OK 57 58 100 99 3.8-5.5 3.6/11250=75...(16) H VAL 126 + QD2 LEU 49 OK 31 31 100 98 4.0-6.3 4.0/11676=89...(13) H TYR 72 - QD2 LEU 49 far 0 52 0 - 7.2-9.4 H GLU 44 - QD2 LEU 49 far 0 36 0 - 7.4-10.0 H SER 99 - QD2 LEU 49 far 0 50 0 - 7.8-9.5 H LEU 43 - QD2 LEU 49 far 0 44 0 - 7.8-10.7 H LEU 43 - HG13 ILE 80 far 0 83 0 - 8.6-11.7 H GLU 40 - HG13 ILE 80 far 0 83 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 11250 from aliabs.peaks (8.47, 0.81, 27.07 ppm; 5.34 A): 1 out of 6 assignments used, quality = 0.45: H LEU 70 + QD2 LEU 49 OK 45 58 90 86 5.0-6.6 6941/11034=28...(12) H ASP 47 - QD2 LEU 49 poor 18 51 35 - 4.6-6.9 H LEU 100 - QD2 LEU 49 far 3 51 5 - 6.2-8.0 H GLU 97 - QD2 LEU 49 far 0 38 0 - 6.9-9.7 H VAL 132 - HG13 ILE 80 far 0 100 0 - 7.4-9.6 H VAL 132 - QD2 LEU 49 far 0 61 0 - 9.9-12.9 Violated in 17 structures by 0.37 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 4.2-5.4 3.0/9726=92...(19) H GLU 91 - QD1 ILE 80 far 3 68 5 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 11252 from aliabs.peaks (8.45, 0.27, 13.24 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.73: H VAL 132 + QD1 ILE 80 OK 73 81 90 100 5.8-6.7 4.0/11738=89...(9) H VAL 93 - QD1 ILE 80 far 0 92 0 - 6.7-7.8 Violated in 20 structures by 0.63 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 - 9.8-11.4 Violated in 20 structures by 5.28 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: HG13 ILE 80 + HD3 PRO 81 OK 100 100 100 100 2.3-5.0 2.1/11178=50, ~11248=38...(30) QG2 ILE 80 + HD3 PRO 81 OK 99 99 100 100 2.0-3.8 4.0=100 QG1 VAL 133 + HD3 PRO 81 OK 37 57 70 91 2.2-9.0 ~11757=52, 10574/2.3=32...(12) QG2 ILE 129 - HD3 PRO 81 far 0 92 0 - 7.7-10.6 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 - 8.0-11.0 Violated in 20 structures by 3.81 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 2.4-4.9 4.1/2478=70...(32) QG2 ILE 80 + HD2 PRO 81 OK 98 98 100 100 1.9-3.8 4.0=100 QD2 LEU 119 - HD2 PRO 117 far 8 84 10 - 5.1-8.0 QD1 LEU 103 - HD2 PRO 117 far 0 66 0 - 6.0-10.4 QG2 ILE 129 - HD2 PRO 81 far 0 87 0 - 7.3-9.8 QD2 LEU 122 - HD2 PRO 117 far 0 78 0 - 8.3-11.6 QD1 LEU 122 - HD2 PRO 117 far 0 98 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 11257 from aliabs.peaks (3.85, 2.25, 32.41 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.52: * HD2 PRO 81 + HB2 PRO 81 OK 52 52 100 100 3.0-3.9 3.0=100 HA GLU 40 - HB2 PRO 81 far 0 36 0 - 9.6-17.0 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 2 assignments used, quality = 0.51: HG2 PRO 81 + HB2 PRO 81 OK 51 51 100 100 2.3-3.0 2.3=100 HB2 GLN 134 - HB2 PRO 81 far 0 39 0 - 8.6-15.4 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 4 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 HB2 GLN 134 - HB2 PRO 81 far 0 51 0 - 8.6-15.4 HG3 ARG 135 - HB2 PRO 81 far 0 49 0 - 8.9-13.0 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 2 assignments used, quality = 0.99: HG2 PRO 81 + HA PRO 81 OK 99 100 100 99 3.9-4.0 3.8=96, 11914/3.6=42...(4) HB2 PRO 81 + HA PRO 81 OK 38 38 100 100 2.3-2.3 2.3=100 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 2 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 Violated in 0 structures by 0.00 A. Peak 11264 from aliabs.peaks (4.04, 2.25, 32.41 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.52: HD3 PRO 81 + HB2 PRO 81 OK 52 52 100 100 3.0-3.9 3.0=100 HA ARG 135 - HB2 PRO 81 far 0 34 0 - 8.6-13.6 Violated in 0 structures by 0.00 A. Peak 11265 from aliabs.peaks (4.13, 2.25, 32.41 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.48: HA ILE 80 + HB2 PRO 81 OK 48 48 100 100 4.8-4.9 11784/2.3=80...(22) HA CYS 79 - HB2 PRO 81 far 0 25 0 - 6.5-7.9 HB THR 83 - HB2 PRO 81 far 0 41 0 - 9.4-10.3 Violated in 20 structures by 0.29 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 - 6.0-13.2 HA TYR 76 - HB2 PRO 81 far 0 33 0 - 9.7-10.8 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 3.6-4.1 3.6=100 HA LYS 86 - HA PRO 81 far 0 60 0 - 8.1-9.3 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 3.6-4.1 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 16 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 - 4.0-5.4 HG2 GLN 61 - HB2 PRO 58 far 0 42 0 - 4.4-7.2 HB3 LEU 96 - HB3 LYS 95 far 0 71 0 - 4.7-5.6 HG2 GLU 97 - HB2 LYS 95 far 0 67 0 - 5.6-9.2 HG2 GLU 97 - HB3 LYS 95 far 0 71 0 - 5.9-9.3 HB3 GLU 128 - HB2 LYS 95 far 0 53 0 - 6.6-8.8 HB3 GLU 128 - HB3 LYS 95 far 0 56 0 - 7.5-9.4 HB VAL 132 - HB3 LYS 86 far 0 45 0 - 7.8-8.9 HB3 PRO 113 - HB2 PRO 58 far 0 57 0 - 8.7-15.6 HB3 GLN 104 - HB2 PRO 58 far 0 48 0 - 8.9-11.3 HB VAL 132 - HB3 PRO 81 far 0 55 0 - 9.1-13.1 HB2 PRO 81 - HB3 LYS 86 far 0 40 0 - 9.1-10.9 HB3 GLN 127 - HB2 LYS 95 far 0 37 0 - 9.3-11.9 HB3 GLN 127 - HB3 LYS 95 far 0 40 0 - 9.7-12.1 HB3 GLU 102 - HB3 LYS 95 far 0 51 0 - 9.8-13.5 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 - 7.2-9.7 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 2 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 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 11274 from aliabs.peaks (1.95, 1.94, 32.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 PRO 81 + HB3 PRO 81 OK 97 97 - 100 HB2 PRO 58 + HB2 PRO 58 OK 84 84 - 100 HB3 LYS 86 + HB3 LYS 86 OK 82 82 - 100 HB3 LYS 95 + HB3 LYS 95 OK 69 69 - 100 HB2 LYS 95 + HB2 LYS 95 OK 61 61 - 100 Reference assignment not found: HB3 PRO 81 - HB2 PRO 81 Peak 11275 from aliabs.peaks (2.02, 1.94, 32.41 ppm; 4.74 A): 5 out of 20 assignments used, quality = 1.00: 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 HG2 ARG 90 + HB3 LYS 86 OK 49 85 65 89 4.7-6.9 9662/9823=45, 2817=23...(12) HB2 PRO 81 + HB3 PRO 81 OK 47 47 100 100 1.8-1.8 1.8=100 HB3 GLU 91 - HB2 LYS 95 far 3 67 5 - 5.6-7.7 HB VAL 63 - HB2 PRO 58 far 0 83 0 - 6.8-7.8 HB3 GLU 91 - HB3 LYS 95 far 0 71 0 - 7.0-8.9 HG3 PRO 81 - HB3 LYS 86 far 0 54 0 - 7.6-10.4 HG3 ARG 135 - HB3 PRO 81 far 0 94 0 - 8.0-12.5 HG2 PRO 81 - HB3 LYS 86 far 0 68 0 - 8.1-9.9 HB3 GLU 91 - HB3 LYS 86 far 0 82 0 - 8.3-10.6 HB2 GLN 134 - HB3 PRO 81 far 0 96 0 - 8.4-15.3 HG3 ARG 135 - HB3 LYS 86 far 0 82 0 - 8.4-11.6 HB ILE 129 - HB2 LYS 95 far 0 47 0 - 8.6-9.8 HB3 PRO 56 - HB2 PRO 58 far 0 55 0 - 8.8-9.5 QE MET 11 - HB2 PRO 58 far 0 83 0 - 9.0-42.0 HB2 PRO 81 - HB3 LYS 86 far 0 38 0 - 9.1-10.9 HB ILE 129 - HB3 LYS 95 far 0 51 0 - 9.6-10.9 HG2 ARG 90 - HB2 LYS 95 far 0 70 0 - 9.7-11.3 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 8 assignments used, quality = 0.96: HD2 PRO 81 + HB3 PRO 81 OK 89 89 100 100 3.9-4.0 3.0=100 HA LYS 86 + HB3 LYS 86 OK 60 60 100 100 2.9-3.0 3.0=100 HD2 PRO 81 - HB3 LYS 86 far 0 76 0 - 7.1-9.1 HA LYS 86 - HB3 PRO 81 far 0 72 0 - 8.7-10.0 HA2 GLY 114 - HB2 PRO 58 far 0 69 0 - 9.0-17.1 HA LEU 70 - HB2 LYS 95 far 0 57 0 - 9.2-10.6 HA LEU 123 - HB3 LYS 95 far 0 64 0 - 9.4-11.1 HA LEU 123 - HB2 LYS 95 far 0 60 0 - 9.6-11.5 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 15 assignments used, quality = 1.00: HD3 PRO 81 + HB3 PRO 81 OK 97 97 100 100 3.9-4.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 63 63 100 100 2.3-2.7 3.0=100 HA ALA 92 + HB3 LYS 95 OK 63 63 100 100 3.8-4.8 ~9948=70, 2894/4.0=50...(17) HA LEU 96 + HB3 LYS 95 OK 62 64 100 96 4.0-4.9 2.9/7317=36, ~7316=26...(28) HA LYS 95 + HB2 LYS 95 OK 59 59 100 100 3.0-3.0 3.0=100 HA ALA 92 + HB2 LYS 95 OK 59 59 100 100 2.5-3.6 2.1/9948=80, 2894/4.0=50...(19) HA LEU 96 + HB2 LYS 95 OK 57 60 100 95 4.0-4.8 2.9/7317=36, ~7317=26...(27) HA SER 60 + HB2 PRO 58 OK 41 42 100 99 4.8-5.1 ~10975=54, 2.8/9332=53...(14) HA LEU 122 - HB3 LYS 95 poor 9 74 30 41 5.1-7.2 3994/11658=15...(5) HA LEU 122 - HB2 LYS 95 far 0 70 0 - 5.9-7.9 HD3 PRO 81 - HB3 LYS 86 far 0 85 0 - 6.6-9.4 HA ARG 135 - HB3 PRO 81 far 0 72 0 - 7.8-12.9 HB3 SER 124 - HB3 LYS 95 far 0 41 0 - 8.0-9.7 HB3 SER 124 - HB2 LYS 95 far 0 38 0 - 8.3-10.6 HB THR 65 - HB2 PRO 58 far 0 53 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 11278 from aliabs.peaks (4.14, 1.94, 32.41 ppm; 4.45 A): 1 out of 6 assignments used, quality = 0.77: HB THR 83 + HB3 LYS 86 OK 77 81 95 100 4.5-5.4 2.1/9760=79, ~11312=62...(16) HA ILE 80 - HB3 PRO 81 far 0 81 0 - 5.4-5.6 HA ILE 80 - HB3 LYS 86 far 0 68 0 - 6.5-7.8 HB THR 83 - HB3 PRO 81 far 0 94 0 - 8.3-9.2 HA3 GLY 114 - HB2 PRO 58 far 0 65 0 - 9.8-17.6 HA ALA 52 - HB2 PRO 58 far 0 77 0 - 10.0-10.8 Violated in 20 structures by 0.53 A. Peak 11279 from aliabs.peaks (4.34, 1.94, 32.41 ppm; 3.28 A): 1 out of 8 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 3 59 5 - 4.1-5.9 HA CYS 125 - HB3 LYS 95 far 0 63 0 - 4.5-5.8 HA ASN 59 - HB2 PRO 58 far 0 81 0 - 4.6-5.1 HA GLN 134 - HB3 PRO 81 far 0 90 0 - 5.8-13.2 HA PRO 81 - HB3 LYS 86 far 0 75 0 - 7.2-9.7 HA PRO 113 - HB2 PRO 58 far 0 55 0 - 7.4-13.4 HA LYS 24 - HB2 PRO 58 far 0 76 0 - 8.4-43.4 Violated in 0 structures by 0.00 A. Peak 11280 from aliabs.peaks (0.82, 4.33, 40.66 ppm; 5.21 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 80 + HA PRO 81 OK 100 100 100 100 3.7-4.2 9742/3.6=79...(14) HG13 ILE 80 + HA PRO 81 OK 35 100 35 100 5.8-6.9 3.2/11909=46, ~11281=45...(22) QG1 VAL 133 - HA PRO 81 poor 19 76 25 - 5.1-11.2 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 4.6-5.0 3.2/11265=74...(31) QG1 VAL 133 - HB2 PRO 81 poor 15 33 45 - 3.9-11.3 HG13 ILE 80 - HB2 PRO 81 far 0 51 0 - 6.0-7.6 Violated in 0 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 3.1-4.6 11281/2.3=68, ~2478=48...(27) HG13 ILE 80 + HG3 PRO 81 OK 75 100 75 100 4.6-6.7 ~11178=44, ~11248=44...(29) QG1 VAL 133 + HG3 PRO 81 OK 51 76 70 95 2.1-9.6 10574=64, ~11757=55...(12) QG1 VAL 133 - HG3 ARG 135 poor 18 45 40 - 5.0-7.9 QG2 ILE 80 - HG3 ARG 135 far 7 69 10 - 5.2-8.8 QD2 LEU 119 - HG2 PRO 117 far 7 65 10 - 5.4-8.5 QD2 LEU 119 - HG3 PRO 113 far 0 48 0 - 5.8-9.3 QD2 LEU 119 - HG3 PRO 117 far 0 65 0 - 5.9-9.2 HG13 ILE 80 - HG3 ARG 135 far 0 69 0 - 6.3-9.6 QG2 ILE 129 - HG3 ARG 135 far 0 66 0 - 6.7-9.5 QD2 LEU 122 - HG2 PRO 117 far 0 57 0 - 7.1-10.4 QD1 LEU 122 - HG2 PRO 117 far 0 97 0 - 7.3-9.7 QD2 LEU 122 - HG3 PRO 117 far 0 57 0 - 8.4-11.7 QG2 ILE 129 - HG3 PRO 81 far 0 99 0 - 8.5-11.5 QD1 LEU 122 - HG3 PRO 117 far 0 97 0 - 8.8-11.1 QD1 LEU 53 - HG2 PRO 117 far 0 75 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 11283 from aliabs.peaks (3.79, 1.90, 29.11 ppm; 6.43 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 133 - HB3 ARG 84 far 0 65 0 - 8.3-11.8 Violated in 20 structures by 3.89 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 4.8-7.3 4.1/11298=67...(7) HG2 GLN 82 + HA THR 83 OK 96 99 100 97 5.8-7.3 4.1/11298=67, ~11223=50...(9) 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 - 7.8-8.6 Violated in 20 structures by 1.60 A. Peak 11287 from aliabs.peaks (4.59, 2.44, 33.48 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.97: * HA GLN 82 + HG3 GLN 82 OK 84 100 100 84 2.1-3.7 4.1=46, 11299/1.8=32...(9) HA GLN 82 + HG2 GLN 82 OK 79 99 95 83 2.4-4.2 4.1=46, 11299/1.8=32...(9) HA VAL 57 - HG2 GLU 55 far 0 59 0 - 6.0-8.7 HA HIS 3 - HG2 GLN 101 far 0 63 0 - 9.1-68.0 Violated in 1 structures by 0.01 A. Peak 11288 from aliabs.peaks (4.59, 2.09, 28.29 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 57 + HB3 GLN 61 OK 40 67 60 99 4.4-6.5 3.2/11310=36...(35) HA VAL 57 - HB2 GLN 61 far 4 74 5 - 4.8-6.2 HA HIS 3 - HB2 GLU 102 far 0 38 0 - 9.6-70.5 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 2.5-2.9 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 2.2-3.0 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 GLU 97 + HB3 GLU 97 OK 21 21 100 100 2.3-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 97 poor 16 45 35 - 3.6-6.8 HG3 GLN 61 - HB2 GLN 68 far 0 59 0 - 8.9-14.0 HG2 MET 11 - HB3 GLU 97 far 0 37 0 - 9.6-52.8 HG3 GLU 97 - HB2 GLN 68 far 0 46 0 - 9.7-14.4 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 - 5.6-7.1 HB3 GLU 44 - HB2 GLN 68 far 0 65 0 - 7.6-10.6 HB2 GLU 102 - HB3 GLU 97 far 0 41 0 - 8.0-11.0 HB VAL 126 - HB3 GLU 97 far 0 36 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 11293 from aliabs.peaks (2.44, 2.09, 28.29 ppm; 3.41 A): 5 out of 10 assignments used, quality = 1.00: HG3 GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 GLN 82 + HB3 GLN 82 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 31 31 100 100 2.2-2.8 3.0=100 HG2 GLN 101 - HB2 GLU 102 poor 16 59 55 50 3.0-7.8 7450/7455=33...(7) HB3 PRO 58 - HB2 GLN 61 far 0 39 0 - 4.7-6.1 HB3 PRO 58 - HB3 GLN 61 far 0 35 0 - 4.9-7.4 HG2 GLU 55 - HB3 GLN 61 far 0 60 0 - 7.2-11.5 HG2 GLU 55 - HB2 GLN 61 far 0 66 0 - 7.2-12.4 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 19 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 HG2 GLU 91 - HB2 GLU 128 far 0 65 0 - 4.4-7.9 HB3 GLN 127 - HB2 GLU 128 far 0 50 0 - 4.5-6.4 HB2 GLN 101 - HB2 GLU 102 far 0 63 0 - 5.1-7.2 HB2 PRO 81 - HB3 GLN 82 far 0 88 0 - 5.2-6.9 HB VAL 133 - HB3 GLN 82 far 0 95 0 - 6.8-11.6 HB3 GLN 104 - HB2 GLU 102 far 0 45 0 - 6.9-9.3 HB2 GLN 68 - HB3 GLU 44 far 0 57 0 - 7.6-10.6 HB2 GLN 104 - HB2 GLU 102 far 0 55 0 - 7.7-9.1 HB3 GLU 97 - HB2 GLU 102 far 0 51 0 - 8.0-11.0 HG2 GLN 68 - HB3 GLU 44 far 0 61 0 - 8.3-10.8 HB3 GLN 68 - HB3 GLU 44 far 0 47 0 - 8.4-10.8 HB3 GLN 104 - HB3 GLN 61 far 0 47 0 - 9.5-11.4 HG2 GLN 68 - HB3 GLN 61 far 0 59 0 - 9.5-13.4 HB VAL 133 - HB3 GLU 44 far 0 61 0 - 9.6-12.8 HB VAL 133 - HB2 GLU 128 far 0 60 0 - 9.8-12.0 HB2 GLN 104 - HB3 GLN 61 far 0 58 0 - 9.9-13.1 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 4.3-4.4 3.0/9765=95...(6) Violated in 0 structures by 0.00 A. Peak 11299 from aliabs.peaks (2.44, 4.59, 55.29 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.99: HG3 GLN 82 + HA GLN 82 OK 89 100 100 89 2.1-3.7 4.1=55, 1.8/11287=37...(9) HG2 GLN 82 + HA GLN 82 OK 88 99 100 89 2.4-4.2 4.1=55, 1.8/11287=39...(9) Violated in 1 structures by 0.01 A. Peak 11300 from aliabs.peaks (2.20, 4.59, 55.29 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: HB2 GLN 82 + HA GLN 82 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 PRO 81 - HA GLN 82 far 0 88 0 - 5.4-5.7 HB VAL 133 - HA GLN 82 far 0 95 0 - 8.4-12.4 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 2.4-3.0 3.0=100 HG3 PRO 81 - HA GLN 82 poor 19 71 30 90 4.3-6.2 2.3/11264=46, ~11914=30...(11) HB2 PRO 81 - HA GLN 82 far 0 87 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 11302 from aliabs.peaks (1.80, 4.59, 55.29 ppm; 5.51 A): 1 out of 3 assignments used, quality = 0.76: HB2 ARG 84 + HA GLN 82 OK 76 96 80 99 4.9-7.1 7091/9779=65...(9) HB2 LYS 86 - HA GLN 82 far 15 100 15 - 5.9-8.6 HB3 ARG 135 - HA GLN 82 far 0 81 0 - 7.3-10.5 Violated in 10 structures by 0.42 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 3.9-4.4 5.0=100 HB3 LYS 86 - HA GLN 82 far 0 95 0 - 6.1-7.7 Violated in 0 structures by 0.00 A. Peak 11304 from aliabs.peaks (1.66, 4.59, 55.29 ppm; 5.32 A): 2 out of 5 assignments used, quality = 0.37: HG3 ARG 84 + HA GLN 82 OK 21 90 25 94 4.8-8.0 3.0/11302=66...(7) HG2 ARG 84 + HA GLN 82 OK 20 85 25 95 4.3-7.9 3.0/11302=66...(8) HD3 LYS 86 - HA GLN 82 far 5 100 5 - 6.0-8.9 HD2 LYS 86 - HA GLN 82 far 0 100 0 - 6.4-8.6 QB ALA 88 - HA GLN 82 far 0 99 0 - 8.6-9.5 Violated in 15 structures by 0.92 A. Peak 11305 from aliabs.peaks (1.43, 4.59, 55.29 ppm; 6.05 A): 0 out of 1 assignment used, quality = 0.00: HG2 LYS 86 - HA GLN 82 far 0 87 0 - 7.0-8.3 Violated in 20 structures by 1.40 A. Peak 11306 from aliabs.peaks (1.22, 4.59, 55.29 ppm; 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=92, 9775/3.6=81...(5) HG12 ILE 80 - HA GLN 82 far 0 97 0 - 6.5-8.6 Violated in 17 structures by 0.04 A. Peak 11307 from aliabs.peaks (0.83, 2.43, 33.48 ppm; 4.55 A): 3 out of 13 assignments used, quality = 0.95: QG2 ILE 80 + HG3 GLN 82 OK 81 90 95 94 2.2-5.5 11263/2.9=54, 9715=44...(12) QD1 LEU 98 + HG2 GLN 101 OK 50 58 90 97 3.2-6.6 ~10051=39, ~10051=38...(10) QG2 ILE 80 + HG2 GLN 82 OK 43 92 50 94 3.5-6.1 11263/2.9=54...(11) QG2 VAL 57 - HG2 GLU 55 poor 17 24 70 - 2.5-6.0 QD1 LEU 70 - HG2 GLN 101 poor 15 84 30 61 4.3-8.9 11097/4.7=27...(8) QD2 LEU 70 - HG2 GLN 101 far 9 63 15 - 4.9-7.5 QD1 LEU 122 - HG2 GLN 101 far 0 71 0 - 5.7-10.0 HG13 ILE 80 - HG3 GLN 82 far 0 85 0 - 6.2-10.0 QG1 VAL 133 - HG3 GLN 82 far 0 97 0 - 6.9-11.8 HG13 ILE 80 - HG2 GLN 82 far 0 87 0 - 7.4-10.0 QG1 VAL 133 - HG2 GLN 82 far 0 98 0 - 8.0-11.4 QD1 LEU 122 - HG2 GLU 55 far 0 28 0 - 8.4-13.0 QG2 ILE 129 - HG3 GLN 82 far 0 98 0 - 10.0-12.9 Violated in 1 structures by 0.01 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 2.4-3.0 2.9=100 HB2 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 GLN 101 + HG2 GLN 101 OK 95 95 100 100 2.3-3.0 2.9=100 HB3 GLU 97 - HG2 GLN 101 poor 7 89 25 30 3.6-6.8 3.0/3112=8, 3156/3306=6...(8) HB2 PRO 81 - HG3 GLN 82 far 0 84 0 - 4.5-7.5 HB3 GLU 102 - HG2 GLN 101 far 0 74 0 - 4.5-8.1 HB3 GLN 104 - HG2 GLN 101 far 0 84 0 - 5.2-9.2 HB2 PRO 81 - HG2 GLN 82 far 0 82 0 - 6.1-7.7 HB2 GLN 104 - HG2 GLN 101 far 0 74 0 - 6.4-8.9 HB VAL 133 - HG2 GLN 82 far 0 83 0 - 8.8-12.4 HB VAL 133 - HG3 GLN 82 far 0 85 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 11309 from aliabs.peaks (2.09, 2.44, 33.48 ppm; 2.99 A): 2 out of 13 assignments used, quality = 1.00: HB3 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.4-3.0 2.9=100 HB2 GLU 102 - HG2 GLN 101 poor 10 94 25 41 3.0-7.8 7455/7450=25...(6) HB2 PRO 81 - HG3 GLN 82 far 0 92 0 - 4.5-7.5 HB VAL 57 - HG2 GLU 55 far 0 58 0 - 5.3-9.1 HB2 PRO 81 - HG2 GLN 82 far 0 90 0 - 6.1-7.7 HB3 GLN 61 - HG2 GLU 55 far 0 50 0 - 7.2-11.5 HB2 GLN 61 - HG2 GLU 55 far 0 53 0 - 7.2-12.4 HB VAL 118 - HG2 GLN 101 far 0 72 0 - 8.9-10.6 HB2 LEU 62 - HG2 GLU 55 far 0 28 0 - 9.1-13.2 HG3 PRO 58 - HG2 GLU 55 far 0 38 0 - 9.7-12.6 HB3 LYS 39 - HG3 GLN 82 far 0 99 0 - 9.8-13.9 HB2 LEU 62 - HG2 GLN 101 far 0 53 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 11310 from aliabs.peaks (0.84, 2.09, 28.29 ppm; 3.61 A): 2 out of 17 assignments used, quality = 0.76: QG2 VAL 57 + HB3 GLN 61 OK 59 59 100 100 3.2-4.2 10989/3.0=36, 1804=34...(31) QG2 ILE 80 + HB3 GLN 82 OK 43 60 100 71 3.1-4.2 11262/2.9=32...(9) QD1 LEU 98 - HB2 GLU 102 poor 11 53 20 - 3.5-8.5 QG2 VAL 57 - HB2 GLN 61 far 10 65 15 - 3.4-5.5 QG2 ILE 129 - HB2 GLU 128 far 0 50 0 - 5.3-6.4 QG1 VAL 133 - HB3 GLN 82 far 0 100 0 - 5.7-10.7 QD2 LEU 69 - HB3 GLU 44 far 0 47 0 - 6.1-8.5 QG1 VAL 133 - HB2 GLU 128 far 0 67 0 - 6.6-10.7 QD2 LEU 69 - HB2 GLU 128 far 0 46 0 - 7.3-9.5 QD2 LEU 70 - HB2 GLU 102 far 0 56 0 - 7.7-10.2 QG1 VAL 133 - HB3 GLU 44 far 0 68 0 - 8.1-10.2 QD2 LEU 69 - HB3 GLN 61 far 0 45 0 - 8.3-11.9 QD2 LEU 70 - HB2 GLU 128 far 0 60 0 - 8.5-10.2 QG2 ILE 129 - HB3 GLU 44 far 0 50 0 - 8.7-10.5 QD2 LEU 69 - HB2 GLN 61 far 0 50 0 - 9.1-12.5 QG2 ILE 32 - HB3 GLU 44 far 0 68 0 - 9.1-16.0 QG2 ILE 129 - HB3 GLN 82 far 0 83 0 - 9.8-12.4 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 4 assignments used, quality = 0.99: HB2 LYS 86 + QG2 THR 83 OK 99 99 100 100 3.0-4.1 1.8/9760=70...(19) HB2 ARG 84 - QG2 THR 83 far 0 99 0 - 4.9-6.0 HB2 CYS 79 - QG2 THR 83 far 0 60 0 - 9.6-10.6 HB3 ARG 135 - QG2 THR 83 far 0 89 0 - 9.7-11.4 Violated in 10 structures by 0.08 A. Peak 11313 from aliabs.peaks (2.45, 1.23, 22.04 ppm; 4.70 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLN 82 - QG2 THR 83 far 0 95 0 - 6.2-7.7 HG2 GLN 82 - QG2 THR 83 far 0 89 0 - 6.3-7.9 Violated in 20 structures by 1.65 A. Peak 11314 from aliabs.peaks (2.44, 1.81, 29.11 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.94: HG2 GLN 82 + HB2 ARG 84 OK 80 95 85 99 3.5-6.7 11315/1.8=59...(14) HG3 GLN 82 + HB2 ARG 84 OK 68 98 70 99 4.3-7.8 2.9/11364=57...(15) Violated in 5 structures by 0.15 A. Peak 11315 from aliabs.peaks (2.45, 1.90, 29.11 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.61: HG2 GLN 82 + HB3 ARG 84 OK 46 90 55 93 3.1-6.5 ~11364=37, 11314/1.8=34...(11) HG3 GLN 82 + HB3 ARG 84 OK 27 96 30 94 4.4-7.9 ~11364=37, 11314/1.8=29...(13) Violated in 13 structures by 0.43 A. Peak 11316 from aliabs.peaks (2.43, 1.64, 26.79 ppm; 5.45 A): 4 out of 8 assignments used, quality = 0.93: HG2 GLN 82 + HG2 ARG 84 OK 58 100 60 98 3.8-8.1 11502/1.8=50...(13) HG2 GLN 82 + HG3 ARG 84 OK 58 100 60 98 3.8-7.8 11502=49, 11315/3.0=45...(12) HG3 GLN 82 + HG3 ARG 84 OK 49 100 50 98 4.2-8.5 1.8/11502=49, ~11315=38...(12) HG3 GLN 82 + HG2 ARG 84 OK 24 100 25 98 4.8-8.9 ~11502=42, ~11315=38...(14) HG2 GLU 55 - HG LEU 119 far 0 53 0 - 8.2-14.3 HG3 GLN 61 - HG LEU 119 far 0 35 0 - 8.3-11.9 HB3 PRO 58 - HG LEU 22 far 0 44 0 - 9.7-50.3 HB3 PRO 58 - HG LEU 119 far 0 38 0 - 9.8-12.1 Violated in 7 structures by 0.13 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 3.9-4.2 2.1/9782=80, 7088/2.8=63...(14) HA ALA 88 - HA ARG 84 far 0 63 0 - 7.1-8.2 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 - 7.5-9.7 Violated in 20 structures by 2.69 A. Peak 11320 from aliabs.peaks (1.92, 4.81, 54.84 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.84: HB3 ARG 84 + HA ASN 85 OK 84 90 100 93 4.2-5.7 ~2541=38, 3.0/2595=22...(15) HB2 ARG 90 - HA ASN 85 far 0 99 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 11321 from aliabs.peaks (2.08, 4.81, 54.84 ppm; 6.80 A): 1 out of 6 assignments used, quality = 0.93: HB3 GLN 82 + HA ASN 85 OK 93 93 100 100 4.7-7.1 11276/2.9=93...(13) HG3 PRO 81 - HA ASN 85 far 7 68 10 - 6.6-8.7 HG3 GLU 91 - HA ASN 85 far 0 90 0 - 8.6-9.6 HG3 GLN 134 - HA ASN 85 far 0 100 0 - 8.8-12.1 HB2 PRO 81 - HA ASN 85 far 0 87 0 - 9.2-11.1 HB2 GLU 128 - HA ASN 85 far 0 100 0 - 9.7-12.3 Violated in 1 structures by 0.01 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 4.0-5.1 ~10535=81, ~10545=80...(22) QG1 VAL 132 + HA ASN 85 OK 97 97 100 100 2.0-3.0 10535/3.0=95...(23) Violated in 0 structures by 0.00 A. Peak 11323 from aliabs.peaks (1.66, 2.82, 37.45 ppm; 4.91 A): 4 out of 11 assignments used, quality = 1.00: QB ALA 88 + HB3 ASN 85 OK 100 100 100 100 4.2-5.7 2750/3.0=92, 9853/1.8=91...(10) HB2 LEU 123 + HB2 ASN 120 OK 64 68 95 100 4.1-6.2 3813/3.0=76, ~3927=54...(27) HB2 LEU 123 + HB3 ASN 120 OK 57 60 95 100 4.6-5.8 3813/3.0=76, ~3927=54...(26) HG3 ARG 84 + HB3 ASN 85 OK 25 85 35 83 5.0-8.0 ~11320=26, 9788/1.8=17...(20) HG2 ARG 84 - HB3 ASN 85 far 8 78 10 - 4.2-8.1 HD2 LYS 86 - HB3 ASN 85 far 0 100 0 - 6.3-8.2 HD3 LYS 86 - HB3 ASN 85 far 0 99 0 - 6.4-8.6 HG LEU 43 - HB3 ASN 85 far 0 90 0 - 9.0-11.6 HD2 LYS 39 - HB3 ASN 85 far 0 83 0 - 9.6-11.5 HG LEU 62 - HB3 ASN 120 far 0 56 0 - 9.8-12.3 HG LEU 62 - HB2 ASN 120 far 0 63 0 - 9.9-11.9 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 3.3-4.4 11222/1.8=98...(21) QG2 VAL 93 - HB2 ASN 85 far 0 83 0 - 7.4-10.1 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 2.7-4.2 3.1/11172=99, ~11237=95...(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 3.5-4.4 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 4.7-5.6 2.1/11193=97, ~9663=65...(26) Violated in 8 structures by 0.10 A. Peak 11332 from aliabs.peaks (2.94, 3.89, 60.61 ppm; 5.75 A): 1 out of 2 assignments used, quality = 0.96: HE3 LYS 86 + HA LYS 86 OK 96 96 100 100 3.2-4.1 1.8/2693=98, 2704=93...(23) HD2 ARG 135 - HA LYS 86 far 0 89 0 - 7.4-11.4 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 3.5-4.7 1.8/2704=100, 2693=100...(21) Violated in 0 structures by 0.00 A. Peak 11334 from aliabs.peaks (0.80, 1.96, 32.49 ppm; 4.26 A): 2 out of 19 assignments used, quality = 0.97: QG2 ILE 80 + HB3 LYS 86 OK 85 85 100 100 2.5-4.2 9821/1.8=78, 3.1/9721=61...(40) QG2 ILE 80 + HB3 PRO 81 OK 80 80 100 100 4.2-4.7 9742/4.1=39...(31) HG13 ILE 80 - HB3 LYS 86 far 14 90 15 - 4.4-6.9 QD2 LEU 122 - HB3 LYS 95 far 0 33 0 - 5.3-8.4 HG13 ILE 80 - HB3 PRO 81 far 0 86 0 - 5.8-8.1 QD1 LEU 96 - HB3 LYS 95 far 0 22 0 - 6.1-7.2 QD1 LEU 103 - HB2 PRO 58 far 0 55 0 - 6.4-9.1 QD2 LEU 119 - HB2 PRO 58 far 0 63 0 - 6.6-11.3 QD1 LEU 122 - HB3 LYS 95 far 0 33 0 - 6.8-9.0 QG1 VAL 63 - HB2 PRO 58 far 0 56 0 - 7.6-8.2 QD1 LEU 70 - HB3 LYS 95 far 0 29 0 - 7.9-9.7 QG2 ILE 129 - HB3 LYS 86 far 0 63 0 - 8.8-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 36 0 - 8.9-11.2 QD2 LEU 49 - HB2 PRO 58 far 0 65 0 - 9.1-12.1 QD1 LEU 122 - HB2 PRO 58 far 0 60 0 - 9.2-11.9 QD1 LEU 53 - HB2 PRO 58 far 0 65 0 - 9.3-13.7 QD1 LEU 53 - HB3 LYS 95 far 0 36 0 - 9.3-12.7 QD2 LEU 122 - HB2 PRO 58 far 0 60 0 - 9.4-12.7 QD1 LEU 103 - HB3 LYS 95 far 0 30 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11335 from aliabs.peaks (0.83, 1.66, 29.78 ppm; 4.09 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 80 + HD2 LYS 86 OK 96 96 100 100 2.9-4.7 11877/3.0=52, 11241=47...(52) QG2 ILE 80 + HD3 LYS 86 OK 95 95 100 100 3.6-4.5 11877/3.0=52, 11241=46...(54) HG13 ILE 80 - HD2 LYS 86 far 0 92 0 - 5.0-7.1 HG13 ILE 80 - HD3 LYS 86 far 0 91 0 - 5.6-7.1 QG1 VAL 133 - HD2 LYS 86 far 0 96 0 - 7.6-10.7 QG1 VAL 133 - HD3 LYS 86 far 0 95 0 - 8.3-11.0 QG2 ILE 129 - HD2 LYS 86 far 0 100 0 - 9.3-10.5 QG2 ILE 129 - HD3 LYS 86 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11336 from aliabs.peaks (1.05, 1.66, 29.78 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.87: QG1 VAL 77 + HD2 LYS 86 OK 75 100 75 100 3.1-5.6 11180=100, 9650/3.0=62...(36) QG1 VAL 77 + HD3 LYS 86 OK 50 100 50 100 3.4-5.9 11180/1.8=83...(36) QG2 VAL 133 - HD2 LYS 86 far 0 97 0 - 8.2-11.2 QG2 VAL 133 - HD3 LYS 86 far 0 97 0 - 8.8-11.7 Violated in 9 structures by 0.21 A. Peak 11337 from aliabs.peaks (1.18, 1.66, 29.78 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 77 + HD2 LYS 86 OK 97 97 100 100 3.1-4.2 2.1/11180=73...(36) QG2 VAL 77 + HD3 LYS 86 OK 96 96 100 100 2.4-4.2 11182/3.0=62...(35) Violated in 0 structures by 0.00 A. Peak 11339 from aliabs.peaks (1.18, 1.48, 25.19 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 77 + HG3 LYS 86 OK 99 99 100 100 1.9-4.0 11742/1.8=89...(29) QB ALA 41 + HG3 LYS 36 OK 21 50 80 53 2.6-5.7 10904/6407=33...(5) HG12 ILE 32 - HG3 LYS 36 far 3 30 10 - 4.1-11.8 QG2 THR 25 - HG3 LYS 36 far 0 50 0 - 8.0-18.5 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 1 assignment used, quality = 0.99: QG2 VAL 77 + HG2 LYS 86 OK 99 99 100 100 1.8-2.4 11742=98, 11182/1.8=90...(31) 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 3.7-4.9 11342/1.8=83...(21) HA VAL 133 - HG2 LYS 86 far 0 63 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 11342 from aliabs.peaks (3.74, 1.48, 25.19 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: HA THR 83 + HG3 LYS 86 OK 100 100 100 100 2.0-5.1 2636/3.0=78...(21) HA VAL 133 - HG3 LYS 86 far 0 63 0 - 6.9-9.9 Violated in 4 structures by 0.02 A. Peak 11343 from aliabs.peaks (3.75, 1.66, 29.78 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: HA THR 83 + HD2 LYS 86 OK 93 99 95 100 3.0-5.2 2636/3.5=49, 2624/3.5=48...(18) HA THR 83 + HD3 LYS 86 OK 93 98 95 100 2.5-5.1 2636/3.5=49, 2624/3.5=48...(18) HA VAL 133 - HD2 LYS 86 far 0 85 0 - 8.8-10.8 HA VAL 133 - HD3 LYS 86 far 0 84 0 - 9.3-10.8 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 - 7.2-8.2 HA ALA 92 - QD PHE 87 far 0 65 0 - 8.3-10.4 Violated in 20 structures by 1.74 A. Peak 11347 from aliabs.peaks (1.76, 4.27, 61.07 ppm; 4.81 A): 2 out of 11 assignments used, quality = 0.70: HB2 LYS 86 + HA PHE 87 OK 60 60 100 100 3.8-5.5 1.8/2724=69, ~7157=59...(16) HG3 ARG 90 + HA PHE 87 OK 25 63 40 98 2.4-6.7 2.9/2723=73, 2.9/2804=55...(13) HB2 LYS 26 - HA THR 25 poor 19 20 95 - 4.5-6.1 HG3 ARG 90 - HA SER 74 poor 17 22 80 - 4.2-8.7 HB2 ARG 23 - HA THR 25 far 0 25 0 - 6.9-8.7 HG13 ILE 129 - HA SER 74 far 0 30 0 - 7.4-11.3 HB ILE 80 - HA PHE 87 far 0 57 0 - 7.7-8.6 HB2 LYS 86 - HA SER 74 far 0 21 0 - 8.2-11.8 HB2 LYS 19 - HA SER 74 far 0 29 0 - 8.2-31.6 HB2 LEU 48 - HA THR 25 far 0 24 0 - 9.0-36.4 HG13 ILE 129 - HA PHE 87 far 0 81 0 - 9.2-12.8 Violated in 2 structures by 0.01 A. Peak 11348 from aliabs.peaks (1.80, 3.23, 38.11 ppm; 4.68 A): 1 out of 5 assignments used, quality = 0.95: HB2 LYS 86 + HB2 PHE 87 OK 95 100 95 100 4.5-5.7 1.8/9833=78, 7156/4.0=65...(10) HB2 ARG 84 - HB2 PHE 87 poor 19 95 20 - 5.1-6.7 HB2 LYS 86 - HB3 PHE 87 far 0 97 0 - 5.7-6.9 HB2 ARG 84 - HB3 PHE 87 far 0 89 0 - 6.3-7.9 HB3 ARG 135 - HB2 PHE 87 far 0 78 0 - 9.1-11.5 Violated in 18 structures by 0.50 A. Peak 11349 from aliabs.peaks (1.78, 7.32, 131.40 ppm; 5.81 A): 2 out of 2 assignments used, quality = 0.98: HB2 LYS 86 + QD PHE 87 OK 97 97 100 100 3.4-5.7 11267/9776=92...(10) HB2 ARG 84 + QD PHE 87 OK 37 68 55 99 5.7-7.8 3.0/5522=38, ~2532=34...(23) Violated in 0 structures by 0.00 A. Peak 11350 from aliabs.peaks (0.98, 7.32, 131.40 ppm; 5.93 A): 0 out of 0 assignments used, quality = 0.00: Peak 11351 from aliabs.peaks (2.07, 7.32, 131.40 ppm; 5.34 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 91 - QD PHE 87 far 12 81 15 - 5.7-8.0 HB3 GLN 82 - QD PHE 87 far 0 85 0 - 8.4-10.8 Violated in 20 structures by 1.44 A. Peak 11352 from aliabs.peaks (2.21, 7.32, 131.40 ppm; 4.98 A): 1 out of 2 assignments used, quality = 0.25: HG2 GLU 91 + QD PHE 87 OK 25 100 25 100 5.2-7.6 9918=100, 11354/2.5=67...(9) HB2 GLN 82 - QD PHE 87 far 0 100 0 - 7.4-10.2 Violated in 20 structures by 1.42 A. Peak 11353 from aliabs.peaks (2.00, 3.23, 38.11 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.96: HB2 GLU 91 + HB3 PHE 87 OK 93 94 100 99 3.7-5.4 3.0/11354=60...(11) HB2 GLU 91 + HB2 PHE 87 OK 44 99 45 99 5.2-7.0 ~11354=45, 11391/2.5=43...(11) HG2 ARG 90 - HB2 PHE 87 far 4 83 5 - 5.7-7.8 HG2 ARG 90 - HB3 PHE 87 far 4 77 5 - 5.6-7.6 Violated in 1 structures by 0.02 A. Peak 11354 from aliabs.peaks (2.21, 3.23, 38.11 ppm; 5.21 A): 1 out of 4 assignments used, quality = 0.58: HG2 GLU 91 + HB3 PHE 87 OK 58 97 60 99 5.1-6.6 9918/2.5=81...(10) HG2 GLU 91 - HB2 PHE 87 far 0 100 0 - 6.2-7.9 HB2 GLN 82 - HB2 PHE 87 far 0 100 0 - 7.9-9.5 HB2 GLN 82 - HB3 PHE 87 far 0 97 0 - 8.6-10.6 Violated in 19 structures by 0.61 A. Peak 11355 from aliabs.peaks (0.87, 3.23, 38.11 ppm; 6.42 A): 0 out of 0 assignments used, quality = 0.00: Peak 11356 from aliabs.peaks (3.76, 7.32, 131.40 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.83: HA THR 83 + QD PHE 87 OK 83 83 100 100 4.1-6.5 3.2/9776=99...(15) Violated in 1 structures by 0.01 A. Peak 11357 from aliabs.peaks (3.75, 3.23, 38.11 ppm; 5.17 A): 1 out of 3 assignments used, quality = 0.23: HA THR 83 + HB2 PHE 87 OK 23 93 25 100 5.4-6.8 3.2/9835=74, ~9776=57...(16) HA THR 83 - HB3 PHE 87 far 0 88 0 - 6.7-8.4 HA VAL 133 - HB2 PHE 87 far 0 95 0 - 9.8-11.6 Violated in 20 structures by 1.11 A. Peak 11358 from aliabs.peaks (3.78, 4.27, 61.07 ppm; 4.98 A): 0 out of 3 assignments used, quality = 0.00: HA ARG 90 - HA SER 74 poor 14 31 45 - 5.3-7.6 HA ARG 90 - HA PHE 87 far 0 83 0 - 5.9-6.8 HA GLU 97 - HA SER 74 far 0 34 0 - 7.9-11.8 Violated in 20 structures by 0.39 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...(15) 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 5.3-6.0 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 89 100 100 3.7-3.9 2.9/7195=75, 11370=57...(16) HA ALA 92 - QB ALA 88 far 0 93 0 - 5.6-6.7 Violated in 0 structures by 0.00 A. Peak 11363 from aliabs.peaks (3.22, 1.66, 18.14 ppm; 4.31 A): 3 out of 6 assignments used, quality = 1.00: HB2 PHE 87 + QB ALA 88 OK 96 97 100 100 4.0-5.0 4.5/7185=59, 9834=41...(21) HB3 PHE 87 + QB ALA 88 OK 87 87 100 100 3.7-4.2 4.5/7185=59, 9834=39...(21) HD3 ARG 135 + QB ALA 88 OK 28 87 55 59 3.3-7.0 10635/9857=29...(4) HD3 ARG 84 - QB ALA 88 poor 13 63 20 - 4.2-8.6 HD2 ARG 84 - QB ALA 88 lone 2 63 45 9 4.0-8.1 5.0/2526=4, 7108/9847=4 HB3 CYS 125 - QB ALA 88 far 0 90 0 - 8.2-11.4 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 4.2-4.8 4.7=100 HB3 SER 74 + QE PHE 89 OK 28 68 85 48 6.2-7.3 11187/9673=28, ~5534=12...(4) HA CYS 79 - QE PHE 89 far 0 83 0 - 8.2-9.1 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 3.1-4.3 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...(22) HA LYS 39 + QE PHE 89 OK 40 63 100 63 5.6-6.7 10578/11756=34...(3) HA VAL 126 - QE PHE 89 far 5 98 5 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 11366 from aliabs.peaks (3.31, 7.41, 131.12 ppm; 5.21 A): 4 out of 4 assignments used, quality = 1.00: HB2 PHE 89 + QE PHE 89 OK 100 100 100 100 4.4-4.5 4.5=100 HB3 CYS 73 + QE PHE 89 OK 100 100 100 100 2.2-4.2 3.0/11145=82...(15) 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 28 68 70 60 4.8-6.5 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 3 assignments used, quality = 0.68: HB VAL 132 + QE PHE 89 OK 68 68 100 100 3.6-4.8 11669/10552=83...(18) HB3 GLN 134 - QE PHE 89 far 0 78 0 - 7.2-8.8 HG3 GLN 68 - QE PHE 89 far 0 96 0 - 8.7-11.7 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 2.3-4.0 9667=100, 2401/9677=96...(27) HA ILE 129 + QD PHE 89 OK 99 99 100 100 3.1-4.6 10459=99, 10566/10554=77...(24) HA VAL 126 - QD PHE 89 far 0 95 0 - 7.4-8.3 HA LEU 42 - QD PHE 89 far 0 81 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 11369 from aliabs.peaks (3.45, 4.08, 62.01 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 129 + HA PHE 89 OK 99 99 100 100 3.1-4.0 10478/2897=78...(24) HA VAL 77 + HA PHE 89 OK 25 100 25 100 6.0-7.2 9667/3.1=77, 9666/4.7=57...(23) HA VAL 126 - HA PHE 89 far 0 95 0 - 7.6-8.4 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 3.7-3.9 7195/2.9=86, 11362=81...(16) HD3 LYS 95 - HA PHE 89 far 0 96 0 - 8.2-11.0 HD2 LYS 95 - HA PHE 89 far 0 89 0 - 8.2-11.1 HD2 LYS 86 - HA PHE 89 far 0 92 0 - 9.0-9.7 HD3 LYS 86 - HA PHE 89 far 0 87 0 - 9.4-9.7 HB2 LEU 69 - HA PHE 89 far 0 81 0 - 9.4-12.9 HG LEU 43 - HA PHE 89 far 0 63 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 11371 from aliabs.peaks (0.82, 3.34, 39.57 ppm; 6.00 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 129 + HB3 PHE 89 OK 100 100 100 100 4.4-5.3 10457/4.5=86...(23) QG2 ILE 80 + HB3 PHE 89 OK 99 99 100 100 4.3-5.3 ~9747=68, ~9747=66...(24) HG13 ILE 80 + HB3 PHE 89 OK 98 98 100 100 3.2-5.6 ~9747=82, ~9747=80...(26) QG1 VAL 133 + HB3 PHE 89 OK 82 87 95 100 3.7-7.2 ~10554=79, ~10554=77...(16) QD1 LEU 70 - HB3 PHE 89 far 0 98 0 - 8.1-12.7 Violated in 0 structures by 0.00 A. Peak 11372 from aliabs.peaks (0.83, 3.32, 39.57 ppm; 5.79 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 129 + HB2 PHE 89 OK 100 100 100 100 4.2-5.2 10457/4.5=82...(24) QG1 VAL 133 + HB2 PHE 89 OK 96 96 100 100 3.6-6.4 10557/2.7=85, ~10554=75...(15) QG2 ILE 80 + HB2 PHE 89 OK 96 96 100 100 4.0-5.5 ~9747=64, ~9747=62...(29) HG13 ILE 80 + HB2 PHE 89 OK 92 92 100 100 3.5-5.7 ~9747=78, ~9747=76...(28) QD1 LEU 70 - HB2 PHE 89 far 0 92 0 - 8.7-12.5 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 5.6-6.2 2897/3.0=100...(12) HG2 LYS 86 + HB2 PHE 89 OK 93 93 100 99 4.1-5.0 3.7/2765=82...(11) Violated in 0 structures by 0.00 A. Peak 11374 from aliabs.peaks (1.66, 3.32, 39.57 ppm; 6.11 A): 3 out of 6 assignments used, quality = 1.00: QB ALA 88 + HB2 PHE 89 OK 100 100 100 100 4.2-5.1 4.7=100 HD2 LYS 86 + HB2 PHE 89 OK 37 100 40 94 6.5-7.6 5.5/2765=60...(7) HD3 LYS 86 + HB2 PHE 89 OK 23 99 25 92 6.4-7.6 5.5/2765=60...(8) HG3 ARG 84 - HB2 PHE 89 far 0 85 0 - 7.7-11.1 HG2 ARG 84 - HB2 PHE 89 far 0 78 0 - 7.9-10.7 HG LEU 43 - HB2 PHE 89 far 0 90 0 - 9.2-11.7 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 2.6-5.2 11377/3.0=94...(24) HB3 GLN 134 - HB2 PHE 89 far 0 71 0 - 9.3-12.0 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 4.3-5.7 3.0/2765=88, ~11327=59...(19) HB VAL 93 + HB2 PHE 89 OK 82 87 95 100 5.2-7.4 ~9924=81, ~9954=78...(14) HB3 ARG 135 - HB2 PHE 89 far 0 99 0 - 8.0-10.8 HB2 ARG 84 - HB2 PHE 89 far 0 100 0 - 8.1-10.5 HB2 CYS 79 - HB2 PHE 89 far 0 83 0 - 9.5-10.7 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 2.7-3.7 2.1/10539=62...(24) HB3 GLN 134 - HA PHE 89 far 0 71 0 - 9.3-11.5 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 5 assignments used, quality = 0.94: QG2 VAL 132 + QE PHE 89 OK 81 81 100 100 4.4-5.4 ~11650=54, ~11943=53...(22) QG2 VAL 77 + QE PHE 89 OK 71 71 100 100 3.0-4.8 2.1/9671=87, 2.1/9673=77...(23) HG3 LYS 39 - QE PHE 89 far 0 100 0 - 5.8-8.1 HG2 LYS 39 - QE PHE 89 far 0 68 0 - 5.8-7.6 QB ALA 41 - QE PHE 89 far 0 92 0 - 7.7-8.4 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 3.8-4.6 2.1/9676=94, 2.1/9671=93...(24) QG2 VAL 133 + QE PHE 89 OK 97 97 100 100 1.9-4.1 10552=96, 10554/2.2=89...(23) Violated in 0 structures by 0.00 A. Peak 11380 from aliabs.peaks (0.83, 7.41, 131.12 ppm; 4.78 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + QE PHE 89 OK 99 99 100 100 1.9-2.8 10457=98, 10486/11891=71...(28) QG1 VAL 133 + QE PHE 89 OK 99 99 100 100 1.8-4.0 11756=98, 2.1/10552=95...(24) HG13 ILE 80 + QE PHE 89 OK 81 85 95 100 4.5-5.8 2.1/9749=78, ~9747=64...(23) QG2 ILE 80 + QE PHE 89 OK 23 90 25 100 5.2-6.4 3.1/9749=66, ~9747=50...(20) QD1 LEU 70 - QE PHE 89 far 8 85 10 - 5.4-8.9 QD2 LEU 70 - QE PHE 89 far 0 68 0 - 6.1-7.7 QD1 LEU 122 - QE PHE 89 far 0 71 0 - 8.8-12.2 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 2.5-3.5 11890=97, 2.1/11891=96...(17) QD1 ILE 129 + QE PHE 89 OK 68 68 100 100 4.0-5.2 3.0/10457=96...(19) QD1 LEU 100 - QE PHE 89 far 0 68 0 - 8.7-10.6 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 2.0-3.5 11326=94, 9923/2.2=85...(24) QD1 ILE 80 + QE PHE 89 OK 95 95 100 100 2.9-3.4 9747/2.2=86, 9749=82...(32) 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 2.9-3.7 7275=100, 7281/2793=88...(11) H ILE 129 - HA ARG 90 far 0 96 0 - 7.5-9.3 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 9 assignments used, quality = 1.00: QG2 VAL 77 + HD3 ARG 90 OK 100 100 100 100 2.0-3.8 9662/3.0=52, 9676/2.9=47...(38) QG2 VAL 77 + HD2 ARG 90 OK 100 100 100 100 1.9-4.2 9662/3.0=52, 9676/2.9=47...(38) QG2 THR 18 - HD3 ARG 23 far 0 71 0 - 5.3-11.5 QG2 THR 18 - HD2 ARG 23 far 0 73 0 - 5.5-11.2 QG2 THR 25 - HD2 ARG 23 far 0 91 0 - 6.1-10.4 QG2 THR 25 - HD3 ARG 23 far 0 89 0 - 6.2-9.8 HG12 ILE 80 - HD2 ARG 90 far 0 67 0 - 7.9-11.1 HG12 ILE 80 - HD3 ARG 90 far 0 68 0 - 8.2-10.9 QB ALA 41 - HD2 ARG 23 far 0 90 0 - 9.5-26.1 Violated in 1 structures by 0.00 A. Peak 11385 from aliabs.peaks (1.05, 3.17, 43.17 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 77 + HD2 ARG 90 OK 95 100 95 100 1.9-5.2 9656=58, 9651/3.0=56...(36) QG1 VAL 77 + HD3 ARG 90 OK 75 100 75 100 2.3-5.2 9651/3.0=56...(35) QG2 VAL 133 - HD3 ARG 90 far 0 97 0 - 7.1-12.7 QG2 VAL 133 - HD2 ARG 90 far 0 97 0 - 8.0-12.2 Violated in 3 structures by 0.03 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: QD1 LEU 22 - HD3 ARG 23 far 6 57 10 - 3.4-9.3 QD2 LEU 22 - HD3 ARG 23 far 3 66 5 - 4.2-9.2 QD1 LEU 22 - HD2 ARG 23 far 3 60 5 - 4.9-9.8 QD2 LEU 22 - HD2 ARG 23 far 0 69 0 - 5.6-9.0 QG2 ILE 32 - HD2 ARG 23 far 0 65 0 - 6.8-20.1 QD2 LEU 70 - HD3 ARG 90 far 0 99 0 - 7.7-10.8 QG2 ILE 32 - HD3 ARG 23 far 0 61 0 - 8.0-19.5 QD2 LEU 70 - HD2 ARG 90 far 0 100 0 - 8.6-11.3 QG1 VAL 133 - HD3 ARG 90 far 0 75 0 - 8.6-11.2 QD2 LEU 98 - HD3 ARG 90 far 0 82 0 - 8.7-11.7 QG1 VAL 133 - HD2 ARG 90 far 0 76 0 - 8.7-11.6 QD1 LEU 98 - HD2 ARG 90 far 0 100 0 - 9.2-14.6 QD1 LEU 98 - HD3 ARG 90 far 0 100 0 - 9.4-13.8 QD2 LEU 98 - HD2 ARG 90 far 0 83 0 - 9.6-12.9 QD2 LEU 69 - HD3 ARG 90 far 0 99 0 - 9.9-14.2 Violated in 18 structures by 1.39 A. Peak 11387 from aliabs.peaks (1.40, 3.97, 58.93 ppm; 5.12 A): 2 out of 8 assignments used, quality = 0.78: QB ALA 92 + HA GLU 91 OK 68 68 100 100 5.0-5.0 9914/2877=73...(18) HG2 LYS 95 + HA GLU 91 OK 30 92 60 54 4.6-7.3 9911/2884=27...(4) HG3 LYS 95 - HA GLU 91 poor 17 87 20 - 5.1-7.4 QB ALA 92 - HA GLN 127 far 0 53 0 - 6.3-7.3 HB2 LEU 96 - HA GLN 127 far 0 60 0 - 7.6-9.1 HB2 LEU 96 - HA GLU 91 far 0 76 0 - 8.0-10.7 HG LEU 96 - HA GLU 91 far 0 99 0 - 9.3-10.4 HG LEU 96 - HA GLN 127 far 0 86 0 - 9.9-10.4 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 5 assignments used, quality = 0.89: QB ALA 92 + HB2 GLU 91 OK 89 89 100 100 4.8-5.1 3.0/7252=90...(21) HG2 LYS 95 - HB2 GLU 91 far 0 73 0 - 6.1-9.0 HG3 LYS 95 - HB2 GLU 91 far 0 65 0 - 7.0-9.3 QB ALA 109 - HB3 PRO 56 far 0 43 0 - 8.8-14.0 HG2 LYS 86 - HB2 GLU 91 far 0 100 0 - 9.2-11.0 Violated in 1 structures by 0.00 A. Peak 11389 from aliabs.peaks (3.22, 2.09, 35.29 ppm; 5.88 A): 1 out of 4 assignments used, quality = 0.46: HB3 PHE 87 + HG3 GLU 91 OK 46 92 50 100 6.3-7.5 11354/1.8=92, ~9918=74...(10) HB3 CYS 125 - HG3 GLU 91 far 0 85 0 - 6.9-10.4 HB2 PHE 87 - HG3 GLU 91 far 0 99 0 - 7.6-8.9 HD3 ARG 135 - HG3 GLU 91 far 0 92 0 - 9.0-12.8 Violated in 20 structures by 1.00 A. Peak 11390 from aliabs.peaks (3.23, 2.21, 35.29 ppm; 6.58 A): 3 out of 5 assignments used, quality = 1.00: HB3 PHE 87 + HG2 GLU 91 OK 98 98 100 100 5.1-6.6 11354=100, 2.5/9918=99...(9) HB2 PHE 87 + HG2 GLU 91 OK 85 100 85 100 6.2-7.9 1.8/11354=100...(8) HA VAL 93 + HG2 GLU 91 OK 49 57 95 91 6.9-7.5 9951/9914=44...(6) HB3 CYS 125 - HG2 GLU 91 far 4 71 5 - 7.0-10.7 HD3 ARG 135 - HG2 GLU 91 far 0 98 0 - 7.8-11.3 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 3.0-5.5 9918/3.0=94...(12) HE ARG 90 - HB2 GLU 91 poor 18 60 30 - 6.0-8.6 H ASN 85 - HB2 GLU 91 far 0 68 0 - 9.5-11.2 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 - 9.1-10.1 H LEU 123 - HA ALA 92 far 0 71 0 - 9.7-11.7 Violated in 20 structures by 2.51 A. Peak 11393 from aliabs.peaks (8.00, 1.43, 18.11 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: H SER 94 + QB ALA 92 OK 100 100 100 100 4.6-5.1 9220=64, 7279/7267=63...(21) H ILE 129 + QB ALA 92 OK 99 99 100 100 2.9-4.0 10476=77, 7873/10491=64...(19) Violated in 0 structures by 0.00 A. Peak 11394 from aliabs.peaks (7.08, 1.43, 18.11 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 89 + QB ALA 92 OK 93 93 100 100 4.5-5.3 3.1/2897=95...(16) Violated in 0 structures by 0.00 A. Peak 11395 from aliabs.peaks (2.74, 4.05, 54.95 ppm; 5.49 A): 1 out of 3 assignments used, quality = 0.97: HB2 CYS 125 + HA ALA 92 OK 97 97 100 100 4.2-6.1 11396/2.1=87, ~10376=61...(14) HB2 CYS 73 - HA ALA 92 far 0 100 0 - 8.5-9.3 HB2 ASP 131 - HA ALA 92 far 0 65 0 - 9.3-11.4 Violated in 3 structures by 0.05 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 3.1-5.1 3.0/10376=69...(16) HB2 CYS 73 - QB ALA 92 far 0 99 0 - 6.0-6.9 Violated in 2 structures by 0.02 A. Peak 11397 from aliabs.peaks (1.15, 4.05, 54.95 ppm; 6.21 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 132 + HA ALA 92 OK 98 98 100 100 5.5-6.3 9947/2.1=92, ~10082=82...(14) QG1 VAL 132 - HA ALA 92 far 0 81 0 - 7.1-8.0 Violated in 1 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 = 1.00: HG3 GLU 91 + HA ALA 92 OK 100 100 100 100 3.1-3.3 7255/2.9=78, ~9914=63...(28) HB2 GLU 128 + HA ALA 92 OK 74 98 75 100 4.3-6.2 10444/2.1=87, ~10447=56...(25) HB VAL 126 - HA ALA 92 far 0 85 0 - 8.9-9.9 Violated in 0 structures by 0.00 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 1.9-3.2 10446=95, 1.8/10447=81...(18) HB VAL 77 - QB ALA 92 far 0 97 0 - 7.3-8.8 HG2 GLN 127 - QB ALA 92 far 0 95 0 - 7.6-8.9 HB3 GLN 134 - QB ALA 92 far 0 100 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 11400 from aliabs.peaks (2.22, 1.43, 18.11 ppm; 3.88 A): 3 out of 6 assignments used, quality = 1.00: HB3 GLU 128 + QB ALA 92 OK 99 99 100 100 1.9-4.2 1.8/10444=69...(14) HG2 GLU 91 + QB ALA 92 OK 94 95 100 100 2.7-3.2 3.0/11316=52...(24) HB3 LEU 96 + QB ALA 92 OK 77 85 100 91 4.0-4.7 11454/10491=27...(14) HB3 GLN 127 - QB ALA 92 far 0 100 0 - 6.4-7.4 HG2 GLU 97 - QB ALA 92 far 0 85 0 - 6.8-9.5 HB3 GLU 97 - QB ALA 92 far 0 100 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 11401 from aliabs.peaks (0.76, 4.05, 54.95 ppm; 5.23 A): 3 out of 4 assignments used, quality = 1.00: QG1 VAL 93 + HA ALA 92 OK 100 100 100 100 5.9-6.1 2.1/9943=75, ~9945=73...(26) QD2 LEU 96 + HA ALA 92 OK 89 99 90 100 5.2-6.3 11806/4.9=59...(15) HG12 ILE 129 + HA ALA 92 OK 34 98 35 100 4.7-6.7 10483/2.1=85, ~10491=82...(25) QD1 LEU 96 - HA ALA 92 far 0 87 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 11402 from aliabs.peaks (0.85, 3.25, 66.70 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.98: QD2 LEU 70 + HA VAL 93 OK 94 99 95 100 3.8-5.2 9485/3.2=62, 9495=59...(20) QG2 ILE 129 + HA VAL 93 OK 65 68 95 100 3.5-5.2 3.0/10461=70...(33) QD2 LEU 69 - HA VAL 93 far 0 90 0 - 5.6-7.6 QD1 LEU 98 - HA VAL 93 far 0 98 0 - 7.0-8.8 QG1 VAL 133 - HA VAL 93 far 0 97 0 - 7.5-10.4 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 5.1-6.1 9485/2.1=95, 9495/3.0=84...(13) QG2 ILE 129 + HB VAL 93 OK 76 76 100 100 4.0-5.4 ~9967=73, ~10487=72...(30) QG1 VAL 133 - HB3 ARG 135 far 3 50 5 - 5.5-8.0 QG1 VAL 133 - HB VAL 93 far 0 99 0 - 7.0-10.2 QD1 LEU 98 - HB VAL 93 far 0 96 0 - 7.3-10.2 QD2 LEU 69 - HB VAL 93 far 0 85 0 - 7.4-9.3 QG2 ILE 129 - HB3 ARG 135 far 0 34 0 - 8.5-10.3 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 4 assignments used, quality = 1.00: QD1 ILE 129 + HB VAL 93 OK 100 100 100 100 3.5-4.3 10487/2.1=99...(28) QD1 LEU 42 - HB VAL 93 far 0 96 0 - 6.6-7.2 QD1 ILE 129 - HB3 ARG 135 far 0 52 0 - 9.4-11.7 QD1 LEU 42 - HB3 ARG 135 far 0 47 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 11405 from aliabs.peaks (0.84, 0.29, 23.10 ppm; 3.35 A): 3 out of 8 assignments used, quality = 0.96: QG2 ILE 129 + QG2 VAL 93 OK 88 89 100 99 1.8-2.8 3.0/9967=55...(34) QD2 LEU 70 + QG2 VAL 93 OK 53 90 60 98 3.7-4.9 11322/2.1=54, 9485=50...(23) QD1 LEU 70 + QG2 VAL 93 OK 29 60 50 97 3.2-6.4 2.1/9485=49...(22) QD2 LEU 69 - QG2 VAL 93 far 0 71 0 - 4.5-6.4 QG1 VAL 133 - QG2 VAL 93 far 0 100 0 - 4.7-7.1 HG13 ILE 80 - QG2 VAL 93 far 0 60 0 - 7.1-8.0 QG2 ILE 80 - QG2 VAL 93 far 0 68 0 - 7.3-8.1 QD1 LEU 98 - QG2 VAL 93 far 0 87 0 - 7.3-9.2 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 = 0.82: QD2 LEU 70 + QG1 VAL 93 OK 73 85 100 86 2.4-3.4 9485/2.1=29, 9495/3.2=20...(21) QD1 LEU 70 + QG1 VAL 93 OK 34 68 55 89 1.8-4.6 ~9485=23, ~9485=21...(22) QG2 ILE 129 - QG1 VAL 93 far 14 93 15 - 3.8-5.0 QD2 LEU 69 - QG1 VAL 93 far 0 63 0 - 5.4-7.1 QD1 LEU 98 - QG1 VAL 93 far 0 81 0 - 5.4-7.9 QG1 VAL 133 - QG1 VAL 93 far 0 100 0 - 6.6-8.8 QG2 ILE 80 - QG1 VAL 93 far 0 76 0 - 8.7-9.6 HG13 ILE 80 - QG1 VAL 93 far 0 68 0 - 8.9-10.0 Violated in 5 structures by 0.04 A. Peak 11407 from aliabs.peaks (1.64, 0.29, 23.10 ppm; 4.39 A): 1 out of 11 assignments used, quality = 0.49: HB2 LEU 69 + QG2 VAL 93 OK 49 93 60 87 3.9-7.5 3.0/11043=43...(9) HG LEU 70 - QG2 VAL 93 far 0 73 0 - 5.6-7.2 QB ALA 88 - QG2 VAL 93 far 0 65 0 - 5.9-6.8 HD3 LYS 95 - QG2 VAL 93 far 0 76 0 - 6.4-8.0 HD2 LYS 95 - QG2 VAL 93 far 0 87 0 - 6.4-8.2 HB2 LEU 122 - QG2 VAL 93 far 0 65 0 - 7.4-10.2 HG LEU 43 - QG2 VAL 93 far 0 99 0 - 8.4-9.7 HB2 LEU 98 - QG2 VAL 93 far 0 97 0 - 8.4-10.7 HD2 LYS 86 - QG2 VAL 93 far 0 83 0 - 8.8-10.4 HD3 LYS 86 - QG2 VAL 93 far 0 89 0 - 9.1-9.9 HD3 LYS 19 - QG2 VAL 93 far 0 96 0 - 9.4-30.6 Violated in 17 structures by 0.95 A. Peak 11408 from aliabs.peaks (1.72, 0.29, 23.10 ppm; 4.03 A): 3 out of 8 assignments used, quality = 0.96: HG13 ILE 129 + QG2 VAL 93 OK 78 78 100 100 1.8-3.3 2.1/9967=89...(22) HG3 ARG 90 + QG2 VAL 93 OK 75 92 85 96 3.6-5.8 3.8/9953=53...(12) HB3 LEU 70 + QG2 VAL 93 OK 34 99 35 99 4.1-6.6 3.0/11419=58...(17) HB2 LEU 70 - QG2 VAL 93 far 0 89 0 - 5.1-7.0 HB ILE 80 - QG2 VAL 93 far 0 95 0 - 7.6-8.7 HG LEU 98 - QG2 VAL 93 far 0 95 0 - 7.8-9.0 HG2 ARG 135 - QG2 VAL 93 far 0 81 0 - 8.8-12.4 HB2 LEU 43 - QG2 VAL 93 far 0 85 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11409 from aliabs.peaks (1.73, 0.75, 21.32 ppm; 4.07 A): 4 out of 6 assignments used, quality = 0.98: HG13 ILE 129 + QG1 VAL 93 OK 76 85 90 100 4.0-5.3 ~9967=56, ~10487=54...(26) HG3 ARG 90 + QG1 VAL 93 OK 73 96 85 89 4.0-6.3 3.8/9962=52...(6) HB3 LEU 70 + QG1 VAL 93 OK 48 97 50 99 2.0-5.8 3.2/11322=54, ~11419=36...(20) HB2 LEU 70 + QG1 VAL 93 OK 41 83 50 99 3.1-6.1 3.2/11322=54, ~11419=36...(19) HG LEU 98 - QG1 VAL 93 far 0 90 0 - 6.1-7.6 HB ILE 80 - QG1 VAL 93 far 0 97 0 - 9.0-10.1 Violated in 1 structures by 0.01 A. Peak 11410 from aliabs.peaks (1.65, 0.75, 21.32 ppm; 4.30 A): 0 out of 9 assignments used, quality = 0.00: HB2 LEU 69 - QG1 VAL 93 poor 20 100 20 - 4.3-8.5 HD2 LYS 95 - QG1 VAL 93 far 0 99 0 - 5.8-8.1 HD3 LYS 95 - QG1 VAL 93 far 0 95 0 - 5.8-7.9 HB2 LEU 98 - QG1 VAL 93 far 0 100 0 - 6.9-9.0 QB ALA 88 - QG1 VAL 93 far 0 89 0 - 7.6-8.3 HD3 LYS 19 - QG1 VAL 93 far 0 100 0 - 8.3-30.3 HD2 LYS 19 - QG1 VAL 93 far 0 100 0 - 9.3-30.6 HD2 LYS 86 - QG1 VAL 93 far 0 97 0 - 9.6-11.0 HD3 LYS 86 - QG1 VAL 93 far 0 99 0 - 9.7-11.1 Violated in 19 structures by 0.61 A. Peak 11411 from aliabs.peaks (1.94, 0.29, 23.10 ppm; 4.21 A): 0 out of 5 assignments used, quality = 0.00: HB3 ARG 90 - QG2 VAL 93 poor 20 99 20 - 4.2-5.8 HB2 LYS 95 - QG2 VAL 93 far 0 99 0 - 6.0-6.5 HB3 LYS 95 - QG2 VAL 93 far 0 100 0 - 7.2-7.7 HB3 LYS 86 - QG2 VAL 93 far 0 96 0 - 8.6-9.4 HB ILE 37 - QG2 VAL 93 far 0 73 0 - 9.1-10.5 Violated in 18 structures by 0.65 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 3.7-4.4 3.2/9967=80...(24) HG2 ARG 90 + QG2 VAL 93 OK 63 99 65 98 4.4-5.7 3.8/9953=62...(10) HB3 GLU 91 - QG2 VAL 93 far 0 89 0 - 6.2-7.8 HB2 GLU 91 - QG2 VAL 93 far 0 81 0 - 6.2-7.3 HG3 ARG 135 - QG2 VAL 93 far 0 89 0 - 9.2-11.2 HB2 GLN 134 - QG2 VAL 93 far 0 100 0 - 9.8-12.1 QE MET 11 - QG2 VAL 93 far 0 96 0 - 9.9-36.1 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 4.1-4.9 2.1/9969=88...(11) HG2 GLU 128 - QG2 VAL 93 poor 20 78 25 - 5.3-7.0 HG2 GLN 127 - QG2 VAL 93 far 0 83 0 - 9.3-10.0 Violated in 2 structures by 0.00 A. Peak 11414 from aliabs.peaks (3.16, 0.75, 21.32 ppm; 4.58 A): 0 out of 4 assignments used, quality = 0.00: HD3 ARG 90 - QG1 VAL 93 poor 20 100 20 - 3.8-6.6 HD2 ARG 90 - QG1 VAL 93 far 15 100 15 - 4.7-7.2 HB3 TYR 76 - QG1 VAL 93 far 0 63 0 - 5.9-7.9 HB2 HIS 8 - QG1 VAL 93 far 0 97 0 - 9.7-48.4 Violated in 17 structures by 0.60 A. Peak 11415 from aliabs.peaks (3.16, 0.29, 23.10 ppm; 4.48 A): 0 out of 3 assignments used, quality = 0.00: HD3 ARG 90 - QG2 VAL 93 far 15 100 15 - 2.6-7.0 HD2 ARG 90 - QG2 VAL 93 far 15 100 15 - 4.1-7.3 HB3 TYR 76 - QG2 VAL 93 far 9 63 15 - 4.5-6.9 Violated in 17 structures by 0.64 A. Peak 11416 from aliabs.peaks (3.46, 0.75, 21.32 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.39: HA VAL 126 + QG1 VAL 93 OK 39 76 80 65 5.9-6.6 9957/2.1=20...(6) HA ILE 129 - QG1 VAL 93 far 15 100 15 - 6.2-7.2 HA VAL 77 - QG1 VAL 93 far 0 99 0 - 6.6-7.4 HA LEU 42 - QG1 VAL 93 far 0 97 0 - 8.0-9.6 Violated in 20 structures by 0.78 A. Peak 11417 from aliabs.peaks (3.79, 3.25, 66.70 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.97: HA ARG 90 + HA VAL 93 OK 97 97 100 100 4.6-5.1 2793/3.0=81...(11) HA GLU 97 - HA VAL 93 far 3 65 5 - 5.8-6.5 HB2 SER 99 - HA VAL 93 far 0 63 0 - 8.0-9.9 HA SER 130 - HA VAL 93 far 0 90 0 - 9.2-9.9 HB3 SER 130 - HA VAL 93 far 0 89 0 - 9.2-10.8 Violated in 12 structures by 0.03 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 5.0-5.3 2.9/7311=83...(31) 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 - 6.2-6.4 HA LEU 122 - HA VAL 93 far 0 99 0 - 6.7-8.0 HB2 SER 74 - HA VAL 93 far 0 99 0 - 7.4-10.5 HB3 SER 74 - HA VAL 93 far 0 96 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 11419 from aliabs.peaks (3.90, 0.29, 23.10 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.71: HA LEU 70 + QG2 VAL 93 OK 71 73 100 97 2.9-4.5 4.0/9485=49, 9484=39...(17) HB2 SER 94 - QG2 VAL 93 far 0 99 0 - 5.5-6.0 HA LYS 86 - QG2 VAL 93 far 0 87 0 - 6.2-7.1 HA ALA 46 - QG2 VAL 93 far 0 95 0 - 6.8-8.2 HA3 GLY 75 - QG2 VAL 93 far 0 96 0 - 7.5-9.2 Violated in 7 structures by 0.07 A. Peak 11420 from aliabs.peaks (3.91, 0.75, 21.32 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.86: HB2 SER 94 + QG1 VAL 93 OK 86 95 100 91 3.5-4.1 3.0/9963=54, 3.6/7283=52...(7) HA3 GLY 75 - QG1 VAL 93 far 0 85 0 - 7.3-9.2 HA LYS 86 - QG1 VAL 93 far 0 71 0 - 7.6-8.6 HA ALA 46 - QG1 VAL 93 far 0 83 0 - 8.1-9.4 HA2 GLY 14 - QG1 VAL 93 far 0 99 0 - 8.9-36.9 HA3 GLY 14 - QG1 VAL 93 far 0 99 0 - 9.1-36.7 Violated in 7 structures by 0.04 A. Peak 11421 from aliabs.peaks (4.06, 0.75, 21.32 ppm; 4.07 A): 2 out of 6 assignments used, quality = 0.87: HB2 SER 74 + QG1 VAL 93 OK 82 99 95 88 3.5-6.1 3.0/9590=53, 3.9/9575=31...(8) HB3 SER 74 + QG1 VAL 93 OK 26 100 30 88 4.7-6.9 3.0/9590=53, 3.9/9575=31...(9) HA PHE 89 - QG1 VAL 93 far 0 78 0 - 5.7-6.6 HA LEU 96 - QG1 VAL 93 far 0 97 0 - 5.7-6.2 HA ALA 92 - QG1 VAL 93 far 0 98 0 - 5.9-6.1 HA LEU 122 - QG1 VAL 93 far 0 73 0 - 7.6-8.5 Violated in 8 structures by 0.17 A. Peak 11422 from aliabs.peaks (4.36, 0.75, 21.32 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.89: HA CYS 73 + QG1 VAL 93 OK 89 89 100 100 4.4-5.4 9955/2.1=83, 3.0/9961=75...(20) HA LEU 69 - QG1 VAL 93 far 10 96 10 - 5.5-8.2 HA CYS 125 - QG1 VAL 93 far 0 100 0 - 7.5-8.2 HA ASP 78 - QG1 VAL 93 far 0 73 0 - 9.0-10.1 Violated in 17 structures by 0.30 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...(20) H GLY 75 - HA VAL 93 far 0 63 0 - 9.3-11.4 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 2.0-3.5 2.2/9923=63, 2.2/9924=61...(23) Violated in 0 structures by 0.00 A. Peak 11425 from aliabs.peaks (8.27, 0.29, 23.10 ppm; 4.54 A): 1 out of 7 assignments used, quality = 0.99: H LEU 96 + QG2 VAL 93 OK 99 99 100 100 4.7-5.0 11432/2.1=72...(28) H LEU 69 - QG2 VAL 93 far 0 60 0 - 6.0-8.1 H VAL 126 - QG2 VAL 93 far 0 97 0 - 6.1-7.1 H ASP 131 - QG2 VAL 93 far 0 100 0 - 6.9-7.7 H SER 99 - QG2 VAL 93 far 0 78 0 - 8.2-9.2 H LEU 43 - QG2 VAL 93 far 0 87 0 - 8.4-9.0 H LEU 123 - QG2 VAL 93 far 0 100 0 - 9.6-10.9 Violated in 20 structures by 0.31 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 4.0-4.7 9566=98, 2.9/9955=97...(22) Violated in 0 structures by 0.00 A. Peak 11427 from aliabs.peaks (7.83, 0.75, 21.32 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.92: H ALA 92 + QG1 VAL 93 OK 92 92 100 100 5.4-5.6 9936/2.1=81, 9939/2.1=73...(20) H GLN 68 - QG1 VAL 93 far 0 60 0 - 7.6-9.6 H ALA 88 - QG1 VAL 93 far 0 76 0 - 9.1-9.6 H GLU 102 - QG1 VAL 93 far 0 76 0 - 9.3-10.9 Violated in 20 structures by 0.43 A. Peak 11428 from aliabs.peaks (7.74, 0.75, 21.32 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.90: H LEU 98 + QG1 VAL 93 OK 90 98 95 97 5.1-6.1 3146/9972=48...(12) Violated in 19 structures by 0.58 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 3.6-5.0 11424/2.1=91, ~9923=60...(12) Violated in 2 structures by 0.02 A. Peak 11430 from aliabs.peaks (7.32, 0.75, 21.32 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.92: HZ PHE 89 + QG1 VAL 93 OK 87 97 90 100 4.5-6.6 9923/2.1=83...(10) HE ARG 90 + QG1 VAL 93 OK 39 78 55 91 2.6-7.7 2.9/10697=73...(4) QD PHE 87 - QG1 VAL 93 far 0 100 0 - 8.8-10.1 Violated in 9 structures by 0.15 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 3 65 5 - 6.8-8.3 Violated in 20 structures by 1.65 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 4.1-4.5 11425/2.1=77...(25) H SER 99 - QG1 VAL 93 far 0 71 0 - 6.8-8.0 H VAL 126 - QG1 VAL 93 far 0 95 0 - 7.3-8.1 H ASP 131 - QG1 VAL 93 far 0 99 0 - 9.4-10.2 H LEU 43 - QG1 VAL 93 far 0 81 0 - 9.8-11.2 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 - 5.6-5.9 H ALA 46 - QG1 VAL 93 far 0 73 0 - 8.9-10.3 Violated in 20 structures by 1.08 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 2.8-3.2 9963=100, 7283/2.9=91...(23) QD2 LEU 96 + HA SER 94 OK 99 100 100 99 5.0-5.9 3098/7334=60...(11) QD1 LEU 96 - HA SER 94 far 0 76 0 - 6.0-7.1 HG12 ILE 129 - HA SER 124 far 0 93 0 - 7.0-9.9 QD1 LEU 96 - HA SER 124 far 0 66 0 - 7.1-8.2 QD2 LEU 96 - HA SER 124 far 0 93 0 - 7.9-8.5 HG12 ILE 129 - HA SER 94 far 0 100 0 - 8.4-9.7 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 9 assignments used, quality = 1.00: QD2 LEU 70 + HA SER 94 OK 93 93 100 100 4.6-5.5 11109/3117=72...(16) QD2 LEU 98 + HA SER 94 OK 88 97 100 91 4.2-5.7 11470/4.9=69...(5) QD2 LEU 123 + HA SER 124 OK 87 87 100 100 3.8-5.7 7766/2.9=80...(23) QD1 LEU 98 + HA SER 94 OK 74 96 85 91 3.8-7.2 11469/4.9=61, ~11438=49...(8) QD2 LEU 69 - HA SER 124 far 0 92 0 - 8.2-10.0 QG1 VAL 118 - HA SER 124 far 0 68 0 - 8.7-10.0 QD2 LEU 69 - HA SER 94 far 0 100 0 - 9.0-10.8 QG1 VAL 118 - HA SER 94 far 0 78 0 - 9.7-11.0 QD2 LEU 98 - HA SER 124 far 0 87 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 11436 from aliabs.peaks (1.39, 3.90, 63.10 ppm; 4.83 A): 1 out of 15 assignments used, quality = 0.50: QB ALA 34 + HB2 SER 33 OK 50 50 100 100 4.4-5.0 10784/1.8=91...(11) HG2 LYS 95 - HB2 SER 94 far 10 100 10 - 5.2-7.4 HG3 LYS 95 - HB2 SER 94 far 10 99 10 - 5.3-7.2 HG3 LYS 31 - HB2 SER 33 far 7 71 10 - 5.4-8.9 HG3 LYS 26 - HB2 SER 33 far 7 67 10 - 4.6-18.8 HG2 LYS 36 - HB2 SER 33 far 3 66 5 - 3.4-8.3 QB ALA 29 - HB2 SER 33 far 0 64 0 - 6.1-9.5 HB2 LEU 96 - HB2 SER 94 far 0 96 0 - 6.9-9.3 HG LEU 96 - HB2 SER 94 far 0 100 0 - 7.0-8.2 QB ALA 15 - HB2 SER 33 far 0 67 0 - 8.3-25.5 QB ALA 16 - HB2 SER 33 far 0 74 0 - 8.4-24.0 QB ALA 28 - HB2 SER 33 far 0 70 0 - 8.4-11.8 HG2 LYS 19 - HB2 SER 33 far 0 50 0 - 8.5-23.5 HG2 LYS 24 - HB2 SER 33 far 0 61 0 - 8.7-25.2 QB ALA 16 - HB2 SER 94 far 0 100 0 - 9.0-36.8 Violated in 5 structures by 0.02 A. Peak 11437 from aliabs.peaks (0.79, 3.90, 63.10 ppm; 5.25 A): 1 out of 6 assignments used, quality = 0.51: QD1 ILE 37 + HB2 SER 33 OK 51 56 100 92 3.6-5.8 10863/1.8=78...(10) QD1 LEU 70 - HB2 SER 94 poor 18 71 25 - 5.3-8.1 QD1 ILE 32 - HB2 SER 33 far 6 56 10 - 6.0-7.1 QD1 LEU 96 - HB2 SER 94 far 0 93 0 - 7.9-8.7 QD2 LEU 122 - HB2 SER 94 far 0 100 0 - 9.2-11.7 QD1 LEU 122 - HB2 SER 94 far 0 85 0 - 9.7-12.2 Violated in 1 structures by 0.03 A. Peak 11438 from aliabs.peaks (0.90, 3.90, 63.10 ppm; 5.26 A): 1 out of 4 assignments used, quality = 0.47: QD2 LEU 98 + HB2 SER 94 OK 47 85 90 61 4.6-6.3 11335/3.0=26...(6) QD1 LEU 22 - HB2 SER 33 far 0 64 0 - 7.2-22.6 QG1 VAL 20 - HB2 SER 33 far 0 71 0 - 7.5-19.6 QG2 VAL 20 - HB2 SER 33 far 0 70 0 - 7.6-21.0 Violated in 16 structures by 0.51 A. Peak 11439 from aliabs.peaks (8.49, 4.02, 59.53 ppm; 6.03 A): 2 out of 2 assignments used, quality = 0.99: H GLU 97 + HA LYS 95 OK 99 99 100 100 3.9-4.4 7330/3.6=97, 7308/2.9=87...(14) H LEU 100 + HA LYS 95 OK 48 100 50 96 6.2-7.6 7390/2961=47...(12) Violated in 0 structures by 0.00 A. Peak 11440 from aliabs.peaks (0.87, 4.02, 59.53 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 98 + HA LYS 95 OK 99 99 100 100 2.5-4.4 11469=84, 2.1/11470=82...(21) QD2 LEU 98 + HA LYS 95 OK 92 92 100 100 1.9-3.4 11470=87, 2.1/11468=66...(23) QD2 LEU 70 - HA LYS 95 far 0 97 0 - 6.3-7.2 QG1 VAL 118 - HA LYS 95 far 0 68 0 - 7.4-9.0 QD2 LEU 69 - HA LYS 95 far 0 100 0 - 9.6-11.6 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 6 assignments used, quality = 0.00: QD2 LEU 122 - HA LYS 95 far 4 78 5 - 5.7-8.5 QG1 VAL 93 - HA LYS 95 far 0 93 0 - 6.0-6.3 QD2 LEU 96 - HA LYS 95 far 0 92 0 - 6.2-6.8 QD1 LEU 96 - HA LYS 95 far 0 98 0 - 6.4-6.8 HG12 ILE 129 - HA LYS 95 far 0 87 0 - 9.2-9.9 QD1 LEU 103 - HA LYS 95 far 0 89 0 - 9.6-12.1 Violated in 20 structures by 0.27 A. Peak 11442 from aliabs.peaks (0.86, 1.94, 32.11 ppm; 4.44 A): 2 out of 17 assignments used, quality = 0.97: QD2 LEU 98 + HB2 LYS 95 OK 82 87 95 100 4.0-5.8 11470/3.0=67, ~11469=44...(43) QD2 LEU 98 + HB3 LYS 95 OK 81 86 95 100 3.0-5.5 11470/3.0=67, ~11469=44...(39) QD1 LEU 98 - HB3 LYS 95 far 15 99 15 - 3.9-6.4 QD1 LEU 98 - HB2 LYS 95 far 5 100 5 - 4.8-6.8 QG1 VAL 133 - HB3 PRO 81 far 5 31 15 - 4.4-11.4 QG2 VAL 57 - HB2 PRO 58 far 0 83 0 - 6.1-6.2 QD2 LEU 70 - HB2 LYS 95 far 0 99 0 - 6.7-7.8 QD1 LEU 22 - HB2 PRO 58 far 0 59 0 - 6.9-41.7 QD2 LEU 70 - HB3 LYS 95 far 0 98 0 - 7.0-8.1 QG1 VAL 118 - HB3 LYS 95 far 0 59 0 - 7.1-9.2 QG1 VAL 118 - HB2 LYS 95 far 0 60 0 - 8.2-10.2 QD2 LEU 69 - HB2 LYS 95 far 0 100 0 - 8.9-10.9 QD2 LEU 22 - HB2 PRO 58 far 0 59 0 - 9.1-39.6 QD2 LEU 69 - HB3 LYS 95 far 0 100 0 - 9.2-11.4 QG1 VAL 118 - HB2 PRO 58 far 0 45 0 - 9.5-11.4 QD2 LEU 123 - HB2 LYS 95 far 0 87 0 - 9.6-12.4 QD2 LEU 123 - HB3 LYS 95 far 0 86 0 - 9.7-11.6 Violated in 1 structures by 0.03 A. Peak 11443 from aliabs.peaks (0.77, 1.94, 32.11 ppm; 5.09 A): 2 out of 22 assignments used, quality = 0.74: QD2 LEU 96 + HB2 LYS 95 OK 55 78 80 88 5.1-6.2 9980/4.0=29, 5.1/7316=27...(17) QG1 VAL 93 + HB2 LYS 95 OK 43 81 60 89 5.9-6.2 4.3/9221=44...(10) QD2 LEU 122 - HB3 LYS 95 far 14 91 15 - 5.3-8.4 QD2 LEU 122 - HB2 LYS 95 far 5 92 5 - 5.8-9.0 QD2 LEU 96 - HB3 LYS 95 far 4 77 5 - 5.9-6.7 QD1 LEU 96 - HB2 LYS 95 far 0 100 0 - 6.1-6.7 QD1 LEU 96 - HB3 LYS 95 far 0 100 0 - 6.1-7.2 QD1 LEU 103 - HB2 PRO 58 far 0 81 0 - 6.4-9.1 QD2 LEU 119 - HB2 PRO 58 far 0 69 0 - 6.6-11.3 HG12 ILE 129 - HB2 LYS 95 far 0 71 0 - 6.7-7.9 QG1 VAL 93 - HB3 LYS 95 far 0 80 0 - 6.8-7.1 QG1 VAL 63 - HB2 PRO 58 far 0 80 0 - 7.6-8.2 QD2 LEU 43 - HB3 PRO 81 far 0 28 0 - 7.8-14.3 HG12 ILE 129 - HB3 LYS 95 far 0 70 0 - 8.0-8.9 QD2 LEU 49 - HB3 LYS 95 far 0 67 0 - 8.9-11.2 QD2 LEU 49 - HB2 PRO 58 far 0 52 0 - 9.1-12.1 QD2 LEU 49 - HB2 LYS 95 far 0 68 0 - 9.2-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 78 0 - 9.2-13.1 QD1 LEU 53 - HB2 PRO 58 far 0 61 0 - 9.3-13.7 QD1 LEU 53 - HB3 LYS 95 far 0 77 0 - 9.3-12.7 QD2 LEU 122 - HB2 PRO 58 far 0 74 0 - 9.4-12.7 QD1 LEU 103 - HB3 LYS 95 far 0 97 0 - 9.9-12.4 Violated in 11 structures by 0.09 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 - HG3 LYS 95 far 0 72 0 - 6.8-10.1 QD2 LEU 122 - HG2 LYS 95 far 0 73 0 - 7.3-10.2 QG2 ILE 129 - HG2 LYS 95 far 0 93 0 - 7.4-10.8 QD1 LEU 70 - HG2 LYS 95 far 0 100 0 - 7.6-11.0 QD1 LEU 70 - HG3 LYS 95 far 0 100 0 - 8.3-10.4 QG2 ILE 129 - HG3 LYS 95 far 0 92 0 - 8.4-11.2 QD1 LEU 122 - HG3 LYS 95 far 0 99 0 - 8.6-10.6 QD1 LEU 122 - HG2 LYS 95 far 0 100 0 - 8.8-11.0 Violated in 20 structures by 2.53 A. Peak 11447 from aliabs.peaks (3.20, 1.94, 32.11 ppm; 4.90 A): 2 out of 7 assignments used, quality = 1.00: HB3 CYS 125 + HB3 LYS 95 OK 98 99 100 99 4.3-5.7 11658=50, 1.8/11652=46...(15) HB3 CYS 125 + HB2 LYS 95 OK 89 100 90 99 4.3-6.3 11658=50, 11658/1.8=43...(16) HD3 ARG 135 - HB3 PRO 81 far 1 24 5 - 5.8-14.3 HB2 HIS 5 - HB3 LYS 95 far 0 62 0 - 6.3-69.0 HD3 ARG 84 - HB3 PRO 81 far 0 42 0 - 6.8-12.6 HB2 HIS 5 - HB2 LYS 95 far 0 63 0 - 7.6-69.1 HD2 ARG 84 - HB3 PRO 81 far 0 42 0 - 8.0-11.8 Violated in 2 structures by 0.04 A. Peak 11448 from aliabs.peaks (3.19, 1.39, 25.38 ppm; 5.79 A): 1 out of 4 assignments used, quality = 0.22: HB3 CYS 125 + HG2 LYS 95 OK 22 96 25 93 6.3-7.9 11597/3.0=43...(9) HB3 CYS 125 - HG3 LYS 95 far 10 97 10 - 6.6-8.1 HD2 ARG 90 - HG2 LYS 95 far 0 72 0 - 9.1-14.2 HD3 ARG 90 - HG2 LYS 95 far 0 64 0 - 9.3-13.6 Violated in 20 structures by 1.12 A. Peak 11449 from aliabs.peaks (3.18, 1.66, 28.97 ppm; 4.52 A): 0 out of 28 assignments used, quality = 0.00: HD2 ARG 23 - HD3 LYS 24 far 7 70 10 - 3.6-11.1 HD3 ARG 23 - HD3 LYS 24 far 7 65 10 - 4.6-11.1 HD3 ARG 23 - HD2 LYS 26 far 4 84 5 - 5.4-15.9 HD3 ARG 23 - HD3 LYS 31 far 4 83 5 - 5.3-21.6 HD3 ARG 23 - HD3 LYS 26 far 4 82 5 - 4.5-15.9 HD2 ARG 23 - HD2 LYS 24 far 4 74 5 - 5.2-11.2 HD3 ARG 23 - HD2 LYS 24 far 0 69 0 - 5.8-10.7 HD2 ARG 23 - HD3 LYS 26 far 0 88 0 - 5.9-15.3 HD2 ARG 23 - HD2 LYS 26 far 0 89 0 - 6.1-15.4 HD2 ARG 23 - HD3 LYS 19 far 0 50 0 - 6.3-13.1 HB3 CYS 125 - HD2 LYS 95 far 0 73 0 - 6.4-9.3 HB3 CYS 125 - HD3 LYS 95 far 0 76 0 - 6.5-9.4 HD2 ARG 23 - HD3 LYS 31 far 0 89 0 - 6.5-22.5 HB2 HIS 10 - HD2 LYS 19 far 0 64 0 - 6.6-26.0 HD2 ARG 23 - HD2 LYS 19 far 0 54 0 - 6.6-13.1 HD3 ARG 23 - HD2 LYS 31 far 0 82 0 - 6.7-21.0 HB2 HIS 10 - HD3 LYS 19 far 0 60 0 - 7.3-25.0 HD3 ARG 23 - HD3 LYS 19 far 0 46 0 - 7.4-12.5 HD3 ARG 23 - HD2 LYS 19 far 0 50 0 - 7.5-13.0 HD2 ARG 23 - HD2 LYS 31 far 0 87 0 - 7.7-21.9 HD2 ARG 90 - HD2 LYS 95 far 0 93 0 - 8.2-13.4 HD3 ARG 90 - HD3 LYS 95 far 0 92 0 - 8.4-12.0 HD3 ARG 90 - HD2 LYS 95 far 0 89 0 - 8.5-12.1 HB2 HIS 10 - HD2 LYS 24 far 0 85 0 - 8.6-35.1 HD2 ARG 90 - HD3 LYS 95 far 0 96 0 - 9.1-12.9 HB3 HIS 3 - HD2 LYS 95 far 0 86 0 - 9.4-76.6 HB2 HIS 8 - HD3 LYS 95 far 0 65 0 - 9.8-64.2 HB2 HIS 10 - HD3 LYS 24 far 0 81 0 - 9.9-35.4 Violated in 16 structures by 0.70 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 2.9-3.9 11691/2.1=95...(33) 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 2.5-3.6 11809/2.1=69, ~3098=38...(39) HB2 SER 99 + QD1 LEU 96 OK 48 99 65 75 4.2-5.7 3208/4.0=23, 4.5/3106=19...(14) HB3 SER 130 - QD1 LEU 96 far 0 100 0 - 8.0-9.1 HA SER 130 - QD1 LEU 96 far 0 99 0 - 8.5-9.7 HA LEU 43 - QD1 LEU 96 far 0 97 0 - 8.6-9.8 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 3.2-4.1 11807/2.1=75...(25) HB3 HIS 67 - QD1 LEU 96 far 0 89 0 - 5.8-7.6 HA ILE 129 - QD1 LEU 96 far 0 57 0 - 7.2-8.1 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 4 assignments used, quality = 0.99: HB VAL 126 + QD1 LEU 96 OK 97 100 100 97 3.9-4.4 3.0/11452=57, ~11807=37...(16) HB2 GLU 97 + QD1 LEU 96 OK 68 81 85 100 3.8-5.6 11461/2.1=47...(32) HG3 GLU 91 - QD1 LEU 96 far 0 81 0 - 9.5-10.4 HB3 GLN 61 - QD1 LEU 96 far 0 96 0 - 9.8-12.0 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 4 assignments used, quality = 1.00: QD1 ILE 129 + HB3 LEU 96 OK 100 100 100 100 2.7-3.5 9982/3.8=72, 10492=68...(32) QD2 LEU 100 - HB3 LEU 96 far 3 60 5 - 6.1-8.5 QD1 LEU 42 - HB3 LEU 96 far 0 90 0 - 7.9-8.9 QD2 LEU 62 - HB3 LEU 96 far 0 65 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 11455 from aliabs.peaks (8.27, 3.76, 59.92 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: H LEU 96 + HA GLU 97 OK 99 99 100 100 5.0-5.3 7330/2.8=97...(14) H SER 99 + HA GLU 97 OK 72 73 100 98 3.9-4.9 7375/3.6=55, 3.4/3114=43...(15) H VAL 126 - HA GLU 97 far 0 96 0 - 7.8-8.7 H LEU 123 - HA GLU 97 far 0 100 0 - 8.7-10.5 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 5 assignments used, quality = 0.98: HA SER 94 + HG3 GLU 97 OK 98 98 100 100 1.9-4.7 11457/1.8=93...(12) HB3 SER 38 - HG3 GLU 40 poor 18 73 30 84 3.8-7.8 9046/3.0=49...(4) HA HIS 67 - HG3 GLU 97 far 8 78 10 - 4.7-9.3 HA SER 99 - HG3 GLU 97 far 0 100 0 - 7.1-9.5 HA ALA 34 - HG3 GLU 40 far 0 71 0 - 8.6-15.6 Violated in 2 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 = 0.92: HA SER 94 + HG2 GLU 97 OK 92 100 95 97 1.9-5.9 3117/2.9=59...(14) HA HIS 67 - HG2 GLU 97 far 0 63 0 - 5.3-9.3 HA SER 99 - HG2 GLU 97 far 0 97 0 - 7.1-9.1 Violated in 3 structures by 0.12 A. Peak 11458 from aliabs.peaks (4.26, 3.76, 59.92 ppm; 4.75 A): 0 out of 2 assignments used, quality = 0.00: HA SER 94 - HA GLU 97 poor 18 71 25 - 5.4-6.2 HA SER 74 - HA GLU 97 far 0 71 0 - 7.9-11.8 Violated in 20 structures by 0.98 A. Peak 11460 from aliabs.peaks (1.41, 2.22, 28.66 ppm; 4.84 A): 2 out of 12 assignments used, quality = 0.97: HG LEU 96 + HB3 GLU 97 OK 89 89 100 100 3.3-4.9 11461/1.8=82, ~11809=50...(40) QB ALA 92 + HB3 GLU 128 OK 73 73 100 100 1.9-4.2 10444/1.8=82...(14) HG2 LYS 86 - HB2 GLN 82 far 0 48 0 - 6.7-9.0 QB ALA 109 - HB3 GLU 102 far 0 56 0 - 7.0-11.0 HG3 LYS 95 - HB3 GLU 97 far 0 60 0 - 7.1-9.9 HG3 LYS 95 - HB3 GLU 128 far 0 45 0 - 7.5-11.2 HG2 LYS 95 - HB3 GLU 128 far 0 51 0 - 7.8-10.3 QB ALA 92 - HB3 GLU 97 far 0 92 0 - 8.3-9.3 HG2 LYS 95 - HB3 GLU 97 far 0 68 0 - 8.4-10.4 HG LEU 96 - HB3 GLU 128 far 0 70 0 - 8.8-11.1 QB ALA 16 - HB3 GLU 97 far 0 76 0 - 9.3-33.8 HG LEU 96 - HB3 GLU 102 far 0 78 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 11461 from aliabs.peaks (1.41, 2.13, 28.66 ppm; 4.67 A): 1 out of 6 assignments used, quality = 0.97: HG LEU 96 + HB2 GLU 97 OK 97 97 100 100 3.1-4.9 9488/11111=51, ~11809=47...(33) HB2 LEU 96 - HB2 GLU 97 far 0 63 0 - 5.9-7.0 HG3 LYS 95 - HB2 GLU 97 far 0 76 0 - 6.6-9.4 HG2 LYS 95 - HB2 GLU 97 far 0 83 0 - 7.3-10.3 QB ALA 92 - HB2 GLU 97 far 0 81 0 - 7.5-9.3 QB ALA 16 - HB2 GLU 97 far 0 89 0 - 9.8-34.3 Violated in 3 structures by 0.01 A. Peak 11462 from aliabs.peaks (1.81, 2.22, 28.66 ppm; 4.83 A): 2 out of 14 assignments used, quality = 0.75: HB2 LEU 100 + HB3 GLU 97 OK 54 98 55 100 3.8-6.5 3115/3.0=77...(33) HB2 ARG 84 + HB2 GLN 82 OK 46 47 100 99 2.7-5.3 7091/9778=68...(13) HB3 LEU 103 - HB3 GLU 102 far 4 72 5 - 5.7-6.9 HB3 ARG 135 - HB2 GLN 82 far 2 47 5 - 5.6-8.6 HB2 LYS 86 - HB2 GLN 82 far 0 35 0 - 5.9-8.8 HB3 LEU 122 - HB3 GLU 102 far 0 66 0 - 6.5-12.0 HB VAL 93 - HB3 GLU 97 far 0 92 0 - 6.7-8.2 HB2 LEU 100 - HB3 GLU 102 far 0 89 0 - 6.9-9.1 HB3 LEU 122 - HB3 GLU 97 far 0 76 0 - 7.1-10.8 HB VAL 93 - HB3 GLU 128 far 0 73 0 - 7.3-10.2 HB3 LEU 103 - HB3 GLU 97 far 0 83 0 - 8.7-13.2 HB3 ARG 135 - HB3 GLU 128 far 0 84 0 - 9.0-12.8 HB2 CYS 79 - HB2 GLN 82 far 0 37 0 - 9.8-12.0 HB3 LEU 122 - HB3 GLU 128 far 0 58 0 - 9.9-12.6 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 6 assignments used, quality = 0.22: HB2 ASN 85 + HB2 GLN 82 OK 22 25 90 100 2.9-5.8 1.8/11464=75...(15) HB2 CYS 125 - HB3 GLU 128 far 7 74 10 - 5.4-7.9 HB2 CYS 125 - HB3 GLU 97 far 0 93 0 - 7.7-9.0 HB2 CYS 73 - HB3 GLU 97 far 0 78 0 - 8.0-9.9 HB2 ASN 85 - HB3 GLU 128 far 0 49 0 - 9.0-13.5 HB2 CYS 73 - HB3 GLU 128 far 0 60 0 - 9.4-12.1 Violated in 5 structures by 0.20 A. Peak 11464 from aliabs.peaks (2.83, 2.22, 28.66 ppm; 5.00 A): 1 out of 7 assignments used, quality = 0.43: HB3 ASN 85 + HB2 GLN 82 OK 43 45 95 100 3.5-5.9 1.8/11463=84...(16) HB2 ASN 121 - HB3 GLU 102 far 0 51 0 - 6.2-10.3 HB2 ASN 116 - HB3 GLU 102 far 0 68 0 - 6.3-11.3 HB3 ASP 71 - HB3 GLU 97 far 0 83 0 - 8.5-12.2 HB3 ASN 85 - HB3 GLU 128 far 0 82 0 - 9.3-12.6 HB2 ASN 121 - HB3 GLU 97 far 0 60 0 - 9.6-12.0 HB2 ASN 121 - HB3 GLU 128 far 0 45 0 - 9.8-12.9 Violated in 11 structures by 0.31 A. Peak 11465 from aliabs.peaks (1.21, 4.11, 57.89 ppm; 6.52 A): 3 out of 5 assignments used, quality = 0.97: QG2 THR 65 + HA LEU 48 OK 85 85 100 100 4.1-5.3 9204/3.7=90...(18) QG2 THR 65 + HA LEU 49 OK 75 75 100 100 2.0-3.4 10966/4.1=96...(19) QG2 THR 54 + HA LEU 49 OK 28 45 95 65 6.3-7.5 9250/6656=33...(6) QG2 THR 54 - HA LEU 48 poor 16 52 30 - 7.2-7.9 QG2 THR 65 - HA GLN 104 far 0 46 0 - 10.0-12.2 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 2 assignments used, quality = 0.00: QG2 THR 25 - HB2 LEU 48 far 4 82 5 - 5.2-31.5 QB ALA 41 - HB2 LEU 48 far 0 81 0 - 7.6-10.2 Violated in 20 structures by 3.95 A. 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 3.2-4.8 9441=90, 10991/3.0=85...(15) QG2 THR 54 - HG LEU 48 far 0 74 0 - 9.0-10.2 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 99 100 100 100 1.9-3.6 11470/2.1=84...(20) HB3 SER 99 - HG LEU 98 far 12 78 15 - 3.2-8.1 HA GLU 44 - HG LEU 48 far 0 74 0 - 5.7-7.3 HA LEU 122 - HG LEU 98 far 0 83 0 - 6.0-9.8 HA GLU 102 - HG LEU 98 far 0 60 0 - 8.0-10.7 HA SER 50 - HG LEU 48 far 0 72 0 - 8.5-9.2 HA LEU 103 - HG LEU 98 far 0 100 0 - 9.1-12.6 HA LEU 119 - HG LEU 98 far 0 99 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 11469 from aliabs.peaks (4.02, 0.86, 23.69 ppm; 3.94 A): 1 out of 7 assignments used, quality = 0.98: HA LYS 95 + QD1 LEU 98 OK 98 99 100 99 2.5-4.4 11468/2.1=71...(21) HB3 SER 99 - QD1 LEU 98 far 13 85 15 - 3.6-7.4 HA LEU 122 - QD1 LEU 98 far 0 76 0 - 6.4-9.4 HA LEU 103 - QD1 LEU 98 far 0 100 0 - 6.9-11.0 HA LEU 119 - QD1 LEU 98 far 0 98 0 - 8.6-12.4 HB2 SER 124 - QD1 LEU 98 far 0 65 0 - 8.7-12.3 HB3 SER 124 - QD1 LEU 98 far 0 100 0 - 9.4-13.7 Violated in 13 structures by 0.15 A. Peak 11470 from aliabs.peaks (4.02, 0.88, 24.09 ppm; 3.22 A): 1 out of 12 assignments used, quality = 0.96: HA LYS 95 + QD2 LEU 98 OK 96 100 100 96 1.9-3.4 11468/2.1=48...(15) HB3 SER 99 - QD2 LEU 98 far 0 71 0 - 4.5-7.1 HA LEU 122 - QD2 LEU 98 far 0 89 0 - 6.3-8.5 HA SER 50 - QD2 LEU 48 far 0 44 0 - 6.3-7.1 HA GLU 44 - QD2 LEU 48 far 0 57 0 - 6.6-7.6 HA GLU 102 - QD2 LEU 98 far 0 68 0 - 7.5-9.5 HA GLN 68 - QD2 LEU 48 far 0 55 0 - 8.6-11.1 HB3 SER 124 - QD2 LEU 98 far 0 97 0 - 8.8-11.7 HA LEU 119 - QD2 LEU 48 far 0 75 0 - 9.1-10.9 HA LEU 103 - QD2 LEU 98 far 0 99 0 - 9.3-11.1 HA SER 60 - QD2 LEU 48 far 0 67 0 - 9.8-11.3 HA LEU 119 - QD2 LEU 98 far 0 100 0 - 9.9-12.1 Violated in 1 structures by 0.01 A. Peak 11471 from aliabs.peaks (1.76, 3.76, 63.23 ppm; 4.54 A): 3 out of 4 assignments used, quality = 0.89: HB3 LEU 98 + HB2 SER 99 OK 57 81 80 89 3.9-7.0 ~11480=42, 10023/3.0=27...(10) HB3 LEU 122 + HB2 SER 99 OK 53 63 85 100 1.8-6.0 3.1/11479=48...(33) HG LEU 100 + HB2 SER 99 OK 46 97 50 96 3.6-7.0 3249/4.5=47...(16) HG13 ILE 129 - HB2 SER 99 far 0 87 0 - 8.9-12.5 Violated in 1 structures by 0.00 A. Peak 11472 from aliabs.peaks (1.77, 4.00, 63.23 ppm; 4.68 A): 3 out of 4 assignments used, quality = 0.94: HB3 LEU 122 + HB3 SER 99 OK 81 90 90 100 1.9-6.4 3.1/11476=51...(25) HG LEU 100 + HB3 SER 99 OK 43 100 45 95 4.0-7.5 3249/7395=55...(15) HB3 LEU 98 + HB3 SER 99 OK 43 98 50 87 3.7-6.8 ~11480=45, 7378/3.7=32...(8) HB3 LEU 103 - HB3 SER 99 far 8 85 10 - 4.6-7.5 Violated in 1 structures by 0.01 A. Peak 11473 from aliabs.peaks (1.61, 4.00, 63.23 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 122 + HB3 SER 99 OK 98 99 100 100 2.3-5.4 2.1/11476=61, ~11479=45...(24) HB2 LEU 122 + HB3 SER 99 OK 80 100 80 100 2.0-6.5 3.1/11476=53...(25) HG LEU 119 - HB3 SER 99 far 0 98 0 - 6.7-9.6 HG LEU 70 - HB3 SER 99 far 0 100 0 - 8.4-11.5 Violated in 1 structures by 0.02 A. Peak 11474 from aliabs.peaks (2.22, 4.00, 63.23 ppm; 6.50 A): 2 out of 7 assignments used, quality = 0.90: HB3 GLU 102 + HB3 SER 99 OK 86 96 90 100 3.9-7.5 3207/3.0=94, ~3332=88...(11) HB3 LEU 96 + HB3 SER 99 OK 27 68 40 98 5.6-8.2 3.0/3214=47, ~3208=42...(14) HG2 GLU 97 - HB3 SER 99 far 7 68 10 - 6.4-9.7 HB3 GLU 97 - HB3 SER 99 far 5 100 5 - 7.3-9.1 HB3 GLN 104 - HB3 SER 99 far 0 99 0 - 7.8-11.5 HB2 GLN 101 - HB3 SER 99 far 0 97 0 - 8.3-9.2 HB2 GLN 104 - HB3 SER 99 far 0 63 0 - 9.5-12.1 Violated in 1 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 = 0.79: QG1 VAL 118 + HB3 SER 99 OK 79 81 100 98 1.9-3.4 2.1/10270=67...(22) QD1 LEU 62 - HB3 SER 99 far 0 100 0 - 5.8-9.6 QD1 LEU 119 - HB3 SER 99 far 0 73 0 - 6.2-9.8 QG2 VAL 63 - HB3 SER 99 far 0 100 0 - 6.5-8.9 QD1 LEU 49 - HB3 SER 99 far 0 100 0 - 7.5-10.0 QD1 LEU 123 - HB3 SER 99 far 0 97 0 - 8.0-9.9 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 = 0.88: QD2 LEU 122 + HB3 SER 99 OK 78 99 80 99 1.9-5.7 11479/1.8=43, 11724=30...(27) QD1 LEU 122 + HB3 SER 99 OK 45 93 50 98 1.9-5.4 11702=37, ~11479=27...(25) QD1 LEU 103 - HB3 SER 99 poor 19 97 20 - 4.2-7.0 QD1 LEU 96 - HB3 SER 99 far 4 85 5 - 4.2-6.3 QD2 LEU 119 - HB3 SER 99 far 0 100 0 - 5.7-9.6 QD1 LEU 53 - HB3 SER 99 far 0 100 0 - 6.4-10.5 QD2 LEU 49 - HB3 SER 99 far 0 100 0 - 6.7-9.5 QG1 VAL 63 - HB3 SER 99 far 0 97 0 - 7.3-9.3 QD1 LEU 70 - HB3 SER 99 far 0 83 0 - 7.8-9.5 Violated in 1 structures by 0.01 A. Peak 11477 from aliabs.peaks (1.37, 3.76, 63.23 ppm; 5.30 A): 2 out of 7 assignments used, quality = 0.97: HB3 LEU 100 + HB2 SER 99 OK 89 100 90 99 4.3-6.7 7398/4.5=72, 3240=47...(21) HB2 LEU 96 + HB2 SER 99 OK 73 96 80 96 4.6-6.7 3.0/3208=42...(17) HG LEU 96 - HB2 SER 99 poor 15 60 25 - 5.9-7.5 HG3 LYS 95 - HB2 SER 99 far 0 89 0 - 6.5-9.7 QB ALA 108 - HB2 SER 99 far 0 97 0 - 6.8-14.0 HG2 LYS 95 - HB2 SER 99 far 0 83 0 - 7.5-10.7 QB ALA 109 - HB2 SER 99 far 0 85 0 - 9.2-13.7 Violated in 3 structures by 0.03 A. Peak 11478 from aliabs.peaks (0.89, 3.76, 63.23 ppm; 4.44 A): 1 out of 7 assignments used, quality = 0.99: QG1 VAL 118 + HB2 SER 99 OK 99 100 100 99 1.9-3.6 11599/3.0=70, ~10270=58...(19) QD2 LEU 98 - HB2 SER 99 far 0 99 0 - 5.4-7.0 QG2 VAL 63 - HB2 SER 99 far 0 81 0 - 6.6-8.8 QD1 LEU 62 - HB2 SER 99 far 0 73 0 - 6.6-9.5 QD1 LEU 49 - HB2 SER 99 far 0 76 0 - 7.2-10.2 QD2 LEU 69 - HB2 SER 99 far 0 76 0 - 7.6-10.4 QD2 LEU 123 - HB2 SER 99 far 0 99 0 - 7.8-9.8 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 = 0.90: QD2 LEU 122 + HB2 SER 99 OK 80 90 90 99 1.9-5.0 11476/1.8=44...(35) QD1 LEU 122 + HB2 SER 99 OK 49 100 50 98 2.1-5.5 11091=31, 11702/1.8=30...(36) QD1 LEU 96 - HB2 SER 99 poor 15 60 25 - 4.2-5.7 QD1 LEU 103 - HB2 SER 99 far 0 81 0 - 4.5-7.2 QD1 LEU 53 - HB2 SER 99 far 0 98 0 - 6.0-10.8 QD2 LEU 119 - HB2 SER 99 far 0 95 0 - 6.1-8.9 QD2 LEU 49 - HB2 SER 99 far 0 100 0 - 6.2-8.8 QD1 LEU 70 - HB2 SER 99 far 0 97 0 - 6.9-9.6 QG1 VAL 63 - HB2 SER 99 far 0 83 0 - 7.5-9.8 QG2 ILE 129 - HB2 SER 99 far 0 78 0 - 9.7-11.8 Violated in 3 structures by 0.02 A. Peak 11480 from aliabs.peaks (1.64, 4.22, 62.42 ppm; 4.76 A): 1 out of 7 assignments used, quality = 0.98: HB2 LEU 98 + HA SER 99 OK 98 98 100 100 4.0-4.9 3166/2.9=60...(27) HB2 LEU 122 - HA SER 99 far 6 63 10 - 4.2-8.4 HG LEU 119 - HA SER 99 far 0 92 0 - 8.0-11.6 HD2 LYS 95 - HA SER 99 far 0 89 0 - 8.8-11.4 HD3 LYS 95 - HA SER 99 far 0 78 0 - 8.9-10.9 HG LEU 70 - HA SER 99 far 0 71 0 - 9.1-11.5 HB2 LEU 123 - HA SER 99 far 0 96 0 - 9.3-12.1 Violated in 4 structures by 0.03 A. Peak 11481 from aliabs.peaks (0.78, 4.22, 62.42 ppm; 4.51 A): 3 out of 9 assignments used, quality = 0.88: QD2 LEU 122 + HA SER 99 OK 75 100 75 100 3.9-7.0 11476/3.0=47...(45) QD1 LEU 103 + HA SER 99 OK 38 100 40 94 4.7-7.0 10265/10271=49...(17) QD1 LEU 122 + HA SER 99 OK 23 76 30 99 3.9-7.1 ~11476=30, ~11479=30...(39) QD1 LEU 96 - HA SER 99 far 0 97 0 - 6.3-7.5 QD2 LEU 119 - HA SER 99 far 0 99 0 - 6.8-10.0 QG1 VAL 63 - HA SER 99 far 0 100 0 - 7.6-9.4 QD1 LEU 70 - HA SER 99 far 0 60 0 - 7.7-9.6 QD1 LEU 53 - HA SER 99 far 0 97 0 - 8.4-12.7 QD2 LEU 49 - HA SER 99 far 0 93 0 - 8.5-10.6 Violated in 5 structures by 0.03 A. Peak 11482 from aliabs.peaks (0.90, 4.22, 62.42 ppm; 4.36 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 118 + HA SER 99 OK 100 100 100 100 2.6-3.6 11599=89, 11478/3.0=58...(18) QD2 LEU 98 - HA SER 99 far 14 90 15 - 4.8-5.8 QG2 VAL 63 - HA SER 99 far 0 96 0 - 7.3-8.5 QD1 LEU 62 - HA SER 99 far 0 92 0 - 7.5-10.0 QD1 LEU 49 - HA SER 99 far 0 93 0 - 9.1-11.3 QD2 LEU 123 - HA SER 99 far 0 90 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 11483 from aliabs.peaks (8.28, 0.68, 23.45 ppm; 4.53 A): 0 out of 11 assignments used, quality = 0.00: H LEU 49 - QD2 LEU 62 poor 17 60 35 81 4.6-7.6 9247/9232=56...(8) H LEU 123 - QD2 LEU 62 poor 15 75 20 - 5.3-6.6 H LEU 69 - QD2 LEU 100 far 8 85 10 - 5.2-7.0 H LEU 123 - QD2 LEU 100 far 0 96 0 - 5.7-7.9 H SER 99 - QD2 LEU 100 far 0 96 0 - 5.7-6.4 H VAL 126 - QD2 LEU 100 far 0 100 0 - 6.7-8.7 H LEU 49 - QD2 LEU 100 far 0 81 0 - 7.0-9.8 H LEU 96 - QD2 LEU 100 far 0 100 0 - 7.5-8.9 H VAL 126 - QD2 LEU 62 far 0 83 0 - 7.7-8.8 H LEU 69 - QD2 LEU 62 far 0 64 0 - 8.1-9.4 H SER 99 - QD2 LEU 62 far 0 75 0 - 9.2-11.5 Violated in 7 structures by 0.02 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 - 9.0-10.6 H ALA 46 - QD2 LEU 100 far 0 57 0 - 9.5-11.7 Violated in 20 structures by 4.24 A. Peak 11485 from aliabs.peaks (7.16, 0.68, 23.45 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.88: HD2 HIS 67 + QD2 LEU 100 OK 88 100 90 98 3.6-6.4 10044/2.1=71...(7) QD TYR 72 - QD2 LEU 100 far 0 71 0 - 8.4-10.3 HD2 HIS 67 - QD2 LEU 62 far 0 83 0 - 8.9-10.9 Violated in 11 structures by 0.34 A. Peak 11488 from aliabs.peaks (4.07, 0.60, 25.59 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.35: HA LEU 96 + QD1 LEU 100 OK 35 95 40 93 4.1-6.7 3.7/11918=49...(19) HA LEU 122 - QD1 LEU 100 poor 13 65 20 - 4.0-7.2 HB THR 65 - QD1 LEU 100 far 5 100 5 - 5.1-7.1 HA GLN 104 - QD1 LEU 100 far 0 78 0 - 5.4-8.2 HA GLU 102 - QD1 LEU 100 far 0 87 0 - 6.5-8.7 HB2 SER 74 - QD1 LEU 100 far 0 97 0 - 7.5-9.6 HB3 SER 74 - QD1 LEU 100 far 0 99 0 - 8.0-10.4 HA ALA 92 - QD1 LEU 100 far 0 96 0 - 8.7-11.8 Violated in 19 structures by 1.28 A. Peak 11489 from aliabs.peaks (0.79, 3.96, 57.71 ppm; 3.42 A): 3 out of 9 assignments used, quality = 0.95: QD2 LEU 122 + HA LEU 100 OK 79 99 85 94 1.8-5.7 10026/2.9=28...(31) QD1 LEU 122 + HA LEU 100 OK 54 95 65 87 1.8-5.1 10026/2.9=17...(27) QD1 LEU 103 + HA LEU 100 OK 52 96 70 78 1.9-4.5 3.2/3370=25...(17) QG1 VAL 63 - HA LEU 100 poor 19 97 20 - 3.9-5.8 QD1 LEU 96 - HA LEU 100 far 8 83 10 - 4.2-5.6 QD1 LEU 70 - HA LEU 100 far 0 85 0 - 5.4-8.1 QD2 LEU 119 - HA LEU 100 far 0 100 0 - 5.5-8.7 QD2 LEU 49 - HA LEU 100 far 0 100 0 - 5.6-7.8 QD1 LEU 53 - HA LEU 100 far 0 100 0 - 6.6-11.9 Violated in 3 structures by 0.03 A. Peak 11490 from aliabs.peaks (0.78, 1.77, 26.16 ppm; 3.87 A): 4 out of 10 assignments used, quality = 1.00: QD2 LEU 122 + HG LEU 100 OK 100 100 100 100 1.8-4.0 3903=32, 10337/3.0=30...(40) QD1 LEU 96 + HG LEU 100 OK 92 97 100 95 2.2-3.9 ~11918=33, 11388/2.1=30...(28) QD1 LEU 122 + HG LEU 100 OK 77 78 100 99 2.0-4.4 2.1/3903=26, 2.1/3887=25...(36) QG1 VAL 63 + HG LEU 100 OK 25 100 25 100 4.1-6.3 10974/2.1=78...(20) QD1 LEU 103 - HG LEU 100 far 10 100 10 - 4.0-6.9 QD1 LEU 70 - HG LEU 100 far 6 63 10 - 3.5-6.8 QD2 LEU 49 - HG LEU 100 lone 4 95 55 8 3.8-5.8 11388/2.1=3...(3) QD1 LEU 53 - HG LEU 100 far 0 98 0 - 5.5-11.2 QD2 LEU 119 - HG LEU 100 far 0 100 0 - 6.4-9.8 QD1 ILE 32 - HG LEU 100 far 0 90 0 - 10.0-24.7 Violated in 0 structures by 0.00 A. Peak 11491 from aliabs.peaks (0.77, 0.68, 23.45 ppm; 2.93 A): 6 out of 19 assignments used, quality = 1.00: QG1 VAL 63 + QD2 LEU 100 OK 95 97 100 98 1.8-3.5 10974=56, 10973/2.1=38...(25) QD2 LEU 122 + QD2 LEU 100 OK 77 93 90 91 1.9-4.7 3903/2.1=17...(32) QD1 LEU 53 + QD2 LEU 62 OK 36 60 70 85 1.8-5.5 2.1/10338=50...(10) QD2 LEU 119 + QD2 LEU 62 OK 34 68 55 92 2.0-5.5 10992/2.1=44...(26) QD1 LEU 103 + QD2 LEU 100 OK 32 98 50 66 1.8-4.2 11835/9397=23...(16) QD1 LEU 96 + QD2 LEU 100 OK 31 100 40 78 3.2-4.8 11388/2.1=20, ~11918=17...(18) QD2 LEU 49 - QD2 LEU 100 poor 18 71 25 - 2.8-5.7 QD2 LEU 49 - QD2 LEU 62 poor 15 52 55 53 1.9-5.2 9431/9432=24...(11) QD2 LEU 122 - QD2 LEU 62 far 4 72 5 - 3.3-6.6 QD1 LEU 103 - QD2 LEU 62 far 0 79 0 - 4.4-5.9 QD2 LEU 119 - QD2 LEU 100 far 0 89 0 - 4.5-7.1 QD1 LEU 53 - QD2 LEU 100 far 0 81 0 - 4.6-9.0 QD2 LEU 96 - QD2 LEU 100 far 0 76 0 - 5.0-6.8 QD1 LEU 96 - QD2 LEU 62 far 0 83 0 - 5.7-7.4 QG1 VAL 63 - QD2 LEU 62 far 0 78 0 - 6.5-6.8 QD2 LEU 96 - QD2 LEU 62 far 0 56 0 - 7.2-9.2 QG1 VAL 93 - QD2 LEU 100 far 0 78 0 - 7.2-8.4 QD1 ILE 32 - QD2 LEU 100 far 0 100 0 - 8.5-19.9 HG12 ILE 129 - QD2 LEU 100 far 0 68 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 11492 from aliabs.peaks (0.78, 0.60, 25.59 ppm; 2.92 A): 4 out of 10 assignments used, quality = 0.98: QD1 LEU 96 + QD1 LEU 100 OK 80 99 100 81 1.7-3.7 2.1/11918=22...(23) QD2 LEU 122 + QD1 LEU 100 OK 65 100 70 93 2.1-4.6 2.1/9487=25...(32) QG1 VAL 63 + QD1 LEU 100 OK 53 100 55 97 2.1-4.7 10974/2.1=47, 10973=39...(22) QD1 LEU 122 + QD1 LEU 100 OK 37 71 60 87 2.4-5.2 9487=13, 11387/2.1=13...(30) QD1 LEU 103 - QD1 LEU 100 far 10 100 10 - 3.6-6.4 QD2 LEU 49 - QD1 LEU 100 poor 9 90 30 33 2.3-5.7 11820/11094=8...(6) QD1 LEU 53 - QD1 LEU 100 far 0 96 0 - 4.6-10.9 QD2 LEU 119 - QD1 LEU 100 far 0 99 0 - 6.7-9.3 QD1 ILE 32 - QD1 LEU 100 far 0 95 0 - 7.3-18.9 QD1 ILE 37 - QD1 LEU 100 far 0 95 0 - 9.2-11.6 Violated in 1 structures by 0.01 A. Peak 11493 from aliabs.peaks (1.65, 0.60, 25.59 ppm; 4.09 A): 1 out of 8 assignments used, quality = 0.44: HB2 LEU 69 + QD1 LEU 100 OK 44 100 55 80 3.6-6.9 6941/11094=48...(8) HB2 LEU 98 - QD1 LEU 100 far 0 100 0 - 6.6-8.6 HB2 LEU 123 - QD1 LEU 100 far 0 100 0 - 7.1-11.6 HG LEU 62 - QD1 LEU 100 far 0 100 0 - 7.2-9.7 HG LEU 119 - QD1 LEU 100 far 0 71 0 - 7.5-10.9 HD3 LYS 95 - QD1 LEU 100 far 0 96 0 - 9.0-11.5 HD2 LYS 95 - QD1 LEU 100 far 0 99 0 - 9.2-11.8 HD2 LYS 24 - QD1 LEU 100 far 0 93 0 - 9.9-32.2 Violated in 16 structures by 0.95 A. Peak 11494 from aliabs.peaks (2.07, 0.60, 25.62 ppm; 5.00 A): 0 out of 7 assignments used, quality = 0.00: HB2 LEU 62 - QD1 LEU 100 far 10 96 10 - 5.5-8.1 HB2 GLU 102 - QD1 LEU 100 far 0 94 0 - 6.7-8.8 HB VAL 118 - QD1 LEU 100 far 0 100 0 - 7.5-9.0 HB2 GLU 128 - QD1 LEU 100 far 0 95 0 - 9.0-12.3 HB2 GLN 61 - QD1 LEU 100 far 0 60 0 - 9.5-11.3 HB2 GLN 127 - QD1 LEU 100 far 0 83 0 - 9.7-13.5 HB VAL 57 - QD1 LEU 100 far 0 80 0 - 9.9-12.1 Violated in 20 structures by 0.90 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 3.3-5.0 10036/2.1=96...(25) HB2 SER 99 + HG LEU 100 OK 68 98 70 99 3.6-7.0 4.5/3249=68...(16) Violated in 0 structures by 0.00 A. Peak 11496 from aliabs.peaks (8.47, 2.55, 33.53 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.89: H LEU 100 + HG3 GLN 101 OK 83 83 100 100 3.8-4.7 3.1/3314=96...(16) H GLU 97 + HG3 GLN 101 OK 38 60 90 70 5.6-7.1 ~3112=17, 10020/10052=17...(10) H LEU 70 - HG3 GLN 101 far 0 100 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 11497 from aliabs.peaks (3.96, 2.55, 33.53 ppm; 5.44 A): 1 out of 5 assignments used, quality = 0.99: HA LEU 100 + HG3 GLN 101 OK 99 99 100 100 5.5-5.8 3.6/3314=91...(12) HB3 SER 106 - HG3 GLN 101 far 4 78 5 - 5.9-11.3 HB2 SER 106 - HG3 GLN 101 far 0 98 0 - 7.2-12.1 HB3 SER 94 - HG3 GLN 101 far 0 92 0 - 8.8-10.9 HB3 SER 107 - HG3 GLN 101 far 0 100 0 - 9.2-13.9 Violated in 20 structures by 0.18 A. Peak 11498 from aliabs.peaks (3.98, 2.21, 27.78 ppm; 3.74 A): 1 out of 10 assignments used, quality = 0.54: HA GLN 127 + HB3 GLN 127 OK 54 54 100 100 2.6-3.0 3.0=100 HB2 SER 124 - HB3 GLN 127 far 0 67 0 - 4.7-7.1 HB3 SER 124 - HB3 GLN 127 far 0 37 0 - 4.8-7.0 HA SER 50 - HB3 GLN 127 far 0 62 0 - 5.4-8.0 HA LEU 100 - HB2 GLN 101 far 0 81 0 - 6.0-6.6 HB3 SER 106 - HB2 GLN 101 far 0 99 0 - 6.8-11.1 HA LEU 103 - HB2 GLN 101 far 0 60 0 - 7.6-8.5 HB2 SER 106 - HB2 GLN 101 far 0 85 0 - 7.9-10.7 HB3 SER 99 - HB2 GLN 101 far 0 96 0 - 8.3-9.2 HB3 SER 107 - HB2 GLN 101 far 0 68 0 - 9.8-12.8 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 7 assignments used, quality = 0.88: QG2 VAL 105 + HB2 GLN 101 OK 70 71 100 99 2.1-5.6 10054/2.9=81...(13) QG2 VAL 126 + HB3 GLN 127 OK 38 48 80 100 5.5-6.8 2.1/11620=90, ~10394=63...(14) QG1 VAL 126 + HB3 GLN 127 OK 36 37 100 98 4.5-5.7 4.3/7814=60, 11620=52...(11) QD2 LEU 53 - HB3 GLN 127 far 0 54 0 - 6.5-9.6 QG2 VAL 118 - HB2 GLN 101 far 0 83 0 - 6.9-8.8 QD1 LEU 69 - HB3 GLN 127 far 0 41 0 - 7.0-9.1 QG2 VAL 126 - HB2 GLN 101 far 0 81 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 11500 from aliabs.peaks (0.87, 2.21, 27.78 ppm; 4.23 A): 1 out of 10 assignments used, quality = 0.40: QD2 LEU 123 + HB3 GLN 127 OK 40 62 65 100 2.9-7.3 ~10436=51, 11581/3.0=45...(21) QD2 LEU 70 - HB2 GLN 101 far 5 93 5 - 4.9-8.4 QD2 LEU 98 - HB2 GLN 101 far 0 97 0 - 5.2-8.1 QD1 LEU 98 - HB2 GLN 101 far 0 96 0 - 5.2-7.1 QG1 VAL 118 - HB2 GLN 101 far 0 78 0 - 6.6-8.0 QD2 LEU 69 - HB3 GLN 127 far 0 67 0 - 6.8-9.1 QD2 LEU 69 - HB2 GLN 101 far 0 100 0 - 9.4-13.1 QD2 LEU 70 - HB3 GLN 127 far 0 58 0 - 9.6-11.4 QD1 LEU 22 - HB2 GLN 101 far 0 90 0 - 9.7-34.0 QG1 VAL 118 - HB3 GLN 127 far 0 46 0 - 9.7-12.6 Violated in 13 structures by 0.76 A. Peak 11501 from aliabs.peaks (0.99, 2.30, 27.78 ppm; 5.79 A): 1 out of 4 assignments used, quality = 0.78: QG2 VAL 105 + HB3 GLN 101 OK 78 78 100 100 3.5-5.6 10054/2.9=93, ~11503=68...(13) QG2 VAL 118 - HB3 GLN 101 poor 7 89 25 30 5.6-8.5 10065/7449=29 QG2 VAL 126 - HB3 GLN 101 far 0 73 0 - 8.3-11.0 QD1 LEU 69 - HB3 GLN 101 far 0 78 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. Peak 11502 from aliabs.peaks (1.63, 2.43, 33.53 ppm; 4.25 A): 2 out of 13 assignments used, quality = 0.46: HG3 ARG 84 + HG2 GLN 82 OK 27 92 35 85 3.8-7.8 3.0/11315=25, ~11364=22...(13) HB2 LEU 98 + HG2 GLN 101 OK 25 85 30 100 4.0-6.8 3.1/10056=61, ~10051=44...(25) HG2 ARG 84 - HG2 GLN 82 far 14 95 15 - 3.8-8.1 HG2 ARG 84 - HG3 GLN 82 far 9 90 10 - 4.8-8.9 HG3 ARG 84 - HG3 GLN 82 far 9 87 10 - 4.2-8.5 HG LEU 70 - HG2 GLN 101 far 0 92 0 - 6.1-9.8 HD3 LYS 86 - HG3 GLN 82 far 0 60 0 - 6.3-11.0 HD2 LYS 86 - HG3 GLN 82 far 0 53 0 - 6.4-11.0 HG LEU 122 - HG2 GLN 101 far 0 78 0 - 7.1-11.0 HD3 LYS 86 - HG2 GLN 82 far 0 66 0 - 7.9-11.6 HD2 LYS 86 - HG2 GLN 82 far 0 58 0 - 8.1-11.7 HB2 LEU 122 - HG2 GLN 101 far 0 87 0 - 8.3-11.9 HD2 LYS 95 - HG2 GLN 101 far 0 65 0 - 9.7-13.6 Violated in 13 structures by 0.71 A. Peak 11503 from aliabs.peaks (0.97, 2.43, 33.53 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.40: QG1 VAL 105 + HG2 GLN 101 OK 40 93 45 96 3.4-7.5 ~10054=55, ~10054=52...(13) QG2 VAL 126 - HG2 GLN 101 far 0 100 0 - 8.7-10.8 Violated in 15 structures by 1.00 A. Peak 11504 from aliabs.peaks (0.78, 2.55, 33.53 ppm; 4.85 A): 0 out of 7 assignments used, quality = 0.00: QD1 LEU 103 - HG3 GLN 101 far 5 100 5 - 5.7-8.5 QD2 LEU 122 - HG3 GLN 101 far 5 99 5 - 5.7-8.6 QD1 LEU 122 - HG3 GLN 101 far 3 68 5 - 5.7-8.9 QD1 LEU 96 - HG3 GLN 101 far 0 99 0 - 5.8-7.5 QG1 VAL 63 - HG3 GLN 101 far 0 100 0 - 6.0-8.8 QD2 LEU 49 - HG3 GLN 101 far 0 89 0 - 9.1-11.4 QD2 LEU 119 - HG3 GLN 101 far 0 98 0 - 9.6-12.9 Violated in 20 structures by 0.41 A. Peak 11505 from aliabs.peaks (4.21, 2.51, 34.64 ppm; 4.77 A): 1 out of 3 assignments used, quality = 0.97: HA SER 99 + HG3 GLU 102 OK 97 97 100 100 1.9-4.4 3332/3.0=75, 3207/3.0=71...(9) HA SER 94 - HG3 GLU 102 far 0 73 0 - 9.5-12.9 HA HIS 67 - HG3 GLU 102 far 0 99 0 - 10.0-12.6 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 = 0.88: QG2 VAL 105 + HG3 GLU 102 OK 78 98 80 99 3.6-5.3 10083=87, 10086/3.7=59...(8) QG2 VAL 118 + HG3 GLU 102 OK 45 100 45 100 2.2-6.0 10267=95, 10266/1.8=84...(17) Violated in 9 structures by 0.12 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 2.1-4.8 11545=93, 2.1/11606=77...(19) QG2 VAL 105 + HB3 GLU 102 OK 98 98 100 100 3.4-4.5 10086/3.0=81...(18) QD1 LEU 69 - HB2 GLN 68 poor 17 50 35 - 2.9-6.9 QG2 VAL 105 - HB3 GLU 97 far 0 89 0 - 6.2-10.2 QD1 LEU 69 - HB3 GLU 128 far 0 97 0 - 6.7-10.8 QD1 LEU 69 - HB3 GLU 97 far 0 89 0 - 7.7-10.8 QG2 VAL 118 - HB3 GLU 97 far 0 93 0 - 8.9-10.5 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 10 assignments used, quality = 0.92: QG2 VAL 105 + HA GLU 102 OK 92 92 100 100 1.8-2.4 10086=87, 2.1/3465=52...(13) QG2 VAL 118 - HA GLU 102 far 5 97 5 - 4.1-5.9 QD2 LEU 53 - HA LEU 122 far 0 54 0 - 4.6-9.7 QG2 VAL 118 - HA LEU 122 far 0 86 0 - 5.9-7.2 QG2 VAL 118 - HA LEU 96 far 0 76 0 - 6.0-8.3 QD1 LEU 69 - HA LEU 122 far 0 79 0 - 6.4-10.1 QD1 LEU 69 - HA LEU 96 far 0 70 0 - 6.4-9.6 QD2 LEU 53 - HA LEU 96 far 0 46 0 - 6.9-11.9 QG2 VAL 105 - HA LEU 96 far 0 70 0 - 9.4-11.3 QG2 VAL 105 - HA LEU 122 far 0 79 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 11509 from aliabs.peaks (3.36, 1.58, 42.10 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.70: HA VAL 63 + HB2 LEU 103 OK 70 100 70 100 4.7-7.5 11832/3.1=89...(38) HB2 HIS 67 - HB2 LEU 103 far 0 85 0 - 8.7-12.7 Violated in 11 structures by 0.53 A. Peak 11510 from aliabs.peaks (1.24, 0.88, 25.15 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.75: QG2 THR 54 + QD2 LEU 123 OK 75 100 85 88 1.8-6.3 9275=44, 11640/2.1=35...(11) QG2 THR 65 - QD2 LEU 123 far 0 87 0 - 4.6-8.4 Violated in 8 structures by 0.44 A. Peak 11513 from aliabs.peaks (3.87, 1.56, 26.82 ppm; 4.80 A): 4 out of 11 assignments used, quality = 0.96: HA LEU 123 + HG LEU 123 OK 87 87 100 100 3.4-3.7 3.7=100 HA ALA 46 + HG LEU 49 OK 46 48 100 98 2.8-5.5 9209/2.1=60...(16) HA LEU 123 + HG LEU 49 OK 27 73 40 93 3.6-7.5 10393/11682=75...(16) HB3 SER 50 + HG LEU 49 OK 23 73 35 90 3.9-7.5 3.9/6620=40...(18) HB3 SER 50 - HG LEU 123 far 13 87 15 - 4.5-8.3 HA2 GLY 114 - HG LEU 103 far 0 89 0 - 7.8-13.8 HA ALA 46 - HG LEU 123 far 0 59 0 - 8.0-10.7 HD2 PRO 117 - HG LEU 103 far 0 98 0 - 8.3-11.7 HA2 GLY 114 - HG LEU 123 far 0 82 0 - 8.8-15.2 HA LEU 123 - HG LEU 103 far 0 93 0 - 8.9-13.3 HA LEU 70 - HG LEU 49 far 0 70 0 - 9.1-11.4 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 8 assignments used, quality = 0.93: HB2 LEU 48 + HA LEU 48 OK 74 74 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 51 63 85 96 3.7-5.0 7488/3.0=36, ~3378=23...(21) HB3 LEU 98 + HA LEU 98 OK 41 41 100 100 2.4-3.0 3.0=100 HG LEU 100 - HA LEU 98 far 0 51 0 - 6.7-8.4 HB3 LEU 122 - HA LEU 98 far 0 32 0 - 7.1-10.8 HG LEU 100 - HA GLN 104 far 0 99 0 - 7.3-9.4 HB3 LEU 103 - HA LEU 98 far 0 27 0 - 7.6-11.0 HB3 LEU 122 - HA GLN 104 far 0 71 0 - 9.4-11.6 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 15 assignments used, quality = 0.99: QD2 LEU 48 + HA LEU 48 OK 83 83 100 100 1.9-3.2 3.8=75, 10961/1615=29...(25) QG2 VAL 63 + HA GLN 104 OK 82 83 100 99 1.9-3.7 2.1/11433=49...(21) QD1 LEU 48 + HA LEU 48 OK 65 66 100 99 3.4-3.8 4.0=63, ~6586=27...(21) QD2 LEU 98 + HA LEU 98 OK 51 51 100 100 1.9-4.1 4.0=66, 2.1/3185=57...(17) QD1 LEU 49 - HA LEU 48 far 0 60 0 - 4.5-6.2 QD1 LEU 62 - HA GLN 104 far 0 76 0 - 5.8-8.2 QG1 VAL 118 - HA GLN 104 far 0 100 0 - 6.0-7.3 QD2 LEU 123 - HA LEU 48 far 0 81 0 - 6.1-9.5 QD2 LEU 69 - HA LEU 48 far 0 55 0 - 6.2-8.1 QG1 VAL 118 - HA LEU 98 far 0 54 0 - 6.4-7.0 QG2 VAL 63 - HA LEU 98 far 0 38 0 - 8.5-10.4 QD1 LEU 62 - HA LEU 48 far 0 58 0 - 8.5-11.2 QD2 LEU 69 - HA LEU 98 far 0 33 0 - 9.5-12.6 QD1 LEU 49 - HA GLN 104 far 0 78 0 - 9.5-13.2 QD2 LEU 69 - HA GLN 104 far 0 73 0 - 9.8-13.2 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 3 assignments used, quality = 0.71: QG1 VAL 105 + HB2 GLN 104 OK 71 71 100 100 3.0-4.9 3.9/7523=72...(9) QG2 VAL 118 - HB2 GLN 104 far 0 71 0 - 7.8-9.4 QD2 LEU 53 - HB2 GLN 104 far 0 96 0 - 9.5-17.3 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 6 assignments used, quality = 0.83: QG2 VAL 63 + HB2 GLN 104 OK 83 83 100 100 2.1-4.7 11523/3.0=87...(26) QG1 VAL 118 - HB2 GLN 104 far 0 100 0 - 6.6-8.4 QD1 LEU 62 - HB2 GLN 104 far 0 76 0 - 6.9-10.2 QD2 LEU 69 - HB2 GLN 104 far 0 73 0 - 9.4-13.4 QD1 LEU 49 - HB2 GLN 104 far 0 78 0 - 9.5-13.4 QD1 LEU 22 - HB2 GLN 104 far 0 100 0 - 10.0-36.7 Violated in 0 structures by 0.00 A. Peak 11518 from aliabs.peaks (0.77, 2.19, 29.39 ppm; 5.38 A): 2 out of 6 assignments used, quality = 0.99: QG1 VAL 63 + HB2 GLN 104 OK 99 99 100 100 1.8-4.4 9400/3.0=90, 9401/3.0=88...(32) QD1 LEU 103 + HB2 GLN 104 OK 25 99 25 100 3.3-7.4 ~11827=75, ~11717=70...(22) QD2 LEU 122 - HB2 GLN 104 far 0 96 0 - 6.6-10.8 QD2 LEU 119 - HB2 GLN 104 far 0 92 0 - 7.5-12.7 QD1 LEU 96 - HB2 GLN 104 far 0 100 0 - 8.8-10.9 QD2 LEU 49 - HB2 GLN 104 far 0 76 0 - 9.3-11.6 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 1.8-3.7 9400/3.0=91...(33) QD1 LEU 103 + HB3 GLN 104 OK 35 100 35 100 2.0-7.1 2.1/11717=89, ~11828=57...(23) QD1 LEU 122 - HB3 GLN 104 far 8 83 10 - 5.5-9.2 QD2 LEU 122 - HB3 GLN 104 far 5 100 5 - 5.4-10.8 QD1 LEU 70 - HB3 GLN 104 far 0 68 0 - 6.4-12.2 QD2 LEU 119 - HB3 GLN 104 far 0 100 0 - 7.1-11.8 QD1 LEU 96 - HB3 GLN 104 far 0 95 0 - 7.5-10.9 QD2 LEU 49 - HB3 GLN 104 far 0 97 0 - 8.0-11.1 QD1 LEU 53 - HB3 GLN 104 far 0 99 0 - 9.9-15.1 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 4.4-5.3 7531/7524=85...(9) QD1 LEU 119 - HB3 GLN 104 far 0 73 0 - 8.3-11.3 QD2 LEU 53 - HB3 GLN 104 far 0 100 0 - 8.7-16.0 QG2 VAL 126 - HB3 GLN 104 far 0 100 0 - 8.9-12.3 Violated in 1 structures by 0.00 A. Peak 11521 from aliabs.peaks (0.92, 2.38, 34.44 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.90: QG2 VAL 63 + HG2 GLN 104 OK 90 100 90 100 3.2-4.7 10960=77, 11442/1.8=68...(27) QG1 VAL 118 - HG2 GLN 104 far 0 78 0 - 5.3-7.1 QD1 LEU 62 - HG2 GLN 104 far 0 100 0 - 8.3-10.0 QD1 LEU 49 - HG2 GLN 104 far 0 100 0 - 9.4-12.9 QD1 LEU 119 - HG2 GLN 104 far 0 76 0 - 9.4-11.3 Violated in 19 structures by 0.39 A. Peak 11522 from aliabs.peaks (0.78, 2.38, 34.44 ppm; 3.62 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 63 + HG2 GLN 104 OK 100 100 100 100 3.0-4.5 9400=85, 2.1/11521=69...(21) QD1 LEU 103 + HG2 GLN 104 OK 23 100 25 90 2.8-6.7 2.1/11828=44, ~11827=26...(14) QD2 LEU 122 - HG2 GLN 104 far 0 99 0 - 5.9-9.3 QD1 LEU 122 - HG2 GLN 104 far 0 68 0 - 6.1-9.3 QD1 LEU 96 - HG2 GLN 104 far 0 99 0 - 7.3-9.6 QD2 LEU 119 - HG2 GLN 104 far 0 98 0 - 7.7-11.5 QD2 LEU 49 - HG2 GLN 104 far 0 89 0 - 8.6-11.7 Violated in 12 structures by 0.15 A. Peak 11523 from aliabs.peaks (0.90, 2.47, 34.44 ppm; 3.53 A): 1 out of 9 assignments used, quality = 0.39: QG2 VAL 63 + HG3 GLN 104 OK 39 97 40 100 2.2-5.3 10961=68, 11440/1.8=60...(23) QD1 LEU 48 - HG3 GLU 44 far 0 73 0 - 5.9-8.4 QG1 VAL 118 - HG3 GLN 104 far 0 99 0 - 6.1-7.8 QD1 LEU 62 - HG3 GLN 104 far 0 93 0 - 7.7-10.9 QD2 LEU 48 - HG3 GLU 44 far 0 78 0 - 7.8-9.0 QD1 LEU 49 - HG3 GLU 44 far 0 69 0 - 8.4-11.5 QD2 LEU 98 - HG3 GLN 104 far 0 89 0 - 8.9-11.5 QD1 LEU 22 - HG3 GLN 104 far 0 96 0 - 9.7-35.6 QD1 LEU 49 - HG3 GLN 104 far 0 95 0 - 10.0-12.9 Violated in 17 structures by 0.84 A. Peak 11524 from aliabs.peaks (0.76, 2.47, 34.44 ppm; 3.96 A): 1 out of 9 assignments used, quality = 0.81: QG1 VAL 63 + HG3 GLN 104 OK 81 81 100 100 2.0-4.1 2.1/11523=80, 9401=65...(20) QD1 LEU 103 - HG3 GLN 104 poor 18 83 25 89 2.6-7.4 ~11828=41, ~11827=32...(10) QD2 LEU 103 - HG3 GLN 104 far 9 63 15 - 3.3-6.4 QD2 LEU 43 - HG3 GLU 44 far 0 63 0 - 6.1-6.8 QD2 LEU 122 - HG3 GLN 104 far 0 71 0 - 6.2-10.1 QD2 LEU 119 - HG3 GLN 104 far 0 63 0 - 7.2-12.6 QD1 LEU 96 - HG3 GLN 104 far 0 96 0 - 7.4-9.4 QD2 LEU 96 - HG3 GLN 104 far 0 96 0 - 9.2-11.6 QD1 ILE 37 - HG3 GLU 44 far 0 76 0 - 9.7-12.1 Violated in 8 structures by 0.03 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 5 assignments used, quality = 0.00: HB2 LEU 119 - HB3 PRO 113 far 0 91 0 - 7.4-10.7 HG LEU 103 - HB VAL 105 far 0 100 0 - 7.8-10.1 HB2 LEU 103 - HB VAL 105 far 0 76 0 - 8.1-9.0 HB3 LEU 42 - HB VAL 132 far 0 55 0 - 9.2-10.1 HG LEU 103 - HB3 PRO 113 far 0 94 0 - 9.6-15.8 Violated in 20 structures by 2.19 A. Peak 11528 from aliabs.peaks (1.68, 2.27, 31.70 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.48: QB ALA 88 + HB VAL 132 OK 48 49 100 98 3.8-4.7 10533/2.1=58...(12) HG2 ARG 135 - HB VAL 132 poor 18 36 50 - 4.2-7.7 HD2 LYS 39 - HB VAL 132 far 0 59 0 - 9.4-11.3 HD2 LYS 86 - HB VAL 132 far 0 39 0 - 9.5-10.6 HD3 LYS 86 - HB VAL 132 far 0 35 0 - 9.7-11.0 HB2 LEU 43 - HB VAL 132 far 0 33 0 - 9.9-10.9 Violated in 5 structures by 0.04 A. Peak 11529 from aliabs.peaks (2.39, 1.01, 20.08 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.93: HG2 GLN 104 + QG2 VAL 105 OK 93 93 100 100 1.9-4.3 11439=75, 10085/2.1=60...(14) HG3 GLU 97 - QG2 VAL 105 far 0 99 0 - 8.4-11.3 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 2 assignments used, quality = 1.00: HA SER 106 + QG2 VAL 105 OK 100 100 100 100 3.1-4.3 11466=100, 2.9/7539=68...(17) HA ASP 64 - QG2 VAL 105 far 0 97 0 - 9.9-11.6 Violated in 4 structures by 0.03 A. Peak 11531 from aliabs.peaks (3.95, 1.01, 20.08 ppm; 4.05 A): 2 out of 7 assignments used, quality = 0.96: HB2 SER 106 + QG2 VAL 105 OK 90 90 100 99 3.0-4.7 3.0/11466=61, 10105=56...(16) HB3 SER 106 + QG2 VAL 105 OK 59 60 100 99 2.5-4.8 3.0/11466=61...(16) HB3 SER 107 - QG2 VAL 105 far 0 98 0 - 5.3-7.1 HA LEU 100 - QG2 VAL 105 far 0 93 0 - 5.7-6.7 HD3 PRO 117 - QG2 VAL 105 far 0 100 0 - 8.1-11.7 HA3 GLY 111 - QG2 VAL 105 far 0 100 0 - 8.3-13.9 HA2 GLY 111 - QG2 VAL 105 far 0 85 0 - 8.9-13.6 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 4 assignments used, quality = 0.89: QB ALA 108 + HA SER 106 OK 89 99 90 100 3.2-6.6 11883=98, 10101/7546=56...(11) QB ALA 109 - HA SER 106 poor 13 100 20 64 3.3-8.8 4.6/11883=51...(6) QB ALA 110 - HA SER 106 far 5 100 5 - 4.1-11.0 QB ALA 12 - HA SER 106 far 0 63 0 - 9.9-46.4 Violated in 6 structures by 0.26 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 3.1-4.3 11530=94, 7539/2.9=66...(17) QG2 VAL 118 - HA SER 106 far 0 99 0 - 5.3-8.4 Violated in 3 structures by 0.03 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 poor 19 97 20 - 5.0-5.4 QG2 VAL 112 - HA SER 106 far 0 83 0 - 6.7-10.9 QD1 LEU 119 - HA SER 106 far 0 100 0 - 7.7-12.8 QG1 VAL 112 - HA SER 106 far 0 78 0 - 9.1-13.2 QD1 LEU 62 - HA SER 106 far 0 57 0 - 9.2-12.5 Violated in 20 structures by 0.98 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 0 97 0 - 6.2-7.6 QG1 VAL 63 - HA SER 106 far 0 96 0 - 7.7-9.5 QD2 LEU 119 - HA SER 106 far 0 85 0 - 7.8-13.0 QD2 LEU 122 - HA SER 106 far 0 90 0 - 9.2-13.2 Violated in 20 structures by 1.29 A. Peak 11536 from aliabs.peaks (1.59, 3.98, 63.90 ppm; 5.75 A): 2 out of 7 assignments used, quality = 0.82: HB2 LEU 103 + HB3 SER 106 OK 70 87 85 95 4.6-7.8 3.2/10096=49, ~10096=31...(18) HB2 LEU 103 + HB2 SER 106 OK 40 67 65 92 5.3-7.8 3.2/10096=40, ~10096=38...(15) HG LEU 119 - HB2 SER 106 far 3 50 5 - 5.9-13.4 HG LEU 119 - HB3 SER 106 far 0 68 0 - 7.3-12.4 HG LEU 122 - HB2 SER 106 far 0 80 0 - 9.1-13.4 HG LEU 122 - HB3 SER 106 far 0 98 0 - 9.2-14.1 HB2 LEU 122 - HB3 SER 106 far 0 95 0 - 9.4-15.1 Violated in 4 structures by 0.04 A. Peak 11537 from aliabs.peaks (1.13, 4.28, 52.75 ppm; 4.49 A): 0 out of 7 assignments used, quality = 0.00: QG2 THR 115 - HA ALA 109 poor 12 58 20 - 3.5-10.3 QG2 THR 115 - HA ALA 108 far 0 100 0 - 6.2-10.0 QG2 THR 115 - HA ALA 110 far 0 96 0 - 6.4-9.1 HG12 ILE 32 - HA ALA 16 far 0 71 0 - 7.6-25.2 HB3 LEU 62 - HA ALA 110 far 0 92 0 - 8.5-15.1 HG12 ILE 32 - HA ALA 15 far 0 48 0 - 8.9-25.9 HB3 LEU 62 - HA ALA 108 far 0 97 0 - 9.1-14.5 Violated in 17 structures by 1.02 A. Peak 11540 from aliabs.peaks (0.92, 1.38, 19.17 ppm; 3.70 A): 2 out of 40 assignments used, quality = 0.98: QG2 VAL 112 + QB ALA 109 OK 90 94 95 100 1.7-5.6 11771/2.1=77, 11496=67...(16) QG2 VAL 112 + QB ALA 110 OK 81 100 90 90 1.8-5.0 10661/4.8=32, 11496=31...(10) QD1 LEU 119 - QB ALA 109 far 12 81 15 - 4.2-8.7 QG1 VAL 20 - QB ALA 16 far 11 76 15 - 2.0-9.0 QG2 VAL 63 - QB ALA 108 far 5 96 5 - 4.5-8.6 QG1 VAL 20 - QB ALA 29 far 4 85 5 - 3.6-14.8 QG1 VAL 118 - QB ALA 108 far 3 60 5 - 3.4-9.3 QG2 VAL 20 - QB ALA 28 far 3 53 5 - 4.1-13.5 QG2 VAL 20 - QB ALA 29 far 3 53 5 - 1.9-14.4 QG1 VAL 118 - QB ALA 109 far 3 52 5 - 4.4-8.8 QG2 VAL 20 - QB ALA 16 far 2 45 5 - 1.9-10.2 QG2 VAL 63 - QB ALA 110 far 0 95 0 - 4.8-10.3 QG2 VAL 112 - QB ALA 108 far 0 100 0 - 4.9-6.1 QG1 VAL 20 - QB ALA 28 far 0 86 0 - 5.1-13.8 QD1 LEU 48 - QB ALA 29 far 0 86 0 - 5.3-19.7 QD1 LEU 62 - QB ALA 109 far 0 90 0 - 5.3-9.0 QG2 VAL 20 - QB ALA 15 far 0 55 0 - 5.4-11.1 QG1 VAL 20 - QB ALA 15 far 0 88 0 - 5.5-9.3 QD1 LEU 62 - QB ALA 108 far 0 98 0 - 5.6-10.4 QD1 LEU 119 - QB ALA 108 far 0 90 0 - 5.6-9.9 QD1 LEU 119 - QB ALA 110 far 0 89 0 - 5.7-9.6 QG1 VAL 118 - QB ALA 110 far 0 59 0 - 5.8-11.9 QG2 VAL 63 - QB ALA 109 far 0 87 0 - 6.0-8.3 QD1 LEU 62 - QB ALA 110 far 0 97 0 - 6.6-10.5 QD1 LEU 48 - QB ALA 28 far 0 87 0 - 6.9-20.0 QG1 VAL 57 - QB ALA 110 far 0 82 0 - 7.1-12.9 QD2 LEU 48 - QB ALA 29 far 0 58 0 - 7.2-21.7 QG2 ILE 37 - QB ALA 29 far 0 88 0 - 7.7-11.8 QG2 ILE 37 - QB ALA 16 far 0 78 0 - 7.8-24.7 QG1 VAL 57 - QB ALA 108 far 0 83 0 - 8.0-12.7 QG2 VAL 63 - QB ALA 15 far 0 91 0 - 8.0-31.2 QD2 LEU 48 - QB ALA 28 far 0 58 0 - 8.2-21.9 QD1 LEU 49 - QB ALA 29 far 0 90 0 - 8.4-20.2 QG1 VAL 57 - QB ALA 109 far 0 74 0 - 8.4-12.4 QG2 VAL 63 - QB ALA 29 far 0 88 0 - 8.7-21.5 QG2 VAL 63 - QB ALA 28 far 0 88 0 - 9.3-22.9 QG2 VAL 63 - QB ALA 16 far 0 78 0 - 9.5-31.5 QG1 VAL 57 - QB ALA 29 far 0 74 0 - 9.5-25.6 QG1 VAL 57 - QB ALA 28 far 0 75 0 - 9.6-26.2 QG2 ILE 37 - QB ALA 15 far 0 91 0 - 9.8-24.2 Violated in 0 structures by 0.00 A. Peak 11541 from aliabs.peaks (0.79, 1.38, 19.17 ppm; 4.86 A): 5 out of 41 assignments used, quality = 0.96: QD1 ILE 32 + QB ALA 29 OK 67 67 100 100 1.8-3.2 3.2/10790=84...(24) QD1 LEU 103 + QB ALA 109 OK 48 90 60 89 4.3-7.8 10195/10196=36...(13) QD1 ILE 32 + QB ALA 28 OK 46 68 90 75 3.8-6.0 ~10772=29, 10776/2.1=27...(11) QD2 LEU 119 + QB ALA 109 OK 36 94 55 70 4.3-8.3 10223/10220=27...(11) QD1 LEU 103 + QB ALA 108 OK 26 97 30 89 4.4-8.2 11486/7559=71...(11) QD2 LEU 119 - QB ALA 108 far 10 100 10 - 5.0-10.1 QD1 LEU 103 - QB ALA 110 far 10 97 10 - 4.4-10.6 QD2 LEU 119 - QB ALA 110 far 5 100 5 - 5.1-11.7 QD2 LEU 122 - QB ALA 108 far 5 100 5 - 5.6-13.2 QG1 VAL 63 - QB ALA 108 far 5 98 5 - 5.4-9.8 QD1 ILE 32 - QB ALA 16 far 3 59 5 - 4.9-18.9 QD1 ILE 32 - QB ALA 15 far 0 70 0 - 5.8-20.7 QD1 ILE 37 - QB ALA 29 far 0 67 0 - 5.9-9.7 QG1 VAL 63 - QB ALA 110 far 0 97 0 - 5.9-12.0 QD1 LEU 70 - QB ALA 16 far 0 63 0 - 6.3-26.5 QD2 LEU 122 - QB ALA 109 far 0 93 0 - 6.4-12.2 QD1 ILE 37 - QB ALA 16 far 0 59 0 - 6.6-22.8 QG1 VAL 63 - QB ALA 15 far 0 94 0 - 6.8-29.2 QG1 VAL 63 - QB ALA 29 far 0 91 0 - 6.9-19.9 QD2 LEU 49 - QB ALA 29 far 0 93 0 - 7.7-20.1 QG1 VAL 63 - QB ALA 109 far 0 90 0 - 7.7-10.1 QD1 LEU 122 - QB ALA 108 far 0 92 0 - 7.7-12.1 QG1 VAL 63 - QB ALA 28 far 0 92 0 - 7.8-21.3 QG1 VAL 63 - QB ALA 16 far 0 82 0 - 7.9-29.5 QD1 LEU 122 - QB ALA 109 far 0 83 0 - 7.9-11.4 QD1 LEU 70 - QB ALA 15 far 0 75 0 - 8.0-28.5 QD2 LEU 122 - QB ALA 110 far 0 99 0 - 8.1-14.2 QD1 LEU 70 - QB ALA 29 far 0 72 0 - 8.3-18.7 QD1 ILE 37 - QB ALA 15 far 0 70 0 - 8.4-23.3 QD1 LEU 122 - QB ALA 110 far 0 91 0 - 8.4-14.1 QD1 LEU 96 - QB ALA 108 far 0 87 0 - 8.6-14.0 QD1 LEU 53 - QB ALA 109 far 0 94 0 - 8.7-15.3 QD2 LEU 49 - QB ALA 110 far 0 99 0 - 8.8-15.9 QD1 LEU 70 - QB ALA 108 far 0 81 0 - 9.5-15.8 QD1 ILE 37 - QB ALA 28 far 0 68 0 - 9.6-12.1 QD1 LEU 53 - QB ALA 108 far 0 100 0 - 9.7-15.3 QD1 LEU 96 - QB ALA 29 far 0 78 0 - 9.7-20.2 QD2 LEU 49 - QB ALA 108 far 0 99 0 - 9.8-14.6 QD2 LEU 49 - QB ALA 28 far 0 94 0 - 9.8-21.9 QD1 LEU 96 - QB ALA 109 far 0 78 0 - 9.9-13.9 QD1 LEU 122 - QB ALA 29 far 0 83 0 - 10.0-21.7 Violated in 0 structures by 0.00 A. Peak 11543 from aliabs.peaks (4.28, 0.92, 20.13 ppm; 4.02 A): 3 out of 5 assignments used, quality = 0.98: HA ALA 109 + QG2 VAL 112 OK 95 100 95 100 2.2-6.5 11771=90, 2.1/11548=61...(12) HB THR 115 + QG2 VAL 112 OK 55 100 55 100 3.8-5.8 2.1/11553=89...(17) HA ALA 110 + QG2 VAL 112 OK 27 99 35 80 3.4-5.6 2.1/11540=37...(9) HA ALA 108 - QG2 VAL 112 far 0 100 0 - 5.4-7.5 HA GLN 61 - QG2 VAL 112 far 0 100 0 - 9.9-14.3 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 9 assignments used, quality = 1.00: HB THR 115 + QG1 VAL 112 OK 100 100 100 100 2.0-4.1 2.1/11552=81...(16) HA ALA 109 - QG1 VAL 112 far 0 99 0 - 4.6-8.6 HA ALA 110 - QG1 VAL 112 far 0 92 0 - 5.4-8.1 HA ALA 108 - QG1 VAL 105 far 0 68 0 - 6.1-9.9 HA ALA 12 - QG1 VAL 105 far 0 59 0 - 6.4-43.5 HA ALA 108 - QG1 VAL 112 far 0 99 0 - 7.7-9.9 HA ALA 109 - QG1 VAL 105 far 0 68 0 - 7.8-12.4 HA LEU 22 - QG1 VAL 105 far 0 70 0 - 9.0-35.7 HA ALA 110 - QG1 VAL 105 far 0 60 0 - 9.5-13.2 Violated in 6 structures by 0.07 A. Peak 11545 from aliabs.peaks (1.92, 4.42, 59.83 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.99: HG2 PRO 113 + HA VAL 112 OK 99 99 100 100 4.3-4.5 2.3/3569=86, 2.3/3567=84...(40) HB2 PRO 113 - HA VAL 112 far 0 92 0 - 4.8-4.8 HB2 PRO 58 - HA VAL 112 far 0 73 0 - 6.6-11.3 Violated in 20 structures by 0.58 A. Peak 11546 from aliabs.peaks (1.94, 2.12, 32.13 ppm; 4.09 A): 1 out of 4 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 - 5.2-6.5 HB2 PRO 58 - HB VAL 112 far 0 99 0 - 7.3-13.1 HB3 LYS 86 - HB2 PRO 81 far 0 64 0 - 9.1-10.9 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 = 0.90: HG2 PRO 113 + QG1 VAL 112 OK 71 71 100 100 3.9-4.1 2.3/10125=86...(38) HB2 PRO 113 + QG1 VAL 112 OK 65 100 65 100 4.6-5.1 3.0/10125=75...(42) HB2 MET 11 - QG1 VAL 105 far 3 65 5 - 3.6-45.1 Violated in 0 structures by 0.00 A. Peak 11548 from aliabs.peaks (1.39, 0.92, 20.13 ppm; 3.15 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 109 + QG2 VAL 112 OK 94 100 95 99 1.7-5.6 10732=65, 2.1/11771=59...(16) QB ALA 110 + QG2 VAL 112 OK 43 99 55 80 1.8-5.0 10732=30, 4.8/10661=21...(10) QB ALA 108 - QG2 VAL 112 far 0 97 0 - 4.9-6.1 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 1.8-2.4 11552/2.1=82, 10185=79...(18) HG2 LYS 39 - HB2 PRO 81 far 8 77 10 - 3.7-11.6 HG3 LYS 39 - HB2 PRO 81 far 0 39 0 - 5.4-13.2 QG1 VAL 132 - HB2 PRO 81 far 0 76 0 - 7.8-10.1 QG2 VAL 132 - HB2 PRO 81 far 0 74 0 - 9.8-12.6 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 3.9-4.7 11552/3562=100...(19) 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 84 89 95 100 2.9-8.6 10135/3562=100...(17) QB ALA 110 + HA VAL 112 OK 72 78 100 93 4.8-7.0 ~11478=51, 10136/3.0=38...(10) QB ALA 108 - HA VAL 112 far 7 71 10 - 6.6-9.8 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 = 1.00: QG2 THR 115 + QG1 VAL 112 OK 100 100 100 100 1.8-3.0 10194=77, 11553/2.1=59...(20) QG2 THR 115 - QG1 VAL 105 far 0 70 0 - 9.3-13.9 HB3 LEU 62 - QG1 VAL 105 far 0 65 0 - 10.0-11.5 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 2.6-3.4 11499/2.1=66...(15) HB3 LEU 62 - QG2 VAL 112 far 0 87 0 - 9.2-11.8 Violated in 9 structures by 0.04 A. Peak 11554 from aliabs.peaks (2.26, 4.42, 59.83 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.98: HB3 PRO 113 + HA VAL 112 OK 98 98 100 100 5.5-5.6 3.0/3569=98, 3.0/3567=97...(43) Violated in 20 structures by 0.41 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 5 assignments used, quality = 1.00: QG1 VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.7-3.2 10124=99, 10125/1.8=90...(34) QG1 VAL 112 - HD3 PRO 117 far 0 72 0 - 5.6-9.3 QG1 VAL 57 - HD3 PRO 113 far 0 63 0 - 7.0-11.0 QD2 LEU 53 - HD3 PRO 117 far 0 72 0 - 7.9-11.9 QD2 LEU 53 - HD3 PRO 113 far 0 100 0 - 8.0-12.3 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 1.7-1.9 10125=98, 10124/1.8=77...(35) QD2 LEU 53 - HD2 PRO 113 far 0 99 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 11558 from aliabs.peaks (1.13, 3.70, 50.81 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 115 + HD2 PRO 113 OK 100 100 100 100 2.4-5.2 11499/10125=99...(17) Violated in 0 structures by 0.00 A. Peak 11559 from aliabs.peaks (1.38, 3.70, 50.81 ppm; 5.87 A): 1 out of 3 assignments used, quality = 0.95: QB ALA 109 + HD2 PRO 113 OK 95 100 95 100 3.7-10.2 10135/10125=82...(7) QB ALA 110 - HD2 PRO 113 far 10 100 10 - 5.9-8.7 QB ALA 108 - HD2 PRO 113 far 0 100 0 - 7.9-11.2 Violated in 12 structures by 0.30 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 3.9-6.0 11499/10124=98...(17) QG2 THR 115 + HD3 PRO 117 OK 72 73 100 99 4.3-5.4 11575=83, 10179/3.8=71...(10) Violated in 0 structures by 0.00 A. Peak 11561 from aliabs.peaks (1.39, 3.94, 50.81 ppm; 5.91 A): 2 out of 6 assignments used, quality = 0.89: QB ALA 109 + HD3 PRO 113 OK 85 100 85 100 3.6-10.4 10135/10124=93...(7) QB ALA 109 + HD3 PRO 117 OK 25 73 35 99 4.4-8.9 10229/4.8=67...(7) QB ALA 110 - HD3 PRO 113 far 15 99 15 - 6.0-8.7 QB ALA 108 - HD3 PRO 117 poor 13 67 20 - 4.9-11.5 QB ALA 110 - HD3 PRO 117 far 7 70 10 - 4.3-13.8 QB ALA 108 - HD3 PRO 113 far 0 97 0 - 7.2-11.6 Violated in 10 structures by 0.25 A. Peak 11562 from aliabs.peaks (2.04, 4.42, 59.83 ppm; 4.32 A): 1 out of 5 assignments used, quality = 0.93: HG3 PRO 113 + HA VAL 112 OK 93 93 100 100 4.3-4.5 2.3/3569=96, 2.3/3567=95...(37) HG3 PRO 58 - HA VAL 112 far 0 83 0 - 7.5-12.5 HG2 PRO 58 - HA VAL 112 far 0 89 0 - 8.0-12.5 HB VAL 118 - HA VAL 112 far 0 78 0 - 8.4-12.7 HB2 LEU 62 - HA VAL 112 far 0 93 0 - 9.2-12.6 Violated in 10 structures by 0.05 A. Peak 11563 from aliabs.peaks (0.96, 4.36, 63.99 ppm; 3.92 A): 2 out of 7 assignments used, quality = 0.72: QG1 VAL 112 + HA PRO 113 OK 65 100 65 100 4.0-5.0 10125/3.6=60...(13) QD1 LEU 119 + HA PRO 113 OK 22 68 60 53 2.5-5.5 10160/7591=25...(7) QG2 ILE 37 - HA CYS 73 poor 5 25 20 - 4.4-5.5 QG1 VAL 57 - HA PRO 113 far 0 78 0 - 5.2-10.5 QD2 LEU 53 - HA PRO 113 far 0 100 0 - 5.9-10.3 QG2 VAL 126 - HA CYS 73 far 0 54 0 - 7.1-9.5 QG1 VAL 126 - HA CYS 73 far 0 52 0 - 7.3-9.1 Violated in 14 structures by 0.17 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 5.5-5.8 ~10140=75, 10131/3.6=72...(13) QD1 LEU 62 - HA PRO 113 lone 4 98 85 4 4.9-7.9 10165/10150=2 QG1 VAL 118 - HA PRO 113 far 0 97 0 - 6.7-11.3 QD1 LEU 49 - HA CYS 73 far 0 52 0 - 8.0-12.1 QD2 LEU 123 - HA PRO 113 far 0 78 0 - 8.6-13.3 QG2 VAL 63 - HA PRO 113 far 0 99 0 - 8.7-12.2 QG1 VAL 20 - HA CYS 73 far 0 54 0 - 9.4-28.8 Violated in 0 structures by 0.00 A. Peak 11565 from aliabs.peaks (1.53, 4.36, 63.99 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.40: HB3 LEU 42 + HA CYS 73 OK 40 45 95 94 4.5-6.8 3.2/9570=42, ~9565=36...(12) HG LEU 69 - HA CYS 73 far 7 46 15 - 5.0-8.6 HB2 LEU 119 - HA PRO 113 far 0 90 0 - 5.8-9.0 HB2 LEU 53 - HA PRO 113 far 0 99 0 - 6.3-11.8 HG13 ILE 37 - HA CYS 73 far 0 32 0 - 7.1-8.9 Violated in 17 structures by 0.41 A. Peak 11566 from aliabs.peaks (4.44, 1.91, 31.65 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.73: HA VAL 112 + HB2 PRO 113 OK 73 73 100 100 4.8-4.8 3566/3.0=61, 3568/3.0=61...(42) HA PRO 58 - HB2 PRO 113 far 5 97 5 - 4.9-11.5 HA THR 54 - HB2 PRO 113 far 0 85 0 - 6.1-12.4 HB THR 54 - HB2 PRO 113 far 0 81 0 - 8.2-14.2 HA ASN 120 - HB2 PRO 113 far 0 83 0 - 9.1-14.4 Violated in 20 structures by 0.42 A. Peak 11567 from aliabs.peaks (4.43, 2.27, 31.65 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.55: HA SER 106 + HB VAL 105 OK 55 55 100 100 3.8-4.5 2.9/7537=72...(17) HA VAL 112 - HB3 PRO 113 far 0 97 0 - 5.5-5.6 HA PRO 58 - HB3 PRO 113 far 0 71 0 - 6.0-12.9 HA MET 11 - HB VAL 105 far 0 85 0 - 6.4-53.3 HA THR 54 - HB3 PRO 113 far 0 100 0 - 7.0-11.7 HA ASN 120 - HB3 PRO 113 far 0 99 0 - 9.6-13.0 Violated in 15 structures by 0.13 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 4.3-4.5 11545=99, 3569/2.3=97...(40) HA THR 115 - HG2 PRO 113 far 0 85 0 - 6.4-9.2 HA THR 54 - HG2 PRO 113 far 0 99 0 - 7.8-14.1 Violated in 2 structures by 0.00 A. Peak 11569 from aliabs.peaks (4.43, 2.06, 27.50 ppm; 4.36 A): 2 out of 12 assignments used, quality = 0.97: HA VAL 112 + HG3 PRO 113 OK 95 95 100 100 4.3-4.5 3569/2.3=88, 3567/2.3=87...(37) HA PRO 58 + HG3 PRO 58 OK 52 52 100 100 4.0-4.0 3.8=100 HA PRO 58 - HG3 PRO 113 far 0 78 0 - 6.6-12.6 HA HIS 5 - HG2 PRO 117 far 0 64 0 - 7.0-72.1 HA VAL 112 - HG3 PRO 58 far 0 67 0 - 7.5-12.5 HA ASN 120 - HB2 GLN 127 far 0 77 0 - 7.8-9.9 HA HIS 5 - HG3 PRO 117 far 0 64 0 - 8.0-73.9 HA SER 106 - HG2 PRO 117 far 0 56 0 - 8.1-13.4 HA ASN 120 - HG2 PRO 117 far 0 83 0 - 8.8-9.2 HA THR 54 - HG3 PRO 113 far 0 99 0 - 8.9-13.6 HA SER 106 - HG3 PRO 117 far 0 56 0 - 8.9-14.6 HA ASN 120 - HG3 PRO 117 far 0 83 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 11570 from aliabs.peaks (2.12, 3.70, 50.81 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: HB VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.7-4.0 10130=94, 2.1/10125=72...(39) HB2 PRO 56 - HD2 PRO 113 far 5 93 5 - 4.3-9.4 HB VAL 57 - HD2 PRO 113 far 0 60 0 - 9.1-12.9 Violated in 12 structures by 0.25 A. Peak 11571 from aliabs.peaks (2.13, 3.94, 50.81 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.46: HB VAL 112 + HD3 PRO 113 OK 46 92 50 100 4.0-4.9 10129=87, 2.1/10124=82...(38) HB2 PRO 56 - HD3 PRO 113 far 15 100 15 - 3.1-9.0 HB VAL 112 - HD3 PRO 117 far 0 62 0 - 5.2-9.8 HB3 GLN 61 - HD3 PRO 113 far 0 57 0 - 9.4-13.5 Violated in 20 structures by 0.74 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 4.3-4.7 10150=99, 7591/2.9=98...(10) HA PRO 117 - HA3 GLY 114 far 15 100 15 - 4.8-8.5 HA SER 107 - HA3 GLY 114 far 0 81 0 - 8.8-15.8 Violated in 0 structures by 0.00 A. Peak 11573 from aliabs.peaks (4.37, 3.88, 45.18 ppm; 3.68 A): 2 out of 8 assignments used, quality = 0.94: HA PRO 113 + HA2 GLY 114 OK 81 97 85 97 4.3-4.8 7591/2.9=73...(10) HA THR 115 + HA2 GLY 114 OK 69 73 95 100 4.3-4.7 3.0/7603=61...(15) HA CYS 73 - HA3 GLY 75 far 0 73 0 - 5.7-6.5 HA PRO 117 - HA2 GLY 114 far 0 97 0 - 5.8-9.4 HA ASP 78 - HA3 GLY 75 far 0 69 0 - 5.9-8.0 HA SER 107 - HA2 GLY 114 far 0 93 0 - 7.1-15.8 HA SER 33 - HA3 GLY 75 far 0 59 0 - 8.6-13.1 HA LEU 69 - HA3 GLY 75 far 0 40 0 - 8.7-11.1 Violated in 20 structures by 0.24 A. Peak 11574 from aliabs.peaks (4.11, 1.13, 21.32 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.98: HA3 GLY 114 + QG2 THR 115 OK 98 98 100 100 4.8-5.3 10164=90, 7604/7607=80...(11) HA GLN 104 - QG2 THR 115 far 0 68 0 - 7.4-13.1 Violated in 20 structures by 0.43 A. Peak 11575 from aliabs.peaks (3.95, 1.13, 21.32 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.36: HD3 PRO 117 + QG2 THR 115 OK 36 100 45 79 4.3-5.4 10197/4.2=39...(7) HD3 PRO 113 - QG2 THR 115 far 9 89 10 - 3.9-6.0 HB3 SER 107 - QG2 THR 115 far 5 99 5 - 4.8-13.5 HA3 GLY 111 - QG2 THR 115 far 5 99 5 - 4.3-7.7 HA2 GLY 111 - QG2 THR 115 far 4 78 5 - 4.3-7.5 HB2 SER 106 - QG2 THR 115 far 0 95 0 - 5.6-13.0 HB3 SER 106 - QG2 THR 115 far 0 68 0 - 6.1-12.2 HA LEU 100 - QG2 THR 115 far 0 97 0 - 9.6-12.1 Violated in 20 structures by 1.00 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 5 92 5 - 5.2-12.9 QB ALA 108 - HA THR 115 far 0 99 0 - 7.3-13.0 QB ALA 110 - HA THR 115 far 0 97 0 - 8.2-11.8 Violated in 20 structures by 2.17 A. Peak 11577 from aliabs.peaks (0.97, 4.40, 61.45 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.50: QG1 VAL 112 + HA THR 115 OK 50 100 50 100 3.9-6.0 11499/3645=87...(24) QD2 LEU 53 - HA THR 115 far 0 100 0 - 7.0-13.0 Violated in 17 structures by 0.82 A. Peak 11578 from aliabs.peaks (0.79, 4.40, 61.45 ppm; 5.28 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 119 - HA THR 115 far 15 100 15 - 5.7-8.8 QD1 LEU 103 - HA THR 115 far 0 95 0 - 7.7-12.0 QD1 LEU 53 - HA THR 115 far 0 100 0 - 8.9-14.6 Violated in 20 structures by 1.20 A. Peak 11579 from aliabs.peaks (1.87, 4.97, 51.55 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.65: HB3 LEU 119 + HA ASN 116 OK 65 100 65 100 5.8-8.6 3.0/11583=86...(28) Violated in 20 structures by 0.90 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 4.8-5.2 10248=100, 3.0/3667=98...(21) HG2 GLU 102 - HA ASN 116 far 0 63 0 - 7.6-13.1 Violated in 0 structures by 0.00 A. Peak 11581 from aliabs.peaks (1.59, 4.97, 51.55 ppm; 5.38 A): 1 out of 4 assignments used, quality = 0.44: HG LEU 119 + HA ASN 116 OK 44 63 70 100 4.0-6.9 2.1/11583=89, ~10295=64...(34) HB2 LEU 103 - HA ASN 116 far 9 90 10 - 5.8-9.4 HG LEU 122 - HA ASN 116 far 0 97 0 - 8.8-12.9 HB2 LEU 122 - HA ASN 116 far 0 92 0 - 9.1-12.8 Violated in 10 structures by 0.47 A. Peak 11582 from aliabs.peaks (1.40, 4.97, 51.55 ppm; 6.15 A): 1 out of 3 assignments used, quality = 0.59: QB ALA 109 + HA ASN 116 OK 59 92 65 100 4.0-9.0 10229/2.9=87...(9) QB ALA 108 - HA ASN 116 poor 19 76 25 - 5.1-11.1 QB ALA 110 - HA ASN 116 far 8 83 10 - 4.5-12.5 Violated in 13 structures by 0.62 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 3.6-4.6 10295/3.0=80...(32) QG2 VAL 112 - HA ASN 116 far 9 87 10 - 3.5-8.1 QG1 VAL 112 - HA ASN 116 far 7 73 10 - 4.5-7.5 QD1 LEU 62 - HA ASN 116 far 0 63 0 - 6.4-8.5 QD2 LEU 53 - HA ASN 116 far 0 71 0 - 7.3-11.4 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 = 0.88: HG LEU 119 + HB3 ASN 116 OK 88 98 90 100 1.9-6.9 2.1/10295=96...(28) HG LEU 122 - HB3 ASN 116 far 0 99 0 - 6.9-11.6 HB2 LEU 122 - HB3 ASN 116 far 0 100 0 - 7.9-12.1 Violated in 6 structures by 0.21 A. Peak 11585 from aliabs.peaks (1.86, 2.93, 38.65 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.88: HB3 LEU 119 + HB3 ASN 116 OK 88 98 90 100 3.9-8.0 3.0/10295=95...(23) HB3 LEU 123 - HB3 ASN 116 far 0 90 0 - 8.7-11.7 Violated in 10 structures by 0.48 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 3.8-6.6 2.3/10239=94...(31) HB VAL 118 + HB3 ASN 116 OK 99 99 100 100 2.8-4.8 10199/7616=72...(16) HG3 PRO 117 + HB3 ASN 116 OK 80 99 80 100 4.7-7.0 2.3/10239=94...(29) HG3 PRO 113 - HB3 ASN 116 far 5 100 5 - 6.2-12.0 HB2 GLU 102 - HB3 ASN 116 far 4 73 5 - 5.7-12.0 HB2 LEU 62 - HB3 ASN 116 far 0 100 0 - 7.0-9.7 Violated in 0 structures by 0.00 A. Peak 11587 from aliabs.peaks (4.29, 4.97, 51.55 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.92: HB THR 115 + HA ASN 116 OK 92 92 100 100 5.5-5.8 7612/2.9=82, 10178=79...(12) HA ALA 109 - HA ASN 116 far 5 97 5 - 5.8-11.4 HA ALA 110 - HA ASN 116 far 0 100 0 - 7.5-14.3 HA ALA 108 - HA ASN 116 far 0 97 0 - 8.3-14.2 Violated in 20 structures by 0.56 A. Peak 11588 from aliabs.peaks (4.36, 4.97, 51.55 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.99: HA PRO 117 + HA ASN 116 OK 99 99 100 100 4.4-4.6 4.8=95, 3.6/3667=79...(11) HA PRO 113 - HA ASN 116 far 5 98 5 - 5.5-9.8 HA ASN 59 - HA ASN 116 far 0 78 0 - 8.0-10.4 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 = 0.80: HB3 ASP 64 + HB VAL 63 OK 49 49 100 100 3.8-4.4 10969/2.1=62...(16) HB3 ASN 120 + HB3 PRO 117 OK 45 100 45 100 4.5-7.2 10301/1.8=82...(11) HB2 ASN 120 + HB3 PRO 117 OK 30 100 30 100 4.2-6.9 ~10301=60, ~10242=57...(12) HB2 ASN 121 - HB3 PRO 117 far 5 100 5 - 4.0-7.5 Violated in 0 structures by 0.00 A. Peak 11590 from aliabs.peaks (1.00, 2.01, 31.74 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 118 + HB3 PRO 117 OK 99 100 100 99 3.8-4.6 10272/2.3=63...(20) QG2 VAL 105 - HB VAL 63 far 0 49 0 - 7.5-9.2 QG2 VAL 118 - HB VAL 63 far 0 49 0 - 8.4-10.0 QG2 VAL 105 - HB3 PRO 117 far 0 100 0 - 9.8-12.4 Violated in 16 structures by 0.22 A. Peak 11591 from aliabs.peaks (1.14, 2.05, 27.30 ppm; 4.30 A): 3 out of 11 assignments used, quality = 0.90: QG1 VAL 132 + HG3 ARG 135 OK 58 58 100 100 2.1-4.6 10534=62, 11659/2.9=60...(42) QG2 VAL 132 + HG3 ARG 135 OK 58 61 95 100 3.6-5.5 3.2/10526=49...(44) QG2 THR 115 + HG3 PRO 113 OK 41 84 50 98 2.6-6.1 2.1/10189=62...(9) HG2 LYS 39 - HG3 PRO 81 poor 17 100 50 34 3.1-10.2 11778/10574=16...(9) HG3 LYS 39 - HG3 PRO 81 far 11 70 15 - 4.2-11.8 QG1 VAL 132 - HG3 PRO 81 far 0 98 0 - 5.5-8.1 QG2 THR 115 - HG3 PRO 117 far 0 99 0 - 5.7-7.5 QG2 THR 115 - HG2 PRO 117 far 0 99 0 - 6.2-7.2 HG2 LYS 39 - HG3 ARG 135 far 0 61 0 - 7.6-11.6 QG2 VAL 132 - HG3 PRO 81 far 0 100 0 - 7.9-10.6 HG3 LYS 39 - HG3 ARG 135 far 0 36 0 - 8.2-12.5 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 12 assignments used, quality = 0.99: QG2 VAL 118 + HG2 PRO 117 OK 87 89 100 98 2.7-3.5 11528/2.3=62...(18) QG2 VAL 118 + HG3 PRO 117 OK 86 89 100 97 4.3-4.9 11528/2.3=62...(15) QG1 VAL 112 + HG3 PRO 113 OK 64 64 100 100 3.0-3.5 11504/2.3=80...(40) QG1 VAL 112 - HG3 PRO 117 far 0 81 0 - 6.9-11.1 QG1 VAL 112 - HG2 PRO 117 far 0 81 0 - 7.4-11.1 QD2 LEU 53 - HG3 PRO 113 far 0 66 0 - 8.1-13.1 QG2 VAL 105 - HG2 PRO 117 far 0 78 0 - 8.1-11.4 QD2 LEU 53 - HG2 PRO 117 far 0 83 0 - 8.3-11.9 QD2 LEU 53 - HG3 PRO 117 far 0 83 0 - 9.0-12.4 QG2 VAL 105 - HG3 PRO 117 far 0 78 0 - 9.2-12.8 QG2 VAL 118 - HG3 PRO 113 far 0 72 0 - 9.7-13.2 QD1 LEU 69 - HG3 ARG 135 far 0 41 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 11593 from aliabs.peaks (4.88, 3.86, 50.85 ppm; 4.77 A): 0 out of 0 assignments used, quality = 0.00: Peak 11594 from aliabs.peaks (2.96, 2.06, 31.39 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.97: HB3 ASN 121 + HB VAL 118 OK 97 97 100 100 4.6-5.6 11601/2.1=93...(30) Violated in 1 structures by 0.01 A. Peak 11595 from aliabs.peaks (2.79, 2.06, 31.39 ppm; 5.74 A): 1 out of 3 assignments used, quality = 0.59: HB2 ASN 121 + HB VAL 118 OK 59 98 60 100 5.0-7.3 11604/2.1=95...(30) HB3 ASN 120 - HB VAL 118 far 14 96 15 - 6.4-8.5 HB2 ASN 120 - HB VAL 118 far 5 93 5 - 6.3-8.8 Violated in 19 structures by 0.78 A. Peak 11596 from aliabs.peaks (4.27, 2.06, 31.39 ppm; 4.79 A): 0 out of 4 assignments used, quality = 0.00: HA ALA 109 - HB VAL 118 far 0 99 0 - 6.5-12.4 HA ALA 108 - HB VAL 118 far 0 99 0 - 6.8-13.1 HB THR 115 - HB VAL 118 far 0 100 0 - 8.6-10.2 HA ALA 110 - HB VAL 118 far 0 93 0 - 8.8-14.7 Violated in 20 structures by 3.30 A. Peak 11597 from aliabs.peaks (4.38, 2.06, 31.39 ppm; 5.08 A): 1 out of 4 assignments used, quality = 0.90: HA PRO 117 + HB VAL 118 OK 90 90 100 100 5.4-5.7 10272/2.1=90...(10) HA SER 107 - HB VAL 118 far 10 98 10 - 5.7-10.6 HA PRO 113 - HB VAL 118 far 0 92 0 - 6.4-11.8 HA THR 115 - HB VAL 118 far 0 85 0 - 8.5-9.2 Violated in 20 structures by 0.53 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 93 100 95 98 2.5-4.5 11836=49, 3.0/11705=30...(17) HB3 SER 99 + QG1 VAL 118 OK 87 93 100 93 1.9-3.4 3.0/11599=40...(21) HA LEU 119 + QG1 VAL 118 OK 78 93 100 83 3.1-3.6 ~7648=23, ~3753=23...(16) HA LEU 122 - QG1 VAL 118 poor 13 63 20 - 4.0-5.5 HA LYS 95 - QG1 VAL 118 far 0 95 0 - 7.4-9.0 HA SER 60 - QG1 VAL 118 far 0 100 0 - 7.6-9.1 HB3 SER 124 - QG1 VAL 118 far 0 100 0 - 7.6-9.2 HB2 SER 124 - QG1 VAL 118 far 0 78 0 - 7.7-9.4 HA SER 50 - QG1 VAL 118 far 0 92 0 - 8.6-10.8 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 2.6-3.6 11482=68, 10271/2.1=66...(18) HA SER 124 - QG1 VAL 118 far 0 100 0 - 8.7-10.0 HA SER 94 - QG1 VAL 118 far 0 100 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 11600 from aliabs.peaks (4.35, 0.89, 21.66 ppm; 5.20 A): 1 out of 4 assignments used, quality = 0.97: HA PRO 117 + QG1 VAL 118 OK 97 97 100 100 5.9-6.1 3.6/7641=82, ~11590=69...(9) HA ASN 59 - QG1 VAL 118 poor 14 83 35 47 5.3-7.4 9362/11822=17...(8) HA PRO 113 - QG1 VAL 118 far 0 97 0 - 6.7-11.3 HA CYS 125 - QG1 VAL 118 far 0 100 0 - 8.2-9.9 Violated in 20 structures by 0.82 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 2.9-3.6 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 3.8-4.6 11604/2.1=79...(35) HB2 ASN 120 - QG1 VAL 118 far 0 100 0 - 5.7-7.3 HB3 ASN 120 - QG1 VAL 118 far 0 100 0 - 6.1-7.3 HB3 ASP 64 - QG1 VAL 118 far 0 100 0 - 9.8-10.9 Violated in 8 structures by 0.04 A. Peak 11603 from aliabs.peaks (2.96, 1.00, 22.19 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.94: HB3 ASN 121 + QG2 VAL 118 OK 89 89 100 100 3.7-4.7 1.8/11604=76...(28) HB3 ASN 116 + QG2 VAL 118 OK 49 65 80 94 2.2-5.6 3.5/10278=53...(14) Violated in 0 structures by 0.00 A. Peak 11604 from aliabs.peaks (2.80, 1.00, 22.19 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.75: HB2 ASN 121 + QG2 VAL 118 OK 75 100 75 100 3.8-6.0 11602/2.1=64...(30) HB2 ASN 120 - QG2 VAL 118 far 0 100 0 - 5.7-7.9 HB3 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.1-8.0 Violated in 19 structures by 0.82 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 4.6-5.5 3.0/3735=91, 3.0/3734=91...(31) HA SER 106 - HA VAL 118 far 0 76 0 - 9.4-13.0 Violated in 1 structures by 0.01 A. Peak 11606 from aliabs.peaks (2.22, 0.89, 21.66 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.43: HB3 GLU 102 + QG1 VAL 118 OK 43 97 45 100 2.7-5.8 11545/2.1=75...(22) HB3 GLN 104 - QG1 VAL 118 far 0 99 0 - 5.3-7.9 HB2 GLN 101 - QG1 VAL 118 far 0 96 0 - 6.6-8.0 HB2 GLN 104 - QG1 VAL 118 far 0 60 0 - 6.6-8.4 HB3 LEU 96 - QG1 VAL 118 far 0 71 0 - 6.9-8.6 HB3 GLU 97 - QG1 VAL 118 far 0 100 0 - 7.8-8.9 HG2 GLU 97 - QG1 VAL 118 far 0 71 0 - 8.2-9.6 HB3 GLN 127 - QG1 VAL 118 far 0 100 0 - 9.7-12.6 Violated in 17 structures by 0.89 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: HB3 GLN 104 - QG2 VAL 118 far 0 65 0 - 6.6-8.8 HB2 GLN 101 - QG2 VAL 118 far 0 98 0 - 6.9-8.8 HB2 GLN 104 - QG2 VAL 118 far 0 99 0 - 7.8-9.4 HB3 GLU 97 - QG2 VAL 118 far 0 76 0 - 8.9-10.5 Violated in 20 structures by 2.83 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 14 96 15 - 4.4-9.3 HB2 PRO 117 - HB VAL 118 far 0 87 0 - 6.7-7.1 Violated in 20 structures by 1.74 A. Peak 11609 from aliabs.peaks (1.79, 1.00, 22.19 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.88: HB3 LEU 103 + QG2 VAL 118 OK 85 100 85 100 2.5-5.5 3.2/10265=81...(34) HB3 LEU 122 + QG2 VAL 118 OK 24 100 25 96 4.7-6.6 ~11748=34, ~7718=22...(24) HB3 LEU 98 - QG2 VAL 118 far 0 100 0 - 5.8-8.2 HG LEU 100 - QG2 VAL 118 far 0 92 0 - 6.0-8.5 Violated in 11 structures by 0.19 A. Peak 11610 from aliabs.peaks (0.78, 3.81, 64.89 ppm; 4.38 A): 4 out of 8 assignments used, quality = 0.97: QD1 LEU 103 + HA VAL 118 OK 75 100 75 100 3.9-7.1 10265/3749=84...(31) QD2 LEU 122 + HA VAL 118 OK 63 99 65 98 3.4-6.9 5.1/7718=31...(33) QD2 LEU 119 + HA VAL 118 OK 53 97 55 100 3.8-6.8 3789/3.5=53, 3790/4.9=50...(21) QD1 LEU 122 + HA VAL 118 OK 22 65 35 97 3.8-6.3 4.3/7718=36...(33) QD1 LEU 53 - HA VAL 118 far 0 93 0 - 6.5-10.0 QD1 LEU 96 - HA VAL 118 far 0 99 0 - 7.1-8.6 QD2 LEU 49 - HA VAL 118 far 0 87 0 - 7.7-10.4 QG1 VAL 63 - HA VAL 118 far 0 100 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 11611 from aliabs.peaks (0.77, 2.06, 31.39 ppm; 3.32 A): 3 out of 7 assignments used, quality = 0.91: QD1 LEU 103 + HB VAL 118 OK 81 97 85 99 1.8-5.6 10265/2.1=64, 10069=41...(29) QD2 LEU 119 + HB VAL 118 OK 41 85 55 88 2.5-5.8 2.1/10258=28...(16) QD2 LEU 122 + HB VAL 118 OK 22 90 30 82 3.3-7.4 11612/2.1=17...(25) QD1 LEU 53 - HB VAL 118 far 0 76 0 - 7.0-10.7 QD2 LEU 49 - HB VAL 118 far 0 65 0 - 7.7-10.5 QG1 VAL 63 - HB VAL 118 far 0 96 0 - 7.7-9.2 QD1 LEU 96 - HB VAL 118 far 0 100 0 - 7.8-9.0 Violated in 3 structures by 0.04 A. Peak 11612 from aliabs.peaks (0.79, 0.89, 21.66 ppm; 2.76 A): 4 out of 9 assignments used, quality = 0.96: QD1 LEU 103 + QG1 VAL 118 OK 82 100 85 96 1.7-3.8 10265/2.1=49...(27) QD2 LEU 122 + QG1 VAL 118 OK 52 100 65 81 1.7-5.1 5.1/11748=13...(27) QD2 LEU 119 + QG1 VAL 118 OK 33 100 45 74 2.8-5.2 3789/4.1=17...(16) QD1 LEU 122 + QG1 VAL 118 OK 23 83 40 71 1.8-4.4 4.3/11748=16...(21) QD1 LEU 53 - QG1 VAL 118 far 0 99 0 - 4.7-8.7 QD1 LEU 96 - QG1 VAL 118 far 0 95 0 - 4.8-5.9 QD2 LEU 49 - QG1 VAL 118 far 0 97 0 - 5.1-7.6 QG1 VAL 63 - QG1 VAL 118 far 0 100 0 - 5.6-6.5 QD1 LEU 70 - QG1 VAL 118 far 0 68 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 11614 from aliabs.peaks (2.81, 4.03, 57.80 ppm; 5.45 A): 1 out of 3 assignments used, quality = 0.83: HB3 ASN 120 + HA LEU 119 OK 83 98 85 100 5.6-6.5 4.4/7691=54, 7670/3.6=45...(19) HB2 ASN 120 - HA LEU 119 far 15 99 15 - 5.6-6.6 HB2 ASN 121 - HA LEU 119 far 5 96 5 - 5.9-7.4 Violated in 20 structures by 0.29 A. Peak 11615 from aliabs.peaks (2.82, 1.54, 40.68 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.99: HB2 ASN 120 + HB2 LEU 119 OK 87 87 100 100 5.4-7.4 3.8/7664=97, ~11614=77...(19) HB3 ASN 120 + HB2 LEU 119 OK 83 83 100 100 4.4-7.5 3.8/7664=97...(16) HB2 ASN 116 + HB2 LEU 119 OK 44 63 70 100 4.7-8.3 ~10295=92, 10294/3.0=90...(23) HB2 ASN 121 - HB2 LEU 119 far 4 76 5 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 11616 from aliabs.peaks (2.95, 1.87, 40.68 ppm; 5.78 A): 2 out of 2 assignments used, quality = 0.81: HB3 ASN 116 + HB3 LEU 119 OK 75 83 90 100 3.9-8.0 1.8/10224=92, ~10294=77...(23) HB3 ASN 121 + HB3 LEU 119 OK 26 73 45 79 6.3-7.5 10299/7665=55...(5) Violated in 3 structures by 0.10 A. Peak 11617 from aliabs.peaks (2.95, 1.54, 40.68 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.93: HB3 ASN 116 + HB2 LEU 119 OK 83 83 100 100 4.6-7.5 ~10294=92, ~10224=91...(23) HB3 ASN 121 + HB2 LEU 119 OK 61 73 100 84 6.9-7.7 10299/7664=63...(7) Violated in 0 structures by 0.00 A. Peak 11618 from aliabs.peaks (2.94, 1.62, 27.00 ppm; 5.10 A): 1 out of 25 assignments used, quality = 0.86: HB3 ASN 116 + HG LEU 119 OK 86 96 90 100 1.9-6.9 11584=90, 10295/2.1=85...(28) HE3 LYS 24 - HG LEU 22 poor 19 95 40 49 2.2-10.4 ~10812=19, 10757/2.1=14...(8) HE2 LYS 24 - HG LEU 22 poor 18 92 20 - 2.1-10.1 HE2 LYS 24 - HG3 ARG 23 far 10 98 10 - 3.6-11.2 HE2 LYS 31 - HG LEU 22 far 9 85 10 - 5.4-24.4 HE3 LYS 24 - HG3 ARG 23 far 5 100 5 - 4.2-10.4 HE3 LYS 31 - HG3 ARG 23 far 5 98 5 - 5.7-21.0 HE2 LYS 26 - HG3 ARG 23 far 5 93 5 - 2.6-14.6 HE2 LYS 31 - HG3 ARG 23 far 5 93 5 - 4.4-22.5 HE3 LYS 31 - HG LEU 22 far 5 92 5 - 4.9-25.8 HE3 LYS 26 - HG3 ARG 23 far 4 88 5 - 4.1-12.9 HD2 ARG 135 - HG2 ARG 84 far 2 48 5 - 5.0-11.7 HD2 ARG 135 - HG3 ARG 84 far 2 39 5 - 5.7-10.8 HE3 LYS 19 - HG3 ARG 23 far 0 96 0 - 6.2-14.7 HB3 ASN 116 - HG LEU 122 far 0 62 0 - 6.9-11.6 HE3 LYS 86 - HG2 ARG 84 far 0 59 0 - 7.1-11.6 HE2 LYS 26 - HG LEU 22 far 0 85 0 - 7.5-17.2 HE3 LYS 26 - HG LEU 22 far 0 80 0 - 7.5-16.6 HE2 LYS 19 - HG3 ARG 23 far 0 96 0 - 7.8-15.0 HE3 LYS 86 - HG3 ARG 84 far 0 49 0 - 8.0-11.8 HB2 CYS 45 - HG LEU 70 far 0 87 0 - 8.2-11.9 HE3 LYS 19 - HG LEU 22 far 0 89 0 - 8.4-14.5 HE2 LYS 19 - HG LEU 22 far 0 89 0 - 9.2-14.7 HE2 LYS 19 - HG LEU 70 far 0 86 0 - 9.9-33.7 HE2 LYS 36 - HG LEU 70 far 0 80 0 - 10.0-15.6 Violated in 5 structures by 0.20 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 - 6.8-9.1 Violated in 20 structures by 2.95 A. Peak 11621 from aliabs.peaks (4.17, 0.79, 23.00 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.40: HA LEU 53 + QD2 LEU 119 OK 40 97 60 69 2.7-6.8 1641=32, 1638/3.1=21...(9) HA VAL 105 - QD2 LEU 119 far 0 98 0 - 8.8-13.9 Violated in 13 structures by 0.80 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: HA ALA 108 - QD2 LEU 119 far 0 97 0 - 5.2-13.3 HB THR 115 - QD2 LEU 119 far 0 90 0 - 5.5-8.5 HA ALA 110 - QD2 LEU 119 far 0 100 0 - 5.6-12.7 HA ALA 109 - QD2 LEU 119 far 0 97 0 - 7.3-11.9 HA GLN 61 - QD2 LEU 119 far 0 98 0 - 7.7-11.6 Violated in 20 structures by 1.85 A. Peak 11623 from aliabs.peaks (4.40, 0.94, 25.07 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.64: HA THR 115 + QD1 LEU 119 OK 64 99 65 100 4.0-6.9 3.0/10296=63...(13) HA VAL 112 - QD1 LEU 119 far 9 93 10 - 4.5-7.6 HA SER 107 - QD1 LEU 119 far 5 90 5 - 4.6-10.4 HA ASN 120 - QD1 LEU 119 far 0 87 0 - 5.2-6.0 HA THR 54 - QD1 LEU 119 far 0 85 0 - 5.8-9.0 Violated in 18 structures by 0.88 A. Peak 11624 from aliabs.peaks (2.06, 0.94, 25.07 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.77: HB VAL 118 + QD1 LEU 119 OK 59 100 60 99 2.7-5.3 7648/3797=50...(19) HB2 LEU 62 + QD1 LEU 119 OK 44 99 45 98 4.3-6.4 10951/3.0=47, ~10992=41...(31) HB VAL 57 - QD1 LEU 119 far 0 68 0 - 5.2-8.2 HG3 PRO 113 - QD1 LEU 119 far 0 99 0 - 5.8-7.9 HG2 PRO 117 - QD1 LEU 119 far 0 96 0 - 5.8-7.2 HG3 PRO 117 - QD1 LEU 119 far 0 96 0 - 6.4-7.8 HB3 GLU 55 - QD1 LEU 119 far 0 78 0 - 6.7-11.1 HB2 GLU 102 - QD1 LEU 119 far 0 87 0 - 7.3-11.4 HG3 PRO 58 - QD1 LEU 119 far 0 100 0 - 8.0-10.5 Violated in 11 structures by 0.13 A. Peak 11625 from aliabs.peaks (4.37, 2.80, 37.41 ppm; 3.64 A): 2 out of 11 assignments used, quality = 0.86: HA PRO 117 + HB3 ASN 120 OK 76 97 80 99 3.1-5.6 11968=70, 2.3/10301=50...(12) HA PRO 117 + HB2 ASN 120 OK 43 96 45 99 3.3-5.9 11968/1.8=60...(14) HA THR 115 - HB3 ASN 120 far 0 73 0 - 6.2-11.3 HA GLN 134 - HB3 ASN 85 far 0 44 0 - 6.8-8.9 HA PRO 113 - HB2 ASN 120 far 0 97 0 - 7.4-14.0 HA PRO 113 - HB3 ASN 120 far 0 97 0 - 7.5-13.3 HA THR 115 - HB2 ASN 120 far 0 73 0 - 7.6-11.6 HA ASP 78 - HB3 ASN 85 far 0 61 0 - 8.7-10.4 HA CYS 125 - HB3 ASN 120 far 0 85 0 - 9.0-11.2 HA CYS 125 - HB2 ASN 120 far 0 84 0 - 9.1-10.7 HA CYS 73 - HB3 ASN 85 far 0 65 0 - 9.6-10.6 Violated in 1 structures by 0.07 A. Peak 11626 from aliabs.peaks (4.49, 2.80, 37.41 ppm; 3.64 A): 1 out of 4 assignments used, quality = 0.78: HA ASN 121 + HB2 ASN 120 OK 78 100 85 93 3.9-5.0 3831=46, 3974/10300=37...(13) HA ASN 121 - HB3 ASN 120 far 15 100 15 - 3.9-5.7 HB THR 54 - HB3 ASN 120 far 0 71 0 - 8.5-13.5 HB THR 54 - HB2 ASN 120 far 0 70 0 - 9.0-13.6 Violated in 20 structures by 0.47 A. Peak 11628 from aliabs.peaks (0.90, 4.42, 55.85 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.81: QD2 LEU 123 + HA ASN 120 OK 59 85 70 100 2.2-5.3 2.1/11631=66...(20) QD1 LEU 123 + HA ASN 120 OK 55 73 75 99 3.4-5.4 11631=56, 3.2/3813=51...(22) QD1 LEU 62 - HA ASN 120 far 0 96 0 - 5.2-7.3 QD1 LEU 49 - HA ASN 120 far 0 97 0 - 6.0-10.2 QG1 VAL 118 - HA ASN 120 far 0 99 0 - 6.1-6.6 QG2 VAL 63 - HA ASN 120 far 0 98 0 - 9.4-11.4 Violated in 3 structures by 0.04 A. Peak 11629 from aliabs.peaks (0.80, 4.42, 55.85 ppm; 4.65 A): 2 out of 7 assignments used, quality = 0.97: QD1 LEU 53 + HA ASN 120 OK 93 100 100 93 3.2-5.5 11422/11565=63...(10) QD1 LEU 122 + HA ASN 120 OK 50 98 55 92 3.8-7.4 3899/7738=56...(12) QD2 LEU 119 - HA ASN 120 far 15 99 15 - 3.0-6.1 QD2 LEU 122 - HA ASN 120 far 5 97 5 - 5.4-7.4 QD1 LEU 103 - HA ASN 120 far 0 90 0 - 5.7-10.0 QD2 LEU 49 - HA ASN 120 far 0 100 0 - 6.2-9.3 QD1 LEU 96 - HA ASN 120 far 0 73 0 - 7.5-9.4 Violated in 4 structures by 0.05 A. Peak 11630 from aliabs.peaks (4.42, 1.57, 26.88 ppm; 4.88 A): 3 out of 8 assignments used, quality = 1.00: HA ASN 120 + HG LEU 123 OK 99 99 100 100 3.3-4.4 11565/2.1=92...(18) HA SER 107 + HG LEU 103 OK 32 59 75 71 3.7-6.7 11475/11428=20...(17) HA THR 54 + HG LEU 123 OK 29 99 30 99 4.5-8.9 ~11510=55, ~11583=54...(10) HA VAL 112 - HG LEU 103 far 0 96 0 - 7.9-13.4 HA ASN 120 - HG LEU 49 far 0 96 0 - 8.2-11.2 HA ASN 120 - HG LEU 103 far 0 94 0 - 8.7-12.2 HA THR 54 - HG LEU 49 far 0 96 0 - 9.1-12.9 HA ASP 71 - HG2 ARG 23 far 0 98 0 - 9.3-31.8 Violated in 0 structures by 0.00 A. Peak 11631 from aliabs.peaks (4.43, 0.93, 23.87 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.75: HA ASN 120 + QD1 LEU 123 OK 75 100 75 100 3.4-5.4 11565/2.1=71...(21) HA THR 54 - QD1 LEU 123 far 0 100 0 - 5.2-8.2 HA ASP 64 - QD1 LEU 48 far 0 33 0 - 7.0-9.0 HA THR 54 - QD1 LEU 48 far 0 52 0 - 9.7-12.1 Violated in 13 structures by 0.49 A. Peak 11632 from aliabs.peaks (4.41, 0.88, 25.15 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.80: HA ASN 120 + QD2 LEU 123 OK 69 99 70 100 2.2-5.3 11565=81, 11631/2.1=59...(21) HA THR 54 + QD2 LEU 123 OK 36 98 40 92 3.5-8.8 1698/11510=62, 9277=27...(10) HA THR 115 - QD2 LEU 123 far 0 90 0 - 9.0-14.4 Violated in 11 structures by 0.44 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 5.5-6.3 3917/3.0=98, ~10393=93...(10) HB2 GLU 128 - HB2 LEU 123 far 0 83 0 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 11634 from aliabs.peaks (4.43, 3.85, 58.17 ppm; 6.09 A): 2 out of 6 assignments used, quality = 0.99: HA ASN 120 + HA LEU 123 OK 98 98 100 100 4.6-5.8 7738/2.9=96, 3813/3.0=94...(14) HA ASP 64 + HA LEU 62 OK 38 45 100 84 6.7-7.0 3.6/6834=54, 2.9/9383=36...(5) HA THR 54 - HA LEU 123 far 0 99 0 - 7.5-12.5 HA PRO 58 - HA LEU 62 far 0 39 0 - 7.9-8.8 HA ASN 120 - HA LEU 62 far 0 55 0 - 9.3-10.9 HA THR 54 - HA LEU 62 far 0 56 0 - 9.9-12.7 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 5 assignments used, quality = 0.89: HA SER 124 + HA LEU 123 OK 89 89 100 100 4.7-4.8 4.9=100 HA SER 51 - HA LEU 123 far 0 98 0 - 7.7-9.9 HA HIS 67 - HA LEU 62 far 0 44 0 - 8.3-9.6 HA SER 99 - HA LEU 123 far 0 100 0 - 9.4-11.7 HA SER 51 - HA LEU 62 far 0 55 0 - 9.6-10.6 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 = 0.98: HA SER 50 + QD2 LEU 123 OK 98 99 100 98 1.8-4.2 11772/2.1=74...(25) HB3 SER 124 - QD2 LEU 123 far 10 97 10 - 4.3-6.1 HA LEU 119 - QD2 LEU 123 far 0 76 0 - 4.5-6.5 HB2 SER 124 - QD2 LEU 123 far 0 95 0 - 5.7-6.9 HB3 SER 51 - QD2 LEU 123 far 0 81 0 - 6.0-8.4 HB3 SER 99 - QD2 LEU 123 far 0 100 0 - 7.9-10.3 Violated in 5 structures by 0.13 A. Peak 11637 from aliabs.peaks (2.47, 0.93, 23.87 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.96: HG3 GLN 127 + QD1 LEU 123 OK 96 96 100 100 1.8-3.4 10437=92, 1.8/11579=75...(19) HG3 GLU 44 - QD1 LEU 48 far 0 41 0 - 5.9-8.4 HG2 GLU 55 - QD1 LEU 123 far 0 85 0 - 7.4-11.2 HG3 GLN 127 - QD1 LEU 48 far 0 46 0 - 8.1-11.5 HG2 GLU 55 - QD1 LEU 48 far 0 38 0 - 8.5-10.9 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 9 assignments used, quality = 1.00: HG2 GLN 127 + QD1 LEU 123 OK 100 100 100 100 1.9-3.7 10727=97, 1.8/10437=82...(19) HG3 GLN 68 - QD1 LEU 48 far 5 33 15 - 4.7-6.1 HG2 GLU 44 - QD1 LEU 48 far 0 29 0 - 6.0-9.1 HG2 GLU 128 - QD1 LEU 123 far 0 100 0 - 6.9-9.6 HG2 GLN 127 - QD1 LEU 48 far 0 52 0 - 7.9-11.1 HG2 GLN 27 - QD1 LEU 48 far 0 52 0 - 8.3-26.5 HG3 GLN 27 - QD1 LEU 48 far 0 51 0 - 9.0-27.0 HB2 PRO 117 - QD1 LEU 123 far 0 90 0 - 9.8-12.0 HG3 GLN 68 - QD1 LEU 123 far 0 76 0 - 9.9-12.4 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 8 assignments used, quality = 0.89: QD1 LEU 53 + QD2 LEU 123 OK 89 96 100 93 1.7-3.5 9278/11510=36...(20) QD2 LEU 49 - QD2 LEU 123 poor 18 90 45 45 2.9-6.5 9206/3.9=10, ~1553=5...(19) QD1 LEU 122 - QD2 LEU 123 poor 11 71 35 45 2.7-6.8 3899/3944=18...(9) QD2 LEU 122 - QD2 LEU 123 far 10 100 10 - 3.2-7.4 QD2 LEU 119 - QD2 LEU 123 far 0 99 0 - 4.4-7.1 QD1 LEU 96 - QD2 LEU 123 far 0 99 0 - 5.4-7.9 QD1 LEU 103 - QD2 LEU 123 far 0 100 0 - 6.2-9.4 QG1 VAL 63 - QD2 LEU 123 far 0 100 0 - 8.9-11.7 Violated in 1 structures by 0.01 A. Peak 11640 from aliabs.peaks (1.24, 0.93, 23.87 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.89: QG2 THR 54 + QD1 LEU 123 OK 80 100 85 94 3.0-6.0 11510/2.1=79, 9275=32...(11) QG2 THR 65 + QD1 LEU 48 OK 45 45 100 98 1.8-3.2 9441/2.1=60...(19) QG2 THR 65 - QD1 LEU 123 far 0 95 0 - 6.6-8.7 QG2 THR 54 - QD1 LEU 48 far 0 52 0 - 7.3-9.2 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 11 assignments used, quality = 0.96: QG1 VAL 93 + HA SER 94 OK 85 85 100 100 2.8-3.2 9963=91, 7283/2.9=84...(23) QD2 LEU 96 + HA SER 94 OK 74 83 90 98 5.0-5.9 3098/7334=51...(11) QD2 LEU 122 - HA SER 124 far 0 76 0 - 6.0-8.5 QD1 LEU 96 - HA SER 94 far 0 89 0 - 6.0-7.1 HG12 ILE 129 - HA SER 124 far 0 89 0 - 7.0-9.9 QD1 LEU 96 - HA SER 124 far 0 97 0 - 7.1-8.2 QD2 LEU 122 - HA SER 94 far 0 66 0 - 7.5-9.9 QD2 LEU 96 - HA SER 124 far 0 93 0 - 7.9-8.5 HG12 ILE 129 - HA SER 94 far 0 78 0 - 8.4-9.7 QD2 LEU 119 - HA SER 124 far 0 68 0 - 8.6-11.1 QD1 LEU 103 - HA SER 124 far 0 87 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11642 from aliabs.peaks (0.87, 4.24, 61.34 ppm; 4.58 A): 4 out of 9 assignments used, quality = 0.99: QD2 LEU 70 + HA SER 94 OK 84 89 95 100 4.6-5.5 11109/3117=62...(16) QD2 LEU 123 + HA SER 124 OK 83 92 90 100 3.8-5.7 7766/2.9=61...(23) QD2 LEU 98 + HA SER 94 OK 51 82 80 78 4.2-5.7 11470/4.9=50...(5) QD1 LEU 98 + HA SER 94 OK 49 90 65 83 3.8-7.2 11469/4.9=49, ~11438=36...(8) QD2 LEU 69 - HA SER 124 far 0 100 0 - 8.2-10.0 QG1 VAL 118 - HA SER 124 far 0 68 0 - 8.7-10.0 QD2 LEU 69 - HA SER 94 far 0 93 0 - 9.0-10.8 QG1 VAL 118 - HA SER 94 far 0 59 0 - 9.7-11.0 QD2 LEU 98 - HA SER 124 far 0 92 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 11643 from aliabs.peaks (4.04, 4.36, 62.46 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.98: HA ALA 92 + HA CYS 125 OK 81 87 95 98 3.9-5.4 2.1/10376=75, ~11396=37...(15) HA LEU 122 + HA CYS 125 OK 73 100 75 98 4.9-5.7 3994/3.0=38, ~11656=32...(18) HA LEU 96 + HA CYS 125 OK 66 89 75 99 4.7-5.9 3994/3.0=36, 3.0/3987=35...(22) HB3 SER 124 - HA CYS 125 far 0 73 0 - 5.3-5.6 HA LYS 95 - HA CYS 125 far 0 96 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 11644 from aliabs.peaks (4.19, 4.36, 62.46 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.55: HA GLU 128 + HA CYS 125 OK 55 100 55 100 5.3-6.3 3.0/3986=84, 2.9/7839=81...(15) HA ALA 88 - HA CYS 125 far 0 90 0 - 8.9-10.7 Violated in 20 structures by 0.84 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 4.0-4.7 3.2/10386=89...(22) HA ILE 129 - HB3 CYS 125 far 0 73 0 - 6.8-9.1 Violated in 0 structures by 0.00 A. Peak 11646 from aliabs.peaks (3.43, 2.73, 26.80 ppm; 6.46 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.9-4.6 3.2/10381=97...(25) HA ILE 129 + HB2 CYS 125 OK 40 73 55 99 6.4-8.6 4.2/10383=88...(8) Violated in 0 structures by 0.00 A. Peak 11647 from aliabs.peaks (2.35, 4.36, 62.46 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.64: HG2 GLU 128 + HA CYS 125 OK 64 99 65 100 2.0-6.0 1.8/11698=80...(16) HG2 GLN 127 - HA CYS 125 far 0 99 0 - 6.8-8.2 Violated in 11 structures by 0.56 A. Peak 11648 from aliabs.peaks (2.42, 4.36, 62.46 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.95: HG3 GLU 128 + HA CYS 125 OK 95 100 95 100 3.6-5.6 11698=99, 1.8/11647=84...(15) HG3 GLU 97 - HA CYS 125 far 0 90 0 - 8.6-11.4 Violated in 10 structures by 0.26 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 far 10 100 10 - 5.7-9.3 HD3 LYS 95 - HA CYS 125 far 5 99 5 - 5.4-9.3 HB2 LEU 123 - HA CYS 125 far 0 100 0 - 7.1-7.7 QB ALA 88 - HA CYS 125 far 0 97 0 - 7.3-9.5 HB2 LEU 98 - HA CYS 125 far 0 99 0 - 8.4-12.1 HB2 LEU 69 - HA CYS 125 far 0 100 0 - 9.2-11.7 Violated in 19 structures by 0.80 A. Peak 11650 from aliabs.peaks (1.95, 4.36, 62.46 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.98: HB3 LYS 95 + HA CYS 125 OK 87 96 95 96 4.5-5.8 11652/3.0=33...(13) HB2 LYS 95 + HA CYS 125 OK 81 92 90 98 4.1-5.9 9948/10376=61...(14) HG LEU 53 - HA CYS 125 far 0 90 0 - 9.0-12.8 Violated in 4 structures by 0.03 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: HD3 LYS 95 - HB2 CYS 125 far 4 89 5 - 5.2-8.7 HD2 LYS 95 - HB2 CYS 125 far 0 96 0 - 5.5-8.0 HB2 LEU 123 - HB2 CYS 125 far 0 99 0 - 6.2-8.2 HB2 LEU 98 - HB2 CYS 125 far 0 100 0 - 6.5-10.0 HB2 LEU 69 - HB2 CYS 125 far 0 99 0 - 7.2-10.2 QB ALA 88 - HB2 CYS 125 far 0 81 0 - 8.6-10.3 Violated in 20 structures by 0.90 A. Peak 11652 from aliabs.peaks (1.94, 2.73, 26.80 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.99: HB3 LYS 95 + HB2 CYS 125 OK 96 100 100 96 3.7-5.2 11658/1.8=37, ~11448=32...(14) HB2 LYS 95 + HB2 CYS 125 OK 87 100 90 97 3.2-5.5 11658/1.8=37, ~11448=32...(14) HB3 LEU 49 - HB2 CYS 125 far 0 76 0 - 8.0-10.9 HG LEU 53 - HB2 CYS 125 far 0 100 0 - 8.8-13.7 Violated in 2 structures by 0.02 A. Peak 11653 from aliabs.peaks (1.79, 2.73, 26.80 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.40: HB3 LEU 122 + HB2 CYS 125 OK 40 100 40 100 4.4-7.1 1.8/11595=86, ~11656=77...(22) HG LEU 100 - HB2 CYS 125 far 0 89 0 - 6.3-9.1 HB3 LEU 98 - HB2 CYS 125 far 0 99 0 - 6.6-9.2 Violated in 17 structures by 0.90 A. Peak 11654 from aliabs.peaks (2.08, 2.73, 26.80 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.95: HB2 GLU 128 + HB2 CYS 125 OK 85 100 85 100 4.6-6.3 3986/3.0=87...(20) HB VAL 126 + HB2 CYS 125 OK 65 65 100 100 4.6-5.7 2.1/10381=89, ~10386=69...(16) HG3 GLU 91 - HB2 CYS 125 far 0 97 0 - 7.2-9.1 Violated in 1 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 2.0-3.3 3.2/9986=72...(32) HB3 GLU 128 - HB2 CYS 125 far 5 99 5 - 5.4-7.9 HB3 GLN 127 - HB2 CYS 125 far 0 90 0 - 6.2-8.3 HG2 GLU 97 - HB2 CYS 125 far 0 100 0 - 6.3-8.7 HG2 GLU 91 - HB2 CYS 125 far 0 63 0 - 7.6-9.9 HB3 GLU 97 - HB2 CYS 125 far 0 85 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 11656 from aliabs.peaks (1.64, 3.20, 26.80 ppm; 4.35 A): 1 out of 8 assignments used, quality = 0.51: HB2 LEU 122 + HB3 CYS 125 OK 51 57 90 100 3.6-5.4 11595/1.8=56, ~11653=43...(22) HB2 LEU 123 - HB3 CYS 125 far 0 97 0 - 6.1-7.9 HD2 LYS 95 - HB3 CYS 125 far 0 92 0 - 6.4-9.3 HD3 LYS 95 - HB3 CYS 125 far 0 83 0 - 6.5-9.4 HB2 LEU 98 - HB3 CYS 125 far 0 99 0 - 6.6-10.3 HB2 LEU 69 - HB3 CYS 125 far 0 97 0 - 7.4-10.2 QB ALA 88 - HB3 CYS 125 far 0 73 0 - 8.2-11.4 HG LEU 70 - HB3 CYS 125 far 0 65 0 - 9.0-11.1 Violated in 14 structures by 0.39 A. Peak 11657 from aliabs.peaks (1.77, 3.20, 26.80 ppm; 5.02 A): 2 out of 5 assignments used, quality = 0.85: HB3 LEU 122 + HB3 CYS 125 OK 77 81 95 100 4.3-6.1 1.8/11656=93, ~11595=60...(24) HG13 ILE 129 + HB3 CYS 125 OK 35 71 50 100 4.6-7.9 2.1/10388=84, ~10383=65...(13) HG LEU 100 - HB3 CYS 125 far 10 100 10 - 5.7-8.5 HB3 LEU 98 - HB3 CYS 125 far 0 93 0 - 6.9-9.2 HB3 LEU 103 - HB3 CYS 125 far 0 73 0 - 9.6-13.8 Violated in 3 structures by 0.02 A. Peak 11658 from aliabs.peaks (1.94, 3.20, 26.80 ppm; 4.63 A): 2 out of 5 assignments used, quality = 0.95: HB2 LYS 95 + HB3 CYS 125 OK 79 100 80 98 4.3-6.3 3.0/11448=43, 11447=40...(16) HB3 LYS 95 + HB3 CYS 125 OK 79 100 80 98 4.3-5.7 11447=44, 11652/1.8=43...(15) HB3 LEU 49 - HB3 CYS 125 far 0 68 0 - 7.0-11.5 HG LEU 53 - HB3 CYS 125 far 0 100 0 - 7.2-12.3 HB3 ARG 90 - HB3 CYS 125 far 0 97 0 - 9.4-12.8 Violated in 5 structures by 0.08 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 2.0-4.1 11655/1.8=87...(32) HB3 GLU 128 - HB3 CYS 125 far 5 97 5 - 4.7-8.1 HB3 GLN 127 - HB3 CYS 125 far 0 85 0 - 6.1-8.2 HG2 GLU 97 - HB3 CYS 125 far 0 100 0 - 6.3-9.2 HB3 GLU 97 - HB3 CYS 125 far 0 78 0 - 7.8-9.7 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 3.8-4.1 4.2/4006=75, 7839/5.0=65...(21) H GLN 68 - HA VAL 126 far 0 100 0 - 9.0-11.1 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): 2 out of 6 assignments used, quality = 0.99: H ILE 129 + QG1 VAL 126 OK 97 97 100 100 4.0-4.8 3.8/11618=65...(12) H SER 130 + QG1 VAL 126 OK 78 78 100 99 3.5-4.3 10497=59, 4.6/11618=54...(15) H CYS 125 - QG1 VAL 126 far 0 63 0 - 5.5-6.1 H SER 51 - QG1 VAL 126 far 0 65 0 - 6.0-7.2 H ALA 52 - QG1 VAL 126 far 0 95 0 - 6.8-8.1 H SER 94 - QG1 VAL 126 far 0 83 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 11665 from aliabs.peaks (8.48, 0.96, 22.63 ppm; 5.17 A): 2 out of 5 assignments used, quality = 0.75: H ASP 47 + QG1 VAL 126 OK 65 65 100 100 4.1-4.9 3.7/10409=91...(11) H LEU 70 + QG1 VAL 126 OK 27 83 50 65 5.4-6.5 11250/11676=54, 3.6/10395=22 H GLU 97 - QG1 VAL 126 far 0 96 0 - 7.3-8.2 H VAL 132 - QG1 VAL 126 far 0 96 0 - 7.4-7.9 H LEU 100 - QG1 VAL 126 far 0 100 0 - 7.9-9.3 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 3.8-4.9 11785=87, ~11668=54...(11) Violated in 0 structures by 0.00 A. Peak 11667 from aliabs.peaks (8.02, 0.96, 24.06 ppm; 4.87 A): 3 out of 6 assignments used, quality = 0.99: H CYS 125 + QG2 VAL 126 OK 85 85 100 100 4.2-4.8 3.6/4021=82...(21) H ILE 129 + QG2 VAL 126 OK 84 85 100 99 4.8-5.4 4006/3.2=57...(11) H SER 130 + QG2 VAL 126 OK 52 95 55 99 5.5-6.1 10497/2.1=75...(12) H LEU 48 - QG2 VAL 126 far 0 68 0 - 6.5-8.0 H ALA 52 - QG2 VAL 126 far 0 100 0 - 7.4-9.2 H SER 94 - QG2 VAL 126 far 0 60 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 11668 from aliabs.peaks (4.00, 2.11, 31.38 ppm; 4.55 A): 1 out of 6 assignments used, quality = 0.22: HA SER 50 + HB VAL 126 OK 22 98 25 90 4.8-7.0 ~11785=48, ~11601=46...(8) HB2 SER 124 - HB VAL 126 far 0 90 0 - 7.0-7.5 HB3 SER 124 - HB VAL 126 far 0 99 0 - 7.1-7.5 HA LEU 119 - HB VAL 126 far 0 83 0 - 7.6-9.0 HB3 SER 99 - HB VAL 126 far 0 99 0 - 7.8-9.9 HB3 SER 51 - HB VAL 126 far 0 73 0 - 9.6-11.7 Violated in 20 structures by 1.37 A. Peak 11669 from aliabs.peaks (3.83, 3.43, 67.09 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.62: HA LEU 123 + HA VAL 126 OK 62 85 75 97 5.4-6.4 4008/3.0=68...(8) HB2 SER 130 - HA VAL 126 far 14 95 15 - 5.5-7.9 HB2 SER 50 - HA VAL 126 far 0 99 0 - 6.6-9.5 Violated in 20 structures by 0.73 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 8 56 15 - 4.7-5.3 HA SER 124 - HA GLN 127 far 0 95 0 - 5.1-5.9 HA SER 94 - HA GLU 91 far 0 84 0 - 6.2-6.5 HA SER 51 - HA GLN 127 far 0 95 0 - 9.0-11.1 Violated in 20 structures by 0.45 A. Peak 11671 from aliabs.peaks (4.24, 2.34, 33.53 ppm; 3.77 A): 5 out of 19 assignments used, quality = 1.00: HA GLN 27 + HG2 GLN 27 OK 96 96 100 100 2.3-3.9 3.7=100 HA GLN 27 + HG3 GLN 27 OK 95 95 100 100 2.7-4.2 3.7=100 HA ALA 28 + HG3 GLN 27 OK 42 96 45 97 3.9-6.6 ~10762=27, ~10723=26...(21) HA ALA 28 + HG2 GLN 27 OK 33 97 35 97 3.8-6.5 ~10762=27, ~10723=26...(21) HA SER 124 + HG2 GLN 127 OK 24 100 25 97 3.6-6.0 11672/1.8=60...(8) HA ALA 29 - HG2 GLN 27 poor 18 86 30 70 3.1-8.7 10738/10764=30...(15) HA ALA 29 - HG3 GLN 27 poor 16 85 30 63 3.0-9.7 ~10788=19, 737/4.9=12...(16) HA LYS 26 - HG2 GLN 27 poor 8 62 35 37 4.1-7.1 3.6/6273=26, 4.0/10765=8...(4) HA GLU 30 - HG3 GLN 27 far 6 59 10 - 4.4-11.3 HA LYS 31 - HG3 GLN 27 far 6 57 10 - 4.5-13.3 HA LYS 26 - HG3 GLN 27 far 3 62 5 - 4.6-6.8 HA LYS 31 - HG2 GLN 27 far 0 57 0 - 4.8-13.4 HA GLU 30 - HG2 GLN 27 far 0 60 0 - 5.0-11.1 HA LYS 19 - HG2 GLN 27 far 0 55 0 - 6.5-20.9 HA SER 51 - HG2 GLN 127 far 0 71 0 - 7.4-9.1 HA LYS 19 - HG3 GLN 27 far 0 54 0 - 7.8-19.8 HA LEU 22 - HG2 GLN 27 far 0 70 0 - 8.2-16.7 HA LEU 22 - HG3 GLN 27 far 0 69 0 - 8.8-17.9 HA ALA 34 - HG2 GLN 27 far 0 57 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 11672 from aliabs.peaks (4.23, 2.48, 33.53 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.95: HA SER 124 + HG3 GLN 127 OK 95 98 100 97 3.3-5.0 3966/3.0=64, 4049/3.0=60...(8) HA SER 51 - HG3 GLN 127 far 0 89 0 - 7.3-9.2 Violated in 6 structures by 0.13 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 96 98 100 98 3.5-5.5 4.0/10437=67...(9) HB2 SER 50 + HG3 GLN 127 OK 78 87 100 90 2.6-4.3 11698/10437=34...(11) HB2 SER 130 - HG3 GLN 127 far 0 76 0 - 6.2-9.1 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 6 assignments used, quality = 1.00: QD1 LEU 123 + HB3 GLN 127 OK 100 100 100 100 2.1-4.7 10436/1.8=89...(14) QG1 VAL 105 + HB2 GLN 101 OK 27 34 85 95 3.4-6.2 ~10054=52, ~10054=50...(9) QD1 LEU 49 - HB3 GLN 127 poor 19 96 20 - 4.0-9.0 QG2 VAL 63 - HB2 GLN 101 far 0 58 0 - 6.1-8.6 QD1 LEU 62 - HB3 GLN 127 far 0 97 0 - 9.3-13.4 QD1 LEU 48 - HB3 GLN 127 far 0 92 0 - 9.5-12.8 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 2.8-3.6 10394=83, 4020/2.9=65...(20) QD1 LEU 123 + HA GLN 127 OK 71 76 95 98 4.1-5.6 11579/4060=44...(14) QG2 VAL 126 - HA GLN 127 far 0 93 0 - 5.3-5.4 QD2 LEU 53 - HA GLN 127 far 0 87 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 11676 from aliabs.peaks (0.81, 0.96, 22.63 ppm; 2.93 A): 1 out of 10 assignments used, quality = 0.76: QD2 LEU 49 + QG1 VAL 126 OK 76 96 95 84 1.8-4.0 2.1/11682=39...(13) QD2 LEU 122 - QG1 VAL 126 poor 15 76 20 - 3.3-6.7 QD1 LEU 122 - QG1 VAL 126 far 15 100 15 - 3.7-6.3 QD1 LEU 53 - QG1 VAL 126 poor 7 90 30 27 3.3-7.1 6621/11785=12...(7) QG2 ILE 129 - QG1 VAL 126 far 0 92 0 - 3.9-4.6 QG1 VAL 133 - QG1 VAL 126 far 0 57 0 - 5.2-8.4 QD1 LEU 70 - QG1 VAL 126 far 0 100 0 - 6.5-7.9 QD1 LEU 103 - QG1 VAL 126 far 0 63 0 - 7.9-9.8 QD2 LEU 119 - QG1 VAL 126 far 0 83 0 - 8.3-9.6 QG1 VAL 63 - QG1 VAL 126 far 0 65 0 - 8.3-9.6 Violated in 6 structures by 0.15 A. Peak 11677 from aliabs.peaks (1.59, 0.96, 24.06 ppm; 3.53 A): 3 out of 6 assignments used, quality = 0.87: HB2 LEU 122 + QG2 VAL 126 OK 66 85 85 91 2.4-5.2 3.0/10397=46...(16) HG LEU 49 + QG2 VAL 126 OK 43 89 50 96 3.0-5.4 3.0/11679=47...(10) HG LEU 122 + QG2 VAL 126 OK 35 92 45 85 2.8-5.2 4.3/10397=33...(16) HG LEU 70 - QG2 VAL 126 far 0 78 0 - 5.5-7.8 HG LEU 123 - QG2 VAL 126 far 0 76 0 - 6.0-7.5 HB2 LEU 103 - QG2 VAL 126 far 0 96 0 - 7.3-9.4 Violated in 2 structures by 0.01 A. Peak 11678 from aliabs.peaks (1.77, 0.96, 24.06 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.83: HB3 LEU 122 + QG2 VAL 126 OK 63 81 80 97 3.5-5.1 3.0/10397=57...(20) HG13 ILE 129 + QG2 VAL 126 OK 53 71 75 100 2.9-6.0 2.1/11692=72, ~10410=45...(32) HG LEU 100 - QG2 VAL 126 poor 17 100 65 26 3.6-5.0 3870/11677=6...(6) HB2 LEU 48 - QG2 VAL 126 far 0 97 0 - 6.5-9.3 HB3 LEU 103 - QG2 VAL 126 far 0 73 0 - 7.6-10.2 HB3 LEU 98 - QG2 VAL 126 far 0 93 0 - 7.8-9.5 Violated in 4 structures by 0.08 A. Peak 11679 from aliabs.peaks (1.94, 0.96, 24.06 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.53: HB3 LEU 49 + QG2 VAL 126 OK 53 65 85 95 3.3-5.5 3.2/11681=38, ~11682=36...(15) HG LEU 53 - QG2 VAL 126 far 5 99 5 - 4.9-10.1 HB2 LYS 95 - QG2 VAL 126 far 0 100 0 - 6.3-7.4 HB3 LYS 95 - QG2 VAL 126 far 0 100 0 - 6.7-7.6 Violated in 15 structures by 0.44 A. Peak 11680 from aliabs.peaks (1.33, 0.96, 24.06 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 46 + QG2 VAL 126 OK 99 99 100 100 3.8-4.4 9175/2.1=91, 9185/2.1=46...(13) Violated in 18 structures by 0.17 A. Peak 11681 from aliabs.peaks (0.80, 0.96, 24.06 ppm; 2.68 A): 3 out of 9 assignments used, quality = 0.92: QD2 LEU 49 + QG2 VAL 126 OK 79 99 95 84 1.7-4.1 11676/2.1=46...(13) QD1 LEU 122 + QG2 VAL 126 OK 43 100 65 67 1.9-4.5 3.8/10397=20...(12) QD2 LEU 122 + QG2 VAL 126 OK 34 87 55 72 1.8-4.9 1676=24, 3.9/10397=19...(15) QD1 LEU 53 - QG2 VAL 126 poor 6 97 25 23 2.9-7.8 1674/11679=8...(7) QG2 ILE 129 - QG2 VAL 126 far 0 83 0 - 4.2-5.7 QD1 LEU 70 - QG2 VAL 126 far 0 99 0 - 5.1-6.6 QD1 LEU 103 - QG2 VAL 126 far 0 76 0 - 6.4-8.3 QG1 VAL 63 - QG2 VAL 126 far 0 78 0 - 7.1-8.2 QD2 LEU 119 - QG2 VAL 126 far 0 92 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 11682 from aliabs.peaks (1.56, 0.96, 22.63 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.94: HG LEU 49 + QG1 VAL 126 OK 94 96 100 98 2.5-4.6 2.1/11676=81, ~11679=32...(15) HG LEU 123 - QG1 VAL 126 far 0 99 0 - 5.8-7.8 HB3 LEU 42 - QG1 VAL 126 far 0 90 0 - 7.5-8.5 HB2 LEU 119 - QG1 VAL 126 far 0 92 0 - 8.8-10.5 HB2 LEU 103 - QG1 VAL 126 far 0 89 0 - 9.3-11.7 HG LEU 103 - QG1 VAL 126 far 0 100 0 - 10.0-12.8 Violated in 12 structures by 0.23 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...(21) 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 3.5-4.2 10381=100, 1.8/11683=81...(22) HB2 CYS 73 - QG2 VAL 126 far 0 97 0 - 6.0-8.3 HB2 ASP 47 - QG2 VAL 126 far 0 97 0 - 8.4-9.5 HB2 ASP 64 - QG2 VAL 126 far 0 73 0 - 9.3-10.9 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: HB3 TYR 76 - QG1 VAL 126 far 0 83 0 - 8.6-10.4 HD3 ARG 90 - QG1 VAL 126 far 0 97 0 - 9.6-13.8 Violated in 20 structures by 3.10 A. Peak 11686 from aliabs.peaks (2.84, 0.96, 22.63 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.79: HB3 ASP 47 + QG1 VAL 126 OK 79 99 80 99 5.6-6.5 1.8/11687=80...(4) HB3 ASP 131 - QG1 VAL 126 far 0 81 0 - 7.4-8.5 HE3 LYS 95 - QG1 VAL 126 far 0 63 0 - 9.9-12.8 Violated in 20 structures by 0.66 A. Peak 11687 from aliabs.peaks (2.70, 0.96, 22.63 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.28: HB2 ASP 47 + QG1 VAL 126 OK 28 81 35 98 5.9-7.1 1.8/11686=84...(4) Violated in 20 structures by 1.01 A. Peak 11688 from aliabs.peaks (4.34, 0.96, 24.06 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.98: HA CYS 125 + QG2 VAL 126 OK 97 97 100 100 4.8-5.3 3.6/4021=84...(20) HA LEU 69 + QG2 VAL 126 OK 45 100 80 57 5.0-6.3 10395/2.1=25...(5) HA ASP 47 - QG2 VAL 126 far 0 99 0 - 6.5-7.7 Violated in 1 structures by 0.01 A. Peak 11689 from aliabs.peaks (4.07, 0.96, 24.06 ppm; 3.84 A): 1 out of 8 assignments used, quality = 0.65: HA LEU 96 + QG2 VAL 126 OK 65 87 100 75 3.8-4.5 3994/11683=19, ~11690=13...(15) HB THR 65 - QG2 VAL 126 far 0 99 0 - 5.4-6.8 HA ALA 92 - QG2 VAL 126 far 0 89 0 - 6.9-7.7 HA LEU 48 - QG2 VAL 126 far 0 60 0 - 7.8-9.2 HA PHE 89 - QG2 VAL 126 far 0 93 0 - 8.2-9.4 HB2 SER 74 - QG2 VAL 126 far 0 90 0 - 8.4-11.3 HB3 SER 74 - QG2 VAL 126 far 0 96 0 - 9.1-11.7 HA GLU 44 - QG2 VAL 126 far 0 57 0 - 9.2-10.2 Violated in 18 structures by 0.29 A. Peak 11690 from aliabs.peaks (1.36, 2.11, 31.38 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.94: HB2 LEU 96 + HB VAL 126 OK 79 89 90 99 4.1-6.5 ~11689=59, ~10397=54...(16) QB ALA 46 + HB VAL 126 OK 73 73 100 100 4.1-5.1 11616/2.1=80...(13) HB3 LEU 100 - HB VAL 126 far 0 97 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. Peak 11691 from aliabs.peaks (1.98, 0.96, 22.63 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.73: HB ILE 129 + QG1 VAL 126 OK 73 73 100 100 2.9-4.0 3.2/10410=57...(30) HB3 LEU 53 - QG1 VAL 126 far 0 92 0 - 5.6-9.4 Violated in 1 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 3.1-4.0 10489=72, 11639/3.2=58...(33) QD1 LEU 42 - QG2 VAL 126 far 0 95 0 - 5.6-7.3 Violated in 13 structures by 0.04 A. Peak 11693 from aliabs.peaks (1.43, 4.19, 59.09 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 92 + HA GLU 128 OK 100 100 100 100 4.2-5.3 10444/3.0=76...(13) HG3 LYS 24 - HA HIS 67 far 0 37 0 - 8.6-37.3 Violated in 15 structures by 0.19 A. Peak 11694 from aliabs.peaks (1.14, 2.08, 28.58 ppm; 4.54 A): 1 out of 12 assignments used, quality = 0.95: QG2 VAL 132 + HB2 GLU 128 OK 95 100 95 100 3.3-5.5 11627/3.0=79...(13) QG1 VAL 132 - HB3 GLN 82 poor 19 66 35 84 5.0-7.8 10545/11276=39...(8) HB3 LEU 62 - HB2 GLN 61 far 0 66 0 - 5.5-7.4 QG1 VAL 132 - HB2 GLU 128 far 0 99 0 - 5.7-8.1 HG3 LYS 39 - HB3 GLU 44 far 0 43 0 - 6.9-10.4 HG2 LYS 39 - HB3 GLU 44 far 0 74 0 - 7.0-11.8 QG2 VAL 132 - HB3 GLN 82 far 0 67 0 - 7.6-10.4 HG2 LYS 39 - HB3 GLN 82 far 0 68 0 - 7.9-12.7 QG2 THR 115 - HB2 GLU 102 far 0 99 0 - 7.9-13.0 HG3 LYS 39 - HB3 GLN 82 far 0 39 0 - 8.9-14.2 HB3 LEU 62 - HB2 GLU 102 far 0 98 0 - 9.5-12.2 QG2 THR 115 - HB2 GLN 61 far 0 67 0 - 9.8-13.2 Violated in 16 structures by 0.27 A. Peak 11695 from aliabs.peaks (0.99, 2.08, 28.58 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.99: QG2 VAL 118 + HB2 GLU 102 OK 89 94 95 100 1.9-5.1 11545/1.8=75...(17) QG2 VAL 105 + HB2 GLU 102 OK 86 86 100 100 3.8-4.4 11508/3.0=70, 11456=62...(14) QD1 LEU 69 - HB3 GLU 44 far 0 58 0 - 5.5-8.5 QD2 LEU 53 - HB2 GLN 61 far 0 44 0 - 5.7-12.5 QG2 VAL 126 - HB2 GLU 128 far 0 63 0 - 6.1-6.8 QD1 LEU 69 - HB2 GLU 128 far 0 87 0 - 7.1-10.0 QD2 LEU 53 - HB2 GLU 102 far 0 73 0 - 8.6-15.6 QG2 VAL 126 - HB2 GLU 102 far 0 62 0 - 9.3-11.5 QD2 LEU 53 - HB2 GLU 128 far 0 73 0 - 9.7-11.4 QG2 VAL 126 - HB3 GLU 44 far 0 39 0 - 9.8-10.7 Violated in 1 structures by 0.00 A. Peak 11696 from aliabs.peaks (0.77, 2.08, 28.58 ppm; 4.33 A): 2 out of 22 assignments used, quality = 0.86: HG12 ILE 129 + HB2 GLU 128 OK 80 83 100 96 3.7-4.6 ~10013=44, 4.8/7864=44...(14) QD1 LEU 103 + HB2 GLU 102 OK 31 91 40 84 4.4-6.6 3396/7468=48...(8) QD2 LEU 122 - HB2 GLU 102 far 4 82 5 - 5.0-9.0 QD2 LEU 96 - HB2 GLU 128 far 0 89 0 - 5.6-6.9 QD2 LEU 119 - HB2 GLN 61 far 0 45 0 - 5.7-11.5 QD2 LEU 43 - HB3 GLU 44 far 0 51 0 - 5.9-7.4 QD2 LEU 119 - HB2 GLU 102 far 0 75 0 - 6.5-11.0 QD1 LEU 96 - HB2 GLU 128 far 0 99 0 - 6.8-8.3 QD2 LEU 122 - HB2 GLU 128 far 0 83 0 - 7.1-11.0 QG1 VAL 63 - HB2 GLN 61 far 0 57 0 - 7.2-8.2 QD1 LEU 103 - HB2 GLN 61 far 0 58 0 - 7.3-9.5 QG1 VAL 63 - HB2 GLU 102 far 0 90 0 - 7.4-9.1 QG1 VAL 93 - HB2 GLU 128 far 0 90 0 - 7.4-9.4 QD1 LEU 53 - HB2 GLN 61 far 0 38 0 - 7.7-12.0 QD1 LEU 96 - HB2 GLU 102 far 0 99 0 - 7.8-9.5 QD1 LEU 53 - HB2 GLU 128 far 0 65 0 - 8.0-10.2 QD2 LEU 43 - HB2 GLU 128 far 0 78 0 - 8.1-8.9 QD2 LEU 122 - HB2 GLN 61 far 0 51 0 - 8.1-11.9 QD1 ILE 37 - HB3 GLU 44 far 0 74 0 - 8.3-10.6 QD1 ILE 32 - HB3 GLU 44 far 0 74 0 - 8.5-18.3 QD2 LEU 43 - HB3 GLN 82 far 0 46 0 - 8.7-13.8 QD1 LEU 53 - HB2 GLU 102 far 0 65 0 - 9.9-15.4 Violated in 5 structures by 0.02 A. Peak 11697 from aliabs.peaks (1.14, 2.42, 34.22 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.93: QG2 VAL 132 + HG3 GLU 128 OK 93 100 95 98 2.3-5.4 9947/10447=47...(14) QG1 VAL 132 - HG3 GLU 128 far 0 95 0 - 4.7-7.8 Violated in 3 structures by 0.11 A. Peak 11698 from aliabs.peaks (4.36, 2.42, 34.22 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.85: HA CYS 125 + HG3 GLU 128 OK 85 100 85 100 3.6-5.6 11648=80, 11647/1.8=75...(15) Violated in 15 structures by 0.46 A. Peak 11699 from aliabs.peaks (8.22, 2.42, 34.22 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.60: H GLN 127 + HG3 GLU 128 OK 60 60 100 100 4.6-6.4 3.2/4110=94...(11) Violated in 19 structures by 0.47 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 - 9.0-12.2 Violated in 20 structures by 4.50 A. Peak 11701 from aliabs.peaks (8.29, 2.34, 34.22 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.98: H ASP 131 + HG2 GLU 128 OK 90 90 100 100 4.5-6.5 3.3/11702=91...(11) H VAL 126 + HG2 GLU 128 OK 63 98 65 100 4.4-8.2 3.6/11647=95...(7) H LEU 96 + HG2 GLU 128 OK 43 95 50 91 6.2-9.2 3.1/9976=74...(4) H LEU 123 - HG2 GLU 128 far 0 81 0 - 8.0-12.1 Violated in 0 structures by 0.00 A. Peak 11702 from aliabs.peaks (8.48, 2.34, 34.22 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.86: H VAL 132 + HG2 GLU 128 OK 86 97 90 99 3.6-7.2 7908/4104=64...(11) H GLU 97 - HG2 GLU 128 far 0 95 0 - 8.5-11.3 Violated in 11 structures by 0.33 A. Peak 11703 from aliabs.peaks (3.44, 0.82, 16.85 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: HA VAL 126 + QG2 ILE 129 OK 90 100 90 100 3.9-4.8 10402/4163=55...(27) HA ILE 129 + QG2 ILE 129 OK 87 87 100 100 2.0-2.5 3.2=100 HA VAL 77 + QG2 ILE 80 OK 65 77 85 100 4.1-4.7 9725/3.1=60...(40) HA VAL 77 - QG2 ILE 129 far 0 93 0 - 5.6-6.6 HA ILE 129 - QG2 ILE 80 far 0 70 0 - 7.8-9.1 HB3 HIS 67 - QG2 ILE 32 far 0 27 0 - 8.5-17.4 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 2.0-3.8 4.0=100 HA ILE 37 - QG2 ILE 32 far 4 35 10 - 5.2-8.7 HA ALA 92 - QG2 ILE 129 far 0 97 0 - 6.0-7.2 HA ARG 135 - QG2 ILE 80 far 0 53 0 - 6.6-9.4 HB2 SER 74 - QG2 ILE 129 far 0 96 0 - 6.9-8.7 HA LEU 96 - QG2 ILE 129 far 0 97 0 - 7.0-8.6 HB3 SER 74 - QG2 ILE 129 far 0 90 0 - 7.7-8.8 HD3 PRO 81 - QG2 ILE 129 far 0 99 0 - 7.7-10.6 HA ILE 37 - QG2 ILE 129 far 0 76 0 - 7.8-10.6 HA LEU 122 - QG2 ILE 129 far 0 100 0 - 8.1-9.3 HB3 SER 74 - QG2 ILE 32 far 0 45 0 - 8.1-13.8 HA GLU 44 - QG2 ILE 129 far 0 100 0 - 8.7-9.7 HA ARG 135 - QG2 ILE 129 far 0 68 0 - 8.7-10.4 HA LYS 95 - QG2 ILE 129 far 0 85 0 - 8.9-10.3 HB2 SER 74 - QG2 ILE 32 far 0 49 0 - 9.2-15.3 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 7 assignments used, quality = 1.00: H VAL 133 + QG2 ILE 129 OK 99 100 100 99 3.1-5.0 11894/10486=55...(17) H ILE 32 + QG2 ILE 32 OK 55 55 100 100 3.6-3.9 4.0=100 H VAL 133 - QG2 ILE 80 far 4 87 5 - 5.3-7.4 H ASP 71 - QG2 ILE 32 far 0 55 0 - 5.9-14.4 H GLU 91 - QG2 ILE 129 far 0 92 0 - 6.3-7.1 H ASP 71 - QG2 ILE 129 far 0 100 0 - 6.7-8.8 H GLU 91 - QG2 ILE 80 far 0 76 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 11706 from aliabs.peaks (7.33, 0.65, 14.48 ppm; 5.86 A): 1 out of 3 assignments used, quality = 0.68: HZ PHE 89 + QD1 ILE 129 OK 68 68 100 100 5.0-6.0 2.2/10456=97...(13) HE ARG 90 - QD1 ILE 129 far 5 99 5 - 6.2-9.1 QD PHE 87 - QD1 ILE 129 far 0 93 0 - 8.9-10.4 Violated in 2 structures by 0.01 A. Peak 11707 from aliabs.peaks (7.07, 0.65, 14.48 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QD1 ILE 129 OK 100 100 100 100 3.6-5.3 2.2/10456=88...(21) Violated in 1 structures by 0.01 A. Peak 11708 from aliabs.peaks (7.09, 0.82, 16.85 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.97: QD PHE 89 + QG2 ILE 129 OK 89 89 100 100 2.5-3.3 2.2/10457=89...(33) QD PHE 89 + QG2 ILE 80 OK 72 72 100 100 4.3-5.4 9747/3.1=51...(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 5 assignments used, quality = 0.00: HA LEU 70 - QD1 ILE 129 poor 20 100 20 - 5.1-6.8 HA ALA 46 - QD1 ILE 129 far 5 99 5 - 5.4-7.3 HB2 SER 94 - QD1 ILE 129 far 0 95 0 - 6.4-7.1 HA LYS 86 - QD1 ILE 129 far 0 100 0 - 7.4-8.7 HB3 SER 50 - QD1 ILE 129 far 0 99 0 - 8.7-11.6 Violated in 20 structures by 0.60 A. Peak 11710 from aliabs.peaks (4.23, 0.65, 14.48 ppm; 5.20 A): 1 out of 5 assignments used, quality = 0.24: HA SER 94 + QD1 ILE 129 OK 24 99 25 99 6.0-6.6 4.9/10461=65...(13) HA ALA 88 - QD1 ILE 129 far 7 71 10 - 5.9-7.4 HA SER 124 - QD1 ILE 129 far 0 95 0 - 6.7-7.6 HA HIS 67 - QD1 ILE 129 far 0 76 0 - 7.7-10.3 HA SER 99 - QD1 ILE 129 far 0 99 0 - 9.8-10.7 Violated in 20 structures by 1.02 A. Peak 11711 from aliabs.peaks (1.33, 0.65, 14.48 ppm; 3.81 A): 0 out of 1 assignment used, quality = 0.00: QB ALA 46 - QD1 ILE 129 far 15 99 15 - 4.1-5.4 Violated in 20 structures by 1.16 A. Peak 11712 from aliabs.peaks (1.66, 0.65, 14.48 ppm; 4.07 A): 0 out of 7 assignments used, quality = 0.00: HB2 LEU 69 - QD1 ILE 129 poor 20 99 20 - 4.3-7.2 QB ALA 88 - QD1 ILE 129 far 5 99 5 - 4.8-6.5 HD3 LYS 95 - QD1 ILE 129 far 0 100 0 - 5.4-8.1 HD2 LYS 95 - QD1 ILE 129 far 0 100 0 - 5.4-7.7 HB2 LEU 98 - QD1 ILE 129 far 0 97 0 - 7.8-10.4 HG LEU 43 - QD1 ILE 129 far 0 95 0 - 8.1-9.6 HB2 LEU 123 - QD1 ILE 129 far 0 99 0 - 8.1-9.4 Violated in 20 structures by 0.58 A. Peak 11713 from aliabs.peaks (1.54, 0.65, 14.48 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.30: HG LEU 69 + QD1 ILE 129 OK 30 81 40 94 4.0-6.4 2.1/11038=73, ~11070=27...(12) HB3 LEU 42 - QD1 ILE 129 far 0 99 0 - 7.9-9.0 Violated in 19 structures by 1.20 A. Peak 11714 from aliabs.peaks (2.11, 0.65, 14.48 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.69: HB2 GLU 128 + QD1 ILE 129 OK 58 60 100 97 2.7-4.5 4.5/7873=46...(14) HB VAL 126 + QD1 ILE 129 OK 25 100 25 100 4.6-5.6 2.1/10489=88...(29) HG3 GLU 91 - QD1 ILE 129 far 0 87 0 - 5.2-6.3 HB2 GLU 97 - QD1 ILE 129 far 0 73 0 - 5.7-8.0 Violated in 3 structures by 0.01 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 2.0-3.2 10402=73, 3.2/10489=60...(23) HA LYS 39 - QD1 ILE 129 far 0 87 0 - 9.6-10.6 HB3 HIS 67 - QD1 ILE 129 far 0 98 0 - 9.8-12.3 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 2 assignments used, quality = 1.00: HB3 CYS 125 + QD1 ILE 129 OK 100 100 100 100 3.0-5.0 10388=100, 1.8/10383=84...(17) HB2 PHE 87 - QD1 ILE 129 far 0 60 0 - 9.2-10.8 Violated in 8 structures by 0.03 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 2.2-4.2 9967/2.1=100...(30) QD1 ILE 80 - HG12 ILE 129 far 0 76 0 - 6.1-8.7 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 = 0.99: QB ALA 46 + HB2 SER 130 OK 99 100 100 99 1.9-4.1 10508/1.8=74...(12) QB ALA 46 - HB2 SER 50 far 10 97 10 - 4.5-6.7 Violated in 0 structures by 0.00 A. Peak 11719 from aliabs.peaks (0.94, 3.82, 62.38 ppm; 4.27 A): 4 out of 14 assignments used, quality = 0.98: QD1 LEU 123 + HB2 SER 50 OK 92 93 100 100 2.1-4.4 11772/3.0=75, ~11636=43...(26) QG1 VAL 126 + HB2 SER 130 OK 58 83 80 87 3.7-5.8 10409/11718=47...(9) QG1 VAL 126 + HB2 SER 50 OK 41 78 65 82 3.1-6.0 11785/3.9=43, ~11668=36...(10) QD1 LEU 49 + HB2 SER 50 OK 21 69 35 88 3.0-7.1 ~11338=33, 11339/1.8=23...(21) QG2 VAL 126 - HB2 SER 50 far 0 64 0 - 5.4-8.1 QD2 LEU 53 - HB2 SER 50 far 0 53 0 - 5.6-7.8 QD1 LEU 49 - HB2 SER 130 far 0 73 0 - 5.7-9.0 QG2 VAL 126 - HB2 SER 130 far 0 68 0 - 6.2-8.2 QD1 LEU 48 - HB2 SER 50 far 0 61 0 - 6.5-9.1 QD1 LEU 123 - HB2 SER 130 far 0 97 0 - 6.8-9.6 QD1 LEU 48 - HB2 SER 130 far 0 65 0 - 7.2-10.9 QD1 LEU 62 - HB2 SER 50 far 0 71 0 - 8.3-10.9 QG2 ILE 37 - HB2 SER 130 far 0 100 0 - 8.7-11.3 QG1 VAL 57 - HB2 SER 50 far 0 96 0 - 10.0-11.2 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 1.9-3.6 10509/1.8=71...(23) HG12 ILE 129 - HB2 SER 130 far 0 97 0 - 5.9-7.5 QD2 LEU 96 - HB2 SER 130 far 0 99 0 - 7.0-8.6 QD1 LEU 96 - HB2 SER 130 far 0 89 0 - 7.3-10.2 QD1 LEU 96 - HB2 SER 50 far 0 84 0 - 7.5-10.4 QD2 LEU 96 - HB2 SER 50 far 0 96 0 - 7.7-10.6 QD2 LEU 43 - HB2 SER 50 far 0 91 0 - 7.7-9.6 HG12 ILE 129 - HB2 SER 50 far 0 93 0 - 7.8-13.4 QG1 VAL 93 - HB2 SER 130 far 0 99 0 - 9.3-10.9 QD2 LEU 103 - HB2 SER 50 far 0 71 0 - 9.9-14.1 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 4.6-5.0 10518/3.0=76...(22) QG1 VAL 132 - HA ASP 131 far 0 85 0 - 6.0-6.1 HG2 LYS 39 - HA ASP 131 far 0 96 0 - 7.4-9.8 HG3 LYS 39 - HA ASP 131 far 0 93 0 - 7.6-9.0 Violated in 13 structures by 0.07 A. Peak 11722 from aliabs.peaks (6.49, 2.77, 40.78 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 76 + HB2 TYR 76 OK 94 94 100 100 4.4-4.5 4.5=100 QD TYR 76 + HB2 TYR 76 OK 91 91 100 100 2.3-2.6 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 97 0 - 9.8-10.8 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 5.3-6.2 3.3/7914=91...(14) H VAL 133 - HB2 TYR 76 far 0 98 0 - 7.1-10.3 H ASP 71 - HB2 TYR 76 far 0 92 0 - 8.0-9.1 Violated in 13 structures by 0.25 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 4.7-4.9 4.9=100 HA ILE 129 - HA ASP 131 far 0 65 0 - 6.3-6.9 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 3 assignments used, quality = 0.99: HA VAL 132 + HB2 ASP 131 OK 98 98 100 100 4.3-5.6 3.0/7914=97, 10528=92...(16) HA LEU 42 + HB2 TYR 76 OK 39 80 55 89 5.0-7.0 4.1/9617=70...(5) HA VAL 132 - HB2 TYR 76 far 0 96 0 - 10.0-13.1 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 10 assignments used, quality = 0.99: HA SER 130 + HB2 ASP 131 OK 89 89 100 100 5.6-6.6 3.6/7903=100, ~11646=74...(13) HB3 SER 130 + HB2 ASP 131 OK 82 87 95 100 4.1-7.4 4.6/7903=93...(13) HB2 SER 130 + HB2 ASP 131 OK 40 57 70 99 4.5-7.5 4.6/7903=93, ~10520=37...(7) HA VAL 133 - HB2 TYR 76 far 11 76 15 - 6.2-9.7 HA ARG 90 - HB2 TYR 76 far 0 96 0 - 7.4-10.7 HA VAL 133 - HB2 ASP 131 far 0 78 0 - 7.6-8.6 HA LEU 43 - HB2 ASP 131 far 0 95 0 - 7.6-10.0 HA SER 130 - HB2 TYR 76 far 0 86 0 - 7.7-9.7 HA LEU 43 - HB2 TYR 76 far 0 92 0 - 8.3-9.9 HB2 SER 130 - HB2 TYR 76 far 0 55 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 11728 from aliabs.peaks (3.79, 4.31, 56.71 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.96: HA SER 130 + HA ASP 131 OK 88 89 100 99 4.7-4.9 4.9=75, ~7891=38...(22) HB3 SER 130 + HA ASP 131 OK 68 87 85 92 4.0-5.6 ~4180=34, 7899/2.9=34...(13) HB2 SER 130 - HA ASP 131 poor 14 57 25 - 4.0-5.7 HA VAL 133 - HA ASP 131 far 0 78 0 - 6.3-7.1 HA LEU 43 - HA ASP 131 far 0 95 0 - 6.8-8.4 Violated in 2 structures by 0.00 A. Peak 11729 from aliabs.peaks (2.34, 2.77, 40.78 ppm; 5.17 A): 3 out of 5 assignments used, quality = 0.88: HB VAL 77 + HB2 TYR 76 OK 59 99 60 100 4.3-6.5 7042/4.5=76, ~11169=60...(19) HG2 GLU 128 + HB2 ASP 131 OK 50 100 50 100 4.4-7.9 1.8/10450=84...(16) HB3 GLN 134 + HB2 ASP 131 OK 42 93 45 99 4.4-8.2 4194/3.0=76, ~4193=52...(10) HG2 GLN 127 - HB2 ASP 131 far 0 100 0 - 6.1-9.2 HG3 GLN 68 - HB2 TYR 76 far 0 71 0 - 8.8-12.1 Violated in 1 structures by 0.00 A. Peak 11730 from aliabs.peaks (2.21, 2.77, 40.78 ppm; 4.78 A): 1 out of 7 assignments used, quality = 0.80: HB3 GLU 128 + HB2 ASP 131 OK 80 89 90 100 4.4-7.1 3.0/4195=81...(19) HB VAL 133 - HB2 TYR 76 far 10 68 15 - 4.8-9.7 HB3 GLN 127 - HB2 ASP 131 far 0 99 0 - 6.0-8.7 HB VAL 133 - HB2 ASP 131 far 0 71 0 - 7.1-9.3 HG2 GLU 91 - HB2 ASP 131 far 0 100 0 - 9.2-10.8 HB2 GLN 68 - HB2 TYR 76 far 0 99 0 - 9.7-13.5 HG2 GLN 68 - HB2 TYR 76 far 0 99 0 - 9.9-12.9 Violated in 14 structures by 0.45 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 - 8.6-10.4 Violated in 20 structures by 2.71 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 GLN 127 - HA ASP 131 far 0 100 0 - 6.6-9.2 HB3 GLU 128 - HA ASP 131 far 0 100 0 - 6.7-8.1 Violated in 20 structures by 1.70 A. Peak 11734 from aliabs.peaks (7.40, 1.13, 22.78 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.99: QE PHE 89 + QG1 VAL 132 OK 95 100 95 100 3.9-5.7 2.2/10546=63, ~11650=53...(25) QE PHE 89 + QG2 VAL 132 OK 72 72 100 100 4.4-5.4 ~11650=53, ~11943=53...(21) Violated in 2 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 3.7-4.6 3.6/10442=58...(18) H SER 130 + QG2 VAL 132 OK 85 87 100 98 4.4-5.1 4167/10490=53...(14) H ILE 129 - QG1 VAL 132 far 0 62 0 - 6.1-7.0 H SER 130 - QG1 VAL 132 far 0 56 0 - 6.5-7.0 H SER 94 - QG2 VAL 132 far 0 73 0 - 7.2-8.0 H SER 94 - QG1 VAL 132 far 0 46 0 - 8.0-9.0 H CYS 125 - QG2 VAL 132 far 0 73 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 11736 from aliabs.peaks (0.83, 1.14, 23.00 ppm; 3.20 A): 4 out of 12 assignments used, quality = 0.98: QG2 ILE 129 + QG2 VAL 132 OK 92 100 95 97 3.3-4.1 4163/10490=39...(26) QG1 VAL 133 + QG2 VAL 132 OK 41 95 45 96 3.8-5.8 11670/2.1=33, ~11764=27...(27) HG13 ILE 80 + QG1 VAL 132 OK 36 62 65 88 3.3-5.9 2.1/11738=57, ~9722=24...(27) QG1 VAL 133 + QG1 VAL 132 OK 25 64 40 96 3.0-5.6 11670/2.1=33, ~11764=27...(26) QG2 ILE 80 - QG1 VAL 132 poor 13 66 20 - 3.4-4.9 QG2 ILE 129 - QG1 VAL 132 far 0 72 0 - 4.4-5.0 QG2 ILE 80 - QG2 VAL 132 far 0 97 0 - 5.6-6.9 HG13 ILE 80 - QG2 VAL 132 far 0 93 0 - 5.9-7.8 QD1 LEU 70 - QG2 VAL 132 far 0 93 0 - 8.6-11.1 QD2 LEU 49 - QG2 VAL 132 far 0 60 0 - 8.7-11.1 QD1 LEU 70 - QG1 VAL 132 far 0 62 0 - 9.4-12.1 QD1 LEU 122 - QG2 VAL 132 far 0 83 0 - 9.6-11.7 Violated in 6 structures by 0.01 A. Peak 11737 from aliabs.peaks (0.64, 1.14, 23.00 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 129 + QG2 VAL 132 OK 100 100 100 100 3.4-4.7 10490=99, 10491/9947=66...(25) QD1 ILE 129 - QG1 VAL 132 far 4 71 5 - 4.8-6.3 QD1 LEU 42 - QG2 VAL 132 far 0 96 0 - 6.4-7.5 QD1 LEU 42 - QG1 VAL 132 far 0 65 0 - 6.5-8.0 Violated in 5 structures by 0.09 A. Peak 11738 from aliabs.peaks (0.27, 1.14, 23.00 ppm; 3.48 A): 1 out of 4 assignments used, quality = 0.71: QD1 ILE 80 + QG1 VAL 132 OK 71 72 100 98 2.6-4.2 9722/2.1=44...(34) QD1 ILE 80 - QG2 VAL 132 far 0 100 0 - 4.4-5.2 QG2 VAL 93 - QG2 VAL 132 far 0 78 0 - 4.5-5.4 QG2 VAL 93 - QG1 VAL 132 far 0 49 0 - 5.1-6.2 Violated in 6 structures by 0.10 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 3.3-4.5 11656/2.1=100...(21) QG2 VAL 93 + HB VAL 132 OK 83 89 100 94 5.1-6.1 9924/11650=71...(7) 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 3.3-4.5 11656/2.1=100...(21) QG2 VAL 93 + HB VAL 132 OK 78 81 100 96 5.1-6.1 9924/11650=73...(8) Violated in 0 structures by 0.00 A. Peak 11741 from aliabs.peaks (2.40, 1.13, 22.78 ppm; 4.44 A): 1 out of 5 assignments used, quality = 0.50: HG3 GLU 128 + QG2 VAL 132 OK 50 53 95 100 2.3-5.4 11627=75, 9949/9947=58...(12) HG3 GLU 128 - QG1 VAL 132 poor 20 83 25 94 4.7-7.8 11697/2.1=67, ~11019=37...(8) HG2 GLN 82 - QG1 VAL 132 far 0 60 0 - 5.8-8.7 HG2 GLN 82 - QG2 VAL 132 far 0 36 0 - 8.3-11.2 HG3 GLU 97 - QG2 VAL 132 far 0 72 0 - 9.6-12.4 Violated in 1 structures by 0.05 A. Peak 11742 from aliabs.peaks (1.43, 1.13, 22.78 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.87: QB ALA 92 + QG2 VAL 132 OK 72 72 100 100 3.0-3.7 9947=96, 10447/11627=57...(24) QB ALA 92 + QG1 VAL 132 OK 54 100 55 99 4.5-5.3 9947/2.1=81...(18) HG2 LYS 86 - QG1 VAL 132 far 0 90 0 - 5.5-6.2 HG2 LYS 86 - QG2 VAL 132 far 0 59 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 11743 from aliabs.peaks (2.82, 1.13, 22.78 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 85 + QG1 VAL 132 OK 100 100 100 100 1.8-3.4 1.8/10535=77...(22) HB3 ASN 85 + QG2 VAL 132 OK 36 72 50 99 4.4-5.9 ~10535=49, ~10535=43...(22) 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 8 assignments used, quality = 0.95: HD3 ARG 135 + QG1 VAL 132 OK 92 97 95 100 3.1-5.2 10640=62, 10635/3.2=55...(33) HD3 ARG 135 + QG2 VAL 132 OK 43 66 65 100 3.3-6.2 10635/3.2=56...(32) HB2 PHE 87 - QG1 VAL 132 far 4 87 5 - 5.0-6.2 HB3 PHE 87 - QG1 VAL 132 far 0 97 0 - 5.4-6.5 HA VAL 93 - QG2 VAL 132 far 0 67 0 - 6.4-7.2 HB3 PHE 87 - QG2 VAL 132 far 0 66 0 - 6.5-7.2 HB2 PHE 87 - QG2 VAL 132 far 0 56 0 - 6.6-7.8 HA VAL 93 - QG1 VAL 132 far 0 97 0 - 7.7-8.7 Violated in 3 structures by 0.04 A. Peak 11745 from aliabs.peaks (1.77, 1.13, 22.78 ppm; 4.09 A): 0 out of 5 assignments used, quality = 0.00: HG13 ILE 129 - QG2 VAL 132 poor 9 36 25 - 4.3-6.3 HG13 ILE 129 - QG1 VAL 132 far 0 60 0 - 5.6-8.0 HB2 LYS 86 - QG1 VAL 132 far 0 81 0 - 5.6-6.3 HB2 LYS 86 - QG2 VAL 132 far 0 51 0 - 7.7-8.1 HB2 LYS 39 - QG1 VAL 132 far 0 97 0 - 9.1-11.0 Violated in 20 structures by 0.82 A. Peak 11746 from aliabs.peaks (2.79, 2.27, 31.65 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.42: HB3 ASN 85 + HB VAL 132 OK 42 42 100 100 3.7-5.3 ~10535=62, ~10535=55...(17) HB2 ASP 131 - HB VAL 132 far 0 59 0 - 6.0-6.5 HB2 TYR 76 - HB VAL 132 far 0 51 0 - 7.3-10.5 HB2 ASN 120 - HB3 PRO 113 far 0 93 0 - 8.7-13.6 HB3 ASN 120 - HB3 PRO 113 far 0 96 0 - 8.8-14.2 Violated in 10 structures by 0.21 A. Peak 11747 from aliabs.peaks (0.83, 2.28, 31.42 ppm; 4.53 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 133 + HB VAL 132 OK 100 100 100 100 2.7-5.2 11670=96, 2.1/11764=80...(22) QG2 ILE 129 + HB VAL 132 OK 97 97 100 100 3.3-4.3 3.2/4126=61, ~10490=45...(19) HG13 ILE 80 + HB VAL 132 OK 45 78 60 96 4.8-7.1 ~11738=62, ~11656=62...(13) QG2 ILE 80 - HB VAL 132 far 8 85 10 - 5.2-6.8 QG2 VAL 57 - HB3 PRO 113 far 0 57 0 - 5.6-10.4 QD1 LEU 98 - HB VAL 105 far 0 35 0 - 7.6-12.4 QD1 LEU 70 - HB VAL 105 far 0 39 0 - 8.5-14.1 QD2 LEU 22 - HB VAL 105 far 0 57 0 - 9.4-37.8 QD1 LEU 122 - HB VAL 105 far 0 30 0 - 9.7-12.9 QD2 LEU 70 - HB VAL 132 far 0 76 0 - 9.7-11.9 QD2 LEU 70 - HB VAL 105 far 0 38 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 11748 from aliabs.peaks (3.90, 1.13, 22.78 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.86: HA LYS 86 + QG1 VAL 132 OK 86 95 100 91 3.8-4.4 9727/11656=55...(13) HA LYS 86 - QG2 VAL 132 far 0 64 0 - 5.8-6.4 HB2 SER 94 - QG2 VAL 132 far 0 72 0 - 8.8-10.1 HA ALA 46 - QG2 VAL 132 far 0 69 0 - 9.0-10.0 HA LEU 70 - QG2 VAL 132 far 0 55 0 - 9.1-10.9 HB2 SER 94 - QG1 VAL 132 far 0 100 0 - 9.4-10.7 Violated in 8 structures by 0.04 A. Peak 11749 from aliabs.peaks (4.01, 1.13, 22.78 ppm; 4.54 A): 0 out of 6 assignments used, quality = 0.00: HA ARG 135 - QG1 VAL 132 poor 20 100 20 - 4.8-6.1 HD3 PRO 81 - QG1 VAL 132 far 12 78 15 - 4.8-8.4 HA ARG 135 - QG2 VAL 132 far 4 72 5 - 5.4-7.0 HD3 PRO 81 - QG2 VAL 132 far 0 49 0 - 7.3-10.8 HB2 SER 124 - QG2 VAL 132 far 0 44 0 - 9.0-10.0 HA LYS 95 - QG2 VAL 132 far 0 67 0 - 9.9-10.8 Violated in 18 structures by 0.40 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 4.7-4.9 10538/3.2=76...(33) HA SER 130 - HA VAL 132 far 0 99 0 - 6.4-7.0 HB3 SER 130 - HA VAL 132 far 0 99 0 - 7.6-8.6 HA ARG 90 - HA VAL 132 far 0 85 0 - 9.8-11.0 HA LEU 43 - HA VAL 132 far 0 100 0 - 9.8-10.7 Violated in 8 structures by 0.01 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 3.7-5.4 3.0/10624=93, 10637=89...(13) HD3 PRO 81 - HA VAL 132 far 0 93 0 - 7.1-11.4 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 4.7-4.9 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 2 assignments used, quality = 0.93: H VAL 132 + HB VAL 133 OK 93 93 100 100 5.0-6.5 3.3/7933=100...(19) H ASP 47 - HB VAL 133 far 0 60 0 - 9.0-11.9 Violated in 1 structures by 0.00 A. Peak 11754 from aliabs.peaks (8.29, 0.84, 22.12 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.99: H LEU 43 + QG1 VAL 133 OK 99 99 100 100 4.1-5.4 6510/11777=74...(21) H ASP 131 + QG1 VAL 133 OK 38 76 50 100 3.8-6.6 7925/4245=43...(21) H GLU 40 - QG1 VAL 133 far 15 99 15 - 5.1-7.7 H TYR 72 - QG1 VAL 133 far 0 68 0 - 8.2-9.8 H VAL 126 - QG1 VAL 133 far 0 90 0 - 8.5-12.1 H LEU 69 - QG1 VAL 133 far 0 100 0 - 8.9-11.7 H LEU 96 - QG1 VAL 133 far 0 83 0 - 9.8-12.8 H LEU 49 - QG1 VAL 133 far 0 100 0 - 9.9-12.5 Violated in 2 structures by 0.01 A. Peak 11755 from aliabs.peaks (8.50, 0.84, 22.12 ppm; 6.04 A): 1 out of 1 assignment used, quality = 0.65: H VAL 132 + QG1 VAL 133 OK 65 65 100 100 3.2-6.1 3.3/4245=97...(23) Violated in 2 structures by 0.00 A. Peak 11756 from aliabs.peaks (7.41, 0.84, 22.12 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + QG1 VAL 133 OK 100 100 100 100 1.8-4.0 10552/2.1=91...(23) Violated in 0 structures by 0.00 A. Peak 11757 from aliabs.peaks (3.87, 1.04, 23.71 ppm; 4.41 A): 1 out of 6 assignments used, quality = 0.38: HD2 PRO 81 + QG2 VAL 133 OK 38 81 50 95 4.1-8.0 ~10574=50, ~10574=46...(18) HA LYS 86 - QG2 VAL 133 far 0 93 0 - 5.8-8.9 HA ALA 46 - QG2 VAL 133 far 0 85 0 - 7.0-8.8 HA LEU 70 - QG2 VAL 133 far 0 99 0 - 8.3-11.2 HA3 GLY 75 - QG2 VAL 133 far 0 83 0 - 9.5-11.3 HB3 SER 50 - QG2 VAL 133 far 0 99 0 - 9.7-12.5 Violated in 19 structures by 1.05 A. Peak 11758 from aliabs.peaks (4.09, 1.04, 23.71 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.68: HA PHE 89 + QG2 VAL 133 OK 49 97 50 100 4.5-7.4 3.1/10554=80...(18) HA ILE 80 + QG2 VAL 133 OK 37 60 65 96 4.5-7.7 4.2/10588=69...(11) HA CYS 79 - QG2 VAL 133 far 0 97 0 - 8.4-10.3 HA CYS 45 - QG2 VAL 133 far 0 85 0 - 8.9-10.0 Violated in 10 structures by 0.38 A. Peak 11759 from aliabs.peaks (4.36, 1.04, 23.71 ppm; 4.59 A): 2 out of 6 assignments used, quality = 0.96: HA GLN 134 + QG2 VAL 133 OK 95 100 95 100 2.8-5.5 3.0/4256=78...(21) HA CYS 73 + QG2 VAL 133 OK 23 83 30 93 5.2-7.4 9570/11676=51...(12) HA LEU 69 - QG2 VAL 133 far 0 98 0 - 7.3-9.2 HA ASP 47 - QG2 VAL 133 far 0 83 0 - 8.3-9.4 HA CYS 125 - QG2 VAL 133 far 0 100 0 - 9.1-11.6 HA ASP 78 - QG2 VAL 133 far 0 65 0 - 9.2-11.4 Violated in 10 structures by 0.09 A. Peak 11760 from aliabs.peaks (4.29, 1.04, 23.71 ppm; 6.21 A): 2 out of 4 assignments used, quality = 0.94: HA ASP 131 + QG2 VAL 133 OK 92 92 100 100 4.0-6.0 3.6/10564=89...(15) HA TYR 76 + QG2 VAL 133 OK 23 93 25 100 6.6-8.0 4.7/10555=88...(8) HA SER 74 - QG2 VAL 133 far 0 100 0 - 8.4-11.3 HA PHE 87 - QG2 VAL 133 far 0 76 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 11761 from aliabs.peaks (4.35, 0.84, 22.12 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.99: HA GLN 134 + QG1 VAL 133 OK 99 99 100 100 3.9-5.4 3.0/4250=82...(20) HA PRO 81 - QG1 VAL 133 poor 17 83 20 - 5.1-11.2 HA LEU 69 - QG1 VAL 133 far 0 100 0 - 6.8-9.4 HA ASP 47 - QG1 VAL 133 far 0 97 0 - 8.1-10.6 HA CYS 125 - QG1 VAL 133 far 0 98 0 - 8.7-12.4 HA2 GLY 75 - QG1 VAL 133 far 0 78 0 - 9.1-10.1 Violated in 8 structures by 0.10 A. Peak 11762 from aliabs.peaks (3.48, 0.84, 22.12 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.80: HA VAL 132 + QG1 VAL 133 OK 71 95 75 100 4.5-6.1 3.6/4245=82...(27) HA LEU 42 + QG1 VAL 133 OK 31 90 35 99 5.6-6.7 3.9/10585=80...(10) Violated in 10 structures by 0.15 A. Peak 11763 from aliabs.peaks (3.37, 1.04, 23.71 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.67: HA LYS 39 + QG2 VAL 133 OK 57 57 100 100 2.3-4.8 3.0/11767=78...(18) HB3 PHE 89 + QG2 VAL 133 OK 24 60 40 100 3.7-8.0 2.7/10554=85...(15) HB3 TYR 72 - QG2 VAL 133 far 0 65 0 - 6.8-8.6 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 = 0.72: HB VAL 132 + QG2 VAL 133 OK 72 97 75 100 2.7-5.3 11670/2.1=63...(24) HG2 GLU 40 - QG2 VAL 133 far 0 100 0 - 5.8-9.8 HG2 GLU 44 - QG2 VAL 133 far 0 73 0 - 7.4-9.4 HG3 GLN 68 - QG2 VAL 133 far 0 65 0 - 9.2-12.0 Violated in 10 structures by 0.48 A. Peak 11765 from aliabs.peaks (2.31, 0.84, 22.12 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.90: HB3 GLN 134 + QG1 VAL 133 OK 90 90 100 100 3.9-5.5 2.9/10576=63...(23) HG2 GLU 40 - QG1 VAL 133 far 0 76 0 - 5.9-9.8 HB VAL 77 - QG1 VAL 133 far 0 65 0 - 6.1-7.9 HG2 GLU 128 - QG1 VAL 133 far 0 63 0 - 6.3-11.1 HG2 GLU 44 - QG1 VAL 133 far 0 100 0 - 8.3-10.2 HG3 GLN 68 - QG1 VAL 133 far 0 99 0 - 8.7-13.0 Violated in 16 structures by 0.34 A. Peak 11766 from aliabs.peaks (1.35, 1.04, 23.71 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.95: QB ALA 46 + QG2 VAL 133 OK 83 98 85 100 4.3-5.7 9176/11776=81...(11) HB2 LEU 42 + QG2 VAL 133 OK 71 71 100 100 2.7-4.2 3.1/10587=83...(27) Violated in 0 structures by 0.00 A. Peak 11767 from aliabs.peaks (1.75, 1.04, 23.71 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.46: HB2 LYS 39 + QG2 VAL 133 OK 46 93 50 100 3.8-6.7 2.9/10567=56...(20) HG13 ILE 129 - QG2 VAL 133 far 0 100 0 - 5.3-7.9 HB ILE 80 - QG2 VAL 133 far 0 95 0 - 5.7-8.5 HG3 ARG 90 - QG2 VAL 133 far 0 97 0 - 6.9-10.9 Violated in 17 structures by 1.13 A. Peak 11768 from aliabs.peaks (1.73, 0.84, 22.12 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.58: HD3 LYS 39 + QG1 VAL 133 OK 41 83 50 99 2.3-6.6 2.9/10577=37...(23) HB2 LYS 39 + QG1 VAL 133 OK 29 60 50 98 3.7-6.7 11767/2.1=54...(17) HG13 ILE 129 - QG1 VAL 133 far 10 97 10 - 4.4-8.7 HB ILE 80 - QG1 VAL 133 far 0 100 0 - 5.0-7.8 HG3 ARG 90 - QG1 VAL 133 far 0 100 0 - 7.4-10.4 HB3 LEU 70 - QG1 VAL 133 far 0 85 0 - 9.5-12.8 Violated in 10 structures by 0.84 A. Peak 11769 from aliabs.peaks (1.50, 0.84, 22.12 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.81: HG LEU 42 + QG1 VAL 133 OK 81 85 95 100 4.0-5.6 2.1/10585=94, ~10587=70...(25) HG LEU 69 - QG1 VAL 133 far 0 97 0 - 6.1-10.3 HG3 LYS 86 - QG1 VAL 133 far 0 57 0 - 6.3-9.5 HB2 LEU 49 - QG1 VAL 133 far 0 98 0 - 9.5-13.4 Violated in 9 structures by 0.23 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 1.9-4.7 9128=94, 11678/2.1=91...(23) HG12 ILE 129 - HB VAL 133 far 0 98 0 - 7.4-10.2 QD2 LEU 96 - HB VAL 133 far 0 99 0 - 8.2-10.3 QG1 VAL 93 - HB VAL 133 far 0 100 0 - 8.5-10.9 QD1 ILE 37 - HB VAL 133 far 0 95 0 - 9.6-12.2 Violated in 3 structures by 0.03 A. Peak 11771 from aliabs.peaks (0.66, 2.19, 31.57 ppm; 5.56 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 43 + HB VAL 133 OK 92 92 100 100 2.5-5.1 2.1/9128=100, ~11679=92...(18) QD1 LEU 42 + HB VAL 133 OK 54 60 90 100 4.3-6.6 2.1/9087=99, ~10587=88...(25) QD1 ILE 129 - HB VAL 133 far 0 96 0 - 6.8-8.7 Violated in 0 structures by 0.00 A. Peak 11772 from aliabs.peaks (0.57, 2.19, 31.57 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 42 + HB VAL 133 OK 97 97 100 100 2.5-4.1 10585/2.1=99...(30) Violated in 0 structures by 0.00 A. Peak 11774 from aliabs.peaks (0.65, 1.04, 23.71 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.42: QD1 LEU 42 + QG2 VAL 133 OK 42 95 45 100 3.4-5.3 2.1/10587=67...(30) QD1 ILE 129 - QG2 VAL 133 far 0 100 0 - 4.8-7.2 Violated in 20 structures by 1.08 A. Peak 11775 from aliabs.peaks (0.65, 0.84, 22.12 ppm; 3.46 A): 2 out of 3 assignments used, quality = 0.83: QD1 LEU 43 + QG1 VAL 133 OK 63 63 100 100 3.0-4.3 2.1/11679=83...(30) QD1 LEU 42 + QG1 VAL 133 OK 54 90 60 100 3.4-4.8 11774/2.1=70...(32) QD1 ILE 129 - QG1 VAL 133 far 0 100 0 - 4.6-7.5 Violated in 7 structures by 0.02 A. Peak 11776 from aliabs.peaks (0.74, 1.04, 23.71 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 43 + QG2 VAL 133 OK 100 100 100 100 1.7-2.6 11090=90, 11777/2.1=67...(30) HG12 ILE 129 - QG2 VAL 133 far 0 100 0 - 5.2-8.1 QD2 LEU 96 - QG2 VAL 133 far 0 100 0 - 6.3-8.6 QG1 VAL 93 - QG2 VAL 133 far 0 100 0 - 6.5-9.2 QD1 LEU 96 - QG2 VAL 133 far 0 63 0 - 8.1-10.2 QD1 ILE 37 - QG2 VAL 133 far 0 76 0 - 8.2-9.7 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 2.0-2.9 11776/2.1=60...(30) HG12 ILE 129 - QG1 VAL 133 far 0 100 0 - 4.9-8.8 QD2 LEU 96 - QG1 VAL 133 far 0 99 0 - 6.1-8.7 QG1 VAL 93 - QG1 VAL 133 far 0 99 0 - 6.6-8.8 QD1 ILE 37 - QG1 VAL 133 far 0 68 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 11778 from aliabs.peaks (1.14, 0.84, 22.12 ppm; 3.40 A): 4 out of 4 assignments used, quality = 0.95: HG2 LYS 39 + QG1 VAL 133 OK 59 99 60 99 1.9-5.3 4.0/10578=31, ~10567=31...(27) HG3 LYS 39 + QG1 VAL 133 OK 53 83 65 99 1.9-5.3 4.0/10578=31...(26) QG2 VAL 132 + QG1 VAL 133 OK 49 100 50 98 3.8-5.8 2.1/11670=43...(30) QG1 VAL 132 + QG1 VAL 133 OK 47 95 50 99 3.0-5.6 2.1/11670=43...(27) Violated in 0 structures by 0.00 A. Peak 11779 from aliabs.peaks (1.68, 4.35, 56.69 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: HD2 LYS 39 + HA GLN 134 OK 99 100 100 99 2.3-7.5 ~10606=69, 1.8/11683=67...(11) HG2 ARG 135 + HA GLN 134 OK 71 76 100 93 5.0-7.0 7983/3.6=76...(5) HB2 LEU 43 + HA GLN 134 OK 35 71 50 100 5.9-8.6 3.2/11682=97...(15) HB2 LEU 43 + HA ASP 47 OK 28 44 80 80 6.4-8.1 9183/10901=39, ~9181=35...(5) HB2 LEU 69 - HA ASP 47 far 0 36 0 - 8.1-10.5 QB ALA 88 - HA GLN 134 far 0 90 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 11780 from aliabs.peaks (1.05, 4.35, 56.69 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.95: QG2 VAL 133 + HA GLN 134 OK 95 95 100 100 2.8-5.5 2.1/11761=91, 11667=91...(21) QG2 VAL 133 - HA ASP 47 far 0 64 0 - 8.3-9.4 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 2.3-4.6 2.1/11682=87, 11899=74...(18) QD1 LEU 43 - HA ASP 47 far 0 53 0 - 6.6-8.1 QD2 LEU 62 - HA ASP 47 far 0 51 0 - 7.9-10.1 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 1.9-4.7 9124=98, 9127/1.8=92...(31) HG12 ILE 129 - HG2 GLN 134 far 0 100 0 - 9.2-11.3 Violated in 1 structures by 0.01 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 1.8-3.9 10526=92, 10019/1.8=72...(25) HA VAL 132 - HG3 PRO 81 far 0 68 0 - 7.2-10.9 Violated in 0 structures by 0.00 A. Peak 11784 from aliabs.peaks (4.13, 2.03, 27.30 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.68: HA ILE 80 + HG3 PRO 81 OK 68 68 100 100 4.2-4.4 2478/2.3=76...(21) HA3 GLY 114 - HG3 PRO 117 far 0 60 0 - 6.7-11.4 HA3 GLY 114 - HG2 PRO 117 far 0 60 0 - 7.5-11.3 HA CYS 79 - HG3 PRO 81 far 0 44 0 - 7.9-8.7 HA ILE 80 - HG3 ARG 135 far 0 100 0 - 8.4-12.0 HB THR 83 - HG3 PRO 81 far 0 47 0 - 8.7-10.5 HB THR 83 - HG3 ARG 135 far 0 78 0 - 9.6-13.3 Violated in 20 structures by 0.27 A. Peak 11785 from aliabs.peaks (2.81, 2.03, 27.30 ppm; 4.35 A): 1 out of 8 assignments used, quality = 0.62: HB3 ASN 85 + HG3 ARG 135 OK 62 99 65 97 3.1-6.8 10302=71, ~9800=31...(12) HB3 ASN 85 - HG3 PRO 81 poor 13 66 20 - 4.6-6.9 HB2 ASN 121 - HG2 PRO 117 far 3 54 5 - 5.0-8.4 HB2 ASN 120 - HG2 PRO 117 far 0 58 0 - 6.1-8.8 HB2 ASN 121 - HG3 PRO 117 far 0 54 0 - 6.3-9.8 HB3 ASN 120 - HG2 PRO 117 far 0 57 0 - 6.4-8.9 HB2 ASN 120 - HG3 PRO 117 far 0 58 0 - 6.7-9.4 HB3 ASN 120 - HG3 PRO 117 far 0 57 0 - 6.7-9.4 Violated in 15 structures by 0.76 A. Peak 11786 from aliabs.peaks (1.12, 1.89, 30.87 ppm; 5.16 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 132 + HB2 ARG 135 OK 99 99 100 100 3.1-4.8 11659/1.8=93...(32) QG2 VAL 132 + HB2 ARG 135 OK 70 83 85 100 4.0-6.4 3.2/10638=72, ~11659=70...(31) HG2 LYS 39 - HB2 ARG 135 far 0 92 0 - 6.7-10.8 Violated in 0 structures by 0.00 A. Peak 11787 from aliabs.peaks (1.13, 1.82, 30.87 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 132 + HB3 ARG 135 OK 100 100 100 100 4.0-5.1 3.2/11884=63, 11659=52...(31) QG2 VAL 132 + HB3 ARG 135 OK 24 96 25 100 5.0-6.5 3.2/11884=63, ~10638=46...(30) HG12 ILE 32 - HB3 ARG 23 far 3 53 5 - 5.5-18.6 QG2 VAL 132 - HB VAL 93 far 0 47 0 - 6.1-7.0 QG1 VAL 132 - HB VAL 93 far 0 53 0 - 6.6-7.9 HG2 LYS 39 - HB3 ARG 135 far 0 99 0 - 7.9-12.2 Violated in 3 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 95 100 95 100 3.7-6.6 3.2/10019=69, ~11783=49...(37) QG1 VAL 132 + HG2 ARG 135 OK 92 92 100 100 2.2-5.2 3.2/10019=69...(37) HG2 LYS 39 - HG2 ARG 135 far 0 99 0 - 7.5-10.7 HG3 LYS 39 - HG2 ARG 135 far 0 87 0 - 8.0-11.1 Violated in 1 structures by 0.02 A. Peak 11789 from aliabs.peaks (1.13, 2.92, 44.19 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.94: QG1 VAL 132 + HD2 ARG 135 OK 80 100 80 100 2.0-5.3 3.2/10529=47...(30) QG2 VAL 132 + HD2 ARG 135 OK 68 97 70 100 3.4-6.3 3.2/10529=47, ~10635=30...(30) HG2 LYS 39 - HD2 ARG 135 far 0 100 0 - 7.7-12.8 Violated in 11 structures by 0.24 A. Peak 11790 from aliabs.peaks (2.03, 2.03, 16.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 11791 from aliabs.peaks (2.44, 2.03, 16.66 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.95: HG2 MET 11 + QE MET 11 OK 95 99 100 96 2.0-3.2 3.3=77, 1.8/11792=65...(6) HG2 GLN 101 - QE MET 11 far 0 97 0 - 7.0-47.2 Violated in 1 structures by 0.01 A. Peak 11792 from aliabs.peaks (2.54, 2.03, 16.66 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.67: HG3 MET 11 + QE MET 11 OK 67 68 100 98 2.0-3.4 3.3=86, 1.8/11791=72...(6) HG3 GLN 101 - QE MET 11 far 0 87 0 - 6.5-48.0 Violated in 5 structures by 0.02 A. Peak 11793 from aliabs.peaks (2.61, 2.03, 16.66 ppm; 3.57 A): 0 out of 2 assignments used, quality = 0.00: HB2 ASN 59 - QE MET 11 far 0 100 0 - 8.5-43.0 HB2 ASP 71 - QE MET 11 far 0 100 0 - 9.0-39.4 Violated in 20 structures by 18.91 A. Peak 11794 from aliabs.peaks (1.65, 2.03, 16.66 ppm; 2.99 A): 0 out of 12 assignments used, quality = 0.00: HD3 LYS 24 - QE MET 11 far 5 99 5 - 3.5-25.8 HD2 LYS 24 - QE MET 11 far 5 92 5 - 2.9-25.6 HD2 LYS 26 - QE MET 11 far 0 95 0 - 4.1-32.0 HD3 LYS 26 - QE MET 11 far 0 90 0 - 4.2-31.8 HB3 LEU 22 - QE MET 11 far 0 60 0 - 5.7-22.8 HG LEU 22 - QE MET 11 far 0 71 0 - 6.9-24.9 HD3 LYS 31 - QE MET 11 far 0 96 0 - 8.0-33.3 HD3 LYS 19 - QE MET 11 far 0 100 0 - 8.1-17.3 HG3 ARG 23 - QE MET 11 far 0 68 0 - 8.1-25.0 HD2 LYS 31 - QE MET 11 far 0 98 0 - 8.3-32.6 HD2 LYS 19 - QE MET 11 far 0 100 0 - 8.4-18.6 HB2 LEU 98 - QE MET 11 far 0 100 0 - 9.2-50.2 Violated in 19 structures by 7.36 A. Peak 11795 from aliabs.peaks (1.54, 2.03, 16.66 ppm; 3.09 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 22 - QE MET 11 far 0 100 0 - 5.3-23.7 HG2 ARG 23 - QE MET 11 far 0 87 0 - 7.0-24.2 HG LEU 103 - QE MET 11 far 0 93 0 - 7.9-43.6 Violated in 20 structures by 11.88 A. Peak 11796 from aliabs.peaks (1.46, 2.03, 16.66 ppm; 3.23 A): 0 out of 3 assignments used, quality = 0.00: HG3 LYS 24 - QE MET 11 far 4 89 5 - 2.1-25.4 HG3 LYS 19 - QE MET 11 far 0 65 0 - 6.0-18.9 HG2 LYS 31 - QE MET 11 far 0 99 0 - 7.9-32.5 Violated in 19 structures by 9.73 A. Peak 11797 from aliabs.peaks (1.32, 2.03, 16.66 ppm; 3.41 A): 0 out of 1 assignment used, quality = 0.00: QB ALA 21 - QE MET 11 far 0 60 0 - 6.6-16.2 Violated in 20 structures by 9.80 A. Peak 11798 from aliabs.peaks (2.74, 2.03, 16.66 ppm; 3.41 A): 0 out of 3 assignments used, quality = 0.00: HB3 ASN 13 - QE MET 11 far 0 68 0 - 4.9-10.7 HB2 ASP 64 - QE MET 11 far 0 98 0 - 5.2-37.2 HB3 ASP 35 - QE MET 11 far 0 92 0 - 9.3-38.5 Violated in 20 structures by 5.17 A. Peak 11799 from aliabs.peaks (4.41, 2.03, 16.66 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.99: HA MET 11 + QE MET 11 OK 99 99 100 100 2.8-4.7 130/11791=78, 5.1=75...(10) HA SER 9 - QE MET 11 far 3 63 5 - 2.8-9.9 HA SER 107 - QE MET 11 far 0 85 0 - 7.7-45.4 HA ASP 71 - QE MET 11 far 0 99 0 - 7.9-40.6 Violated in 2 structures by 0.01 A. Peak 11803 from aliabs.peaks (2.74, 0.75, 26.12 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 125 + QD2 LEU 96 OK 99 99 100 100 3.3-4.3 9986/2.1=82, 1.8/9989=72...(30) HB2 CYS 73 + QD2 LEU 96 OK 90 100 95 95 3.5-5.6 2232/11810=52...(12) HB2 TYR 76 - QD2 LEU 96 far 0 71 0 - 7.3-9.3 HB2 ASP 131 - QD2 LEU 96 far 0 60 0 - 8.8-10.7 HB2 ASP 47 - QD2 LEU 96 far 0 78 0 - 9.8-11.6 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 - 5.9-7.0 QG1 VAL 132 - QD2 LEU 96 far 0 87 0 - 7.4-8.5 HB3 LEU 62 - QD2 LEU 96 far 0 100 0 - 7.8-11.5 Violated in 20 structures by 1.71 A. Peak 11805 from aliabs.peaks (1.66, 0.75, 26.12 ppm; 3.48 A): 1 out of 7 assignments used, quality = 0.79: HB2 LEU 69 + QD2 LEU 96 OK 79 99 85 94 2.0-5.7 3.2/11037=29...(20) HD3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.5-8.5 HD2 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.6-8.5 HB2 LEU 98 - QD2 LEU 96 far 0 96 0 - 6.9-8.9 QB ALA 88 - QD2 LEU 96 far 0 100 0 - 7.5-9.2 HB2 LEU 123 - QD2 LEU 96 far 0 98 0 - 8.1-9.6 HG LEU 43 - QD2 LEU 96 far 0 92 0 - 9.1-10.4 Violated in 6 structures by 0.33 A. Peak 11806 from aliabs.peaks (3.26, 0.75, 26.12 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 93 + QD2 LEU 96 OK 99 99 100 100 1.9-2.8 2906=49, ~9974=40...(39) Violated in 0 structures by 0.00 A. Peak 11807 from aliabs.peaks (3.42, 0.75, 26.12 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.96: HA VAL 126 + QD2 LEU 96 OK 96 96 100 100 2.6-3.2 11452/2.1=76...(30) HB3 HIS 67 - QD2 LEU 96 far 0 90 0 - 7.0-8.9 HA VAL 77 - QD2 LEU 96 far 0 65 0 - 8.6-9.8 HA LYS 39 - QD2 LEU 96 far 0 71 0 - 9.9-11.1 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 = 0.91: HA2 GLY 66 + QD1 LEU 96 OK 71 90 100 78 2.8-4.2 9991/2.1=47, ~9991=18...(12) HA3 GLY 66 + QD1 LEU 96 OK 70 97 100 73 3.0-4.4 ~9991=36, 9991/2.1=24...(12) Violated in 0 structures by 0.00 A. Peak 11809 from aliabs.peaks (3.77, 0.75, 26.12 ppm; 4.14 A): 1 out of 7 assignments used, quality = 0.97: HA GLU 97 + QD2 LEU 96 OK 97 97 100 100 4.3-4.7 2.8/3098=65...(33) HA ARG 90 - QD2 LEU 96 far 0 65 0 - 5.5-6.6 HB2 SER 99 - QD2 LEU 96 far 0 97 0 - 6.3-7.7 HB3 SER 130 - QD2 LEU 96 far 0 100 0 - 7.0-8.4 HA SER 130 - QD2 LEU 96 far 0 100 0 - 7.1-7.7 HA LEU 43 - QD2 LEU 96 far 0 100 0 - 7.3-8.5 HA VAL 133 - QD2 LEU 96 far 0 100 0 - 9.4-10.7 Violated in 20 structures by 0.35 A. Peak 11810 from aliabs.peaks (3.87, 0.75, 26.12 ppm; 3.82 A): 1 out of 7 assignments used, quality = 0.76: HA LEU 70 + QD2 LEU 96 OK 76 98 100 78 3.2-3.8 11105/11693=26...(12) HA ALA 46 - QD2 LEU 96 far 0 83 0 - 4.9-6.3 HA LEU 123 - QD2 LEU 96 far 0 81 0 - 6.0-7.9 HB2 SER 94 - QD2 LEU 96 far 0 65 0 - 6.3-7.3 HB3 SER 50 - QD2 LEU 96 far 0 99 0 - 8.5-11.5 HA LYS 86 - QD2 LEU 96 far 0 92 0 - 9.4-10.5 HA3 GLY 75 - QD2 LEU 96 far 0 81 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 11811 from aliabs.peaks (4.34, 0.75, 26.12 ppm; 4.71 A): 2 out of 5 assignments used, quality = 0.94: HA CYS 125 + QD2 LEU 96 OK 78 87 90 100 5.1-5.7 3.0/9989=65, ~9987=50...(34) HA LEU 69 + QD2 LEU 96 OK 73 97 75 100 4.2-6.4 3.0/11805=85...(16) HA ASP 47 - QD2 LEU 96 far 0 100 0 - 8.5-9.7 HA2 GLY 75 - QD2 LEU 96 far 0 95 0 - 9.2-11.4 HA ASP 131 - QD2 LEU 96 far 0 57 0 - 9.6-10.4 Violated in 7 structures by 0.05 A. Peak 11812 from aliabs.peaks (4.34, 0.77, 23.66 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.81: HA LEU 69 + QD1 LEU 96 OK 64 99 65 99 5.0-6.5 ~11805=61, ~11694=58...(13) HA CYS 125 + QD1 LEU 96 OK 47 93 50 100 5.5-6.1 3.0/9987=85, 3.0/9986=83...(25) HA ASP 47 - QD1 LEU 96 far 0 100 0 - 8.2-9.9 HA ASN 59 - QD1 LEU 96 far 0 99 0 - 9.2-10.9 Violated in 15 structures by 0.17 A. Peak 11813 from aliabs.peaks (4.33, 4.00, 62.52 ppm; 3.81 A): 1 out of 9 assignments used, quality = 0.58: HA CYS 125 + HB2 SER 124 OK 58 64 100 91 4.0-4.3 11589=63, 2.9/7780=51...(5) HA ASP 47 - HA SER 50 far 0 100 0 - 4.9-6.0 HA ASP 47 - HB3 SER 51 far 0 71 0 - 4.9-7.5 HA CYS 125 - HB3 SER 124 far 0 44 0 - 5.3-5.6 HA LYS 24 - HA VAL 20 far 0 92 0 - 6.7-11.2 HA2 GLY 75 - HA VAL 20 far 0 89 0 - 7.0-32.0 HA PRO 117 - HB3 SER 124 far 0 31 0 - 8.4-11.3 HA PRO 117 - HB2 SER 124 far 0 47 0 - 9.2-11.3 HA CYS 125 - HA SER 50 far 0 83 0 - 9.7-10.8 Violated in 20 structures by 0.26 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 2.1-3.5 3.7=100 H LEU 123 - HB2 SER 99 poor 17 83 20 - 5.0-7.1 H LEU 96 - HB2 SER 99 far 0 96 0 - 5.7-7.5 H VAL 126 - HB2 SER 99 far 0 99 0 - 6.1-8.1 Violated in 0 structures by 0.00 A. Peak 11815 from aliabs.peaks (8.48, 3.76, 63.23 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: H LEU 100 + HB2 SER 99 OK 100 100 100 100 2.2-4.3 4.5=100 H GLU 97 + HB2 SER 99 OK 49 93 60 87 5.2-6.9 3.6/3208=37, 7385/3.7=37...(14) H LEU 70 - HB2 SER 99 far 0 87 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 11816 from aliabs.peaks (1.96, 3.82, 62.30 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.44: HG LEU 53 + HB2 SER 50 OK 44 81 55 100 5.1-7.7 2.1/11699=64, ~9218=64...(19) Violated in 18 structures by 0.97 A. Peak 11817 from aliabs.peaks (0.94, 3.82, 62.30 ppm; 4.27 A): 3 out of 12 assignments used, quality = 0.98: QD1 LEU 123 + HB2 SER 50 OK 90 90 100 100 2.1-4.4 11772/3.0=67, ~11636=43...(26) QG1 VAL 126 + HB2 SER 130 OK 63 87 80 90 3.7-5.8 10409/11718=52...(9) QG1 VAL 126 + HB2 SER 50 OK 51 92 65 85 3.1-6.0 11785/3.9=49, ~11668=36...(10) QD1 LEU 49 - HB2 SER 50 poor 18 60 35 87 3.0-7.1 ~11338=33, 11339/1.8=19...(20) QG2 VAL 126 - HB2 SER 50 far 0 81 0 - 5.4-8.1 QD2 LEU 53 - HB2 SER 50 far 0 71 0 - 5.6-7.8 QD1 LEU 49 - HB2 SER 130 far 0 56 0 - 5.7-9.0 QG2 VAL 126 - HB2 SER 130 far 0 76 0 - 6.2-8.2 QD1 LEU 123 - HB2 SER 130 far 0 86 0 - 6.8-9.6 QD1 LEU 62 - HB2 SER 50 far 0 63 0 - 8.3-10.9 QG2 ILE 37 - HB2 SER 130 far 0 96 0 - 8.7-11.3 QG1 VAL 57 - HB2 SER 50 far 0 100 0 - 10.0-11.2 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 = 0.84: H LEU 123 + QD2 LEU 53 OK 84 95 90 99 2.5-6.9 2.9/9254=88, 3907/2.1=46...(12) H VAL 126 - QD2 LEU 53 poor 20 100 20 - 5.5-9.0 H LEU 49 - QD2 LEU 53 poor 17 83 20 - 4.5-8.6 H LEU 69 - QD2 LEU 53 far 0 87 0 - 7.8-13.9 H SER 99 - QD2 LEU 53 far 0 97 0 - 8.1-13.6 H LEU 96 - QD2 LEU 53 far 0 100 0 - 9.0-13.6 Violated in 2 structures by 0.15 A. Peak 11820 from aliabs.peaks (8.47, 0.80, 26.84 ppm; 5.41 A): 2 out of 6 assignments used, quality = 0.89: H LEU 70 + QD2 LEU 49 OK 83 97 90 95 5.0-6.6 3.6/11056=36...(13) H ASP 47 + QD2 LEU 49 OK 35 89 40 99 4.6-6.9 3.6/10951=65...(14) H LEU 100 - QD2 LEU 49 far 5 95 5 - 6.2-8.0 H GLU 97 - QD2 LEU 49 far 0 78 0 - 6.9-9.7 H VAL 132 - HG13 ILE 80 far 0 61 0 - 7.4-9.6 H VAL 132 - QD2 LEU 49 far 0 100 0 - 9.9-12.9 Violated in 4 structures by 0.06 A. Peak 11822 from aliabs.peaks (0.90, 0.73, 25.24 ppm; 2.66 A): 3 out of 11 assignments used, quality = 1.00: QG2 VAL 63 + QD2 LEU 103 OK 92 99 100 93 1.7-3.3 2034/11832=23...(33) QG1 VAL 118 + QD2 LEU 103 OK 81 97 90 93 1.7-3.9 11612/2.1=23, ~10265=22...(24) QD1 LEU 62 + QD2 LEU 103 OK 70 97 90 79 2.2-4.4 3.2/11823=27...(16) QD1 LEU 49 - QD2 LEU 103 far 0 98 0 - 5.0-8.8 QD2 LEU 123 - QD2 LEU 103 far 0 81 0 - 6.1-9.4 QG2 VAL 112 - QD2 LEU 103 far 0 83 0 - 6.3-9.1 QD1 LEU 123 - QD2 LEU 103 far 0 78 0 - 7.7-10.3 QD1 LEU 48 - QD2 LEU 103 far 0 99 0 - 7.7-11.4 QD2 LEU 48 - QD2 LEU 103 far 0 99 0 - 7.9-10.8 QD2 LEU 98 - QD2 LEU 103 far 0 81 0 - 8.1-10.3 QD1 LEU 22 - QD2 LEU 103 far 0 90 0 - 9.6-33.8 Violated in 1 structures by 0.01 A. Peak 11823 from aliabs.peaks (1.15, 0.73, 25.24 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.93: HB3 LEU 62 + QD2 LEU 103 OK 93 100 95 98 2.3-5.2 1.8/11826=48...(15) QG2 THR 115 - QD2 LEU 103 far 0 87 0 - 5.3-8.3 Violated in 1 structures by 0.08 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 - 8.7-10.8 Violated in 20 structures by 5.67 A. Peak 11825 from aliabs.peaks (1.41, 0.73, 25.24 ppm; 3.82 A): 0 out of 8 assignments used, quality = 0.00: QB ALA 108 - QD2 LEU 103 far 6 63 10 - 4.5-8.9 QB ALA 109 - QD2 LEU 103 far 0 83 0 - 4.8-8.0 QB ALA 110 - QD2 LEU 103 far 0 71 0 - 6.1-10.7 HG LEU 96 - QD2 LEU 103 far 0 97 0 - 7.0-10.4 HB2 LEU 96 - QD2 LEU 103 far 0 65 0 - 7.2-11.0 QB ALA 29 - QD2 LEU 103 far 0 60 0 - 9.2-22.4 QB ALA 15 - QD2 LEU 103 far 0 68 0 - 9.9-33.9 QB ALA 92 - QD2 LEU 103 far 0 78 0 - 10.0-12.6 Violated in 20 structures by 1.60 A. Peak 11826 from aliabs.peaks (2.06, 0.73, 25.24 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.97: HB2 LEU 62 + QD2 LEU 103 OK 93 100 95 98 1.9-4.7 1.8/11823=69...(14) HB VAL 118 + QD2 LEU 103 OK 54 99 55 99 2.5-4.8 ~10265=41, 11611/2.1=40...(29) HB2 GLU 102 - QD2 LEU 103 far 0 76 0 - 4.9-7.5 HG2 PRO 117 - QD2 LEU 103 far 0 99 0 - 6.4-9.4 HG3 PRO 117 - QD2 LEU 103 far 0 99 0 - 7.5-10.5 HG3 PRO 58 - QD2 LEU 103 far 0 100 0 - 7.7-10.3 HG3 PRO 113 - QD2 LEU 103 far 0 100 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 11827 from aliabs.peaks (2.21, 0.73, 25.24 ppm; 4.33 A): 1 out of 8 assignments used, quality = 0.89: HB3 GLN 104 + QD2 LEU 103 OK 89 90 100 98 3.2-5.0 3.0/11828=58...(26) HB2 GLN 104 - QD2 LEU 103 poor 17 85 20 - 3.7-6.1 HB3 GLU 102 - QD2 LEU 103 far 0 81 0 - 6.0-7.3 HB2 GLN 101 - QD2 LEU 103 far 0 100 0 - 6.4-8.4 HG2 GLN 68 - QD2 LEU 103 far 0 99 0 - 7.3-13.6 HB3 GLU 97 - QD2 LEU 103 far 0 96 0 - 7.6-10.8 HB2 GLN 68 - QD2 LEU 103 far 0 97 0 - 8.8-11.6 HB3 GLN 68 - QD2 LEU 103 far 0 65 0 - 8.8-12.0 Violated in 15 structures by 0.32 A. Peak 11828 from aliabs.peaks (2.37, 0.73, 25.24 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.93: HG2 GLN 104 + QD2 LEU 103 OK 93 96 100 97 4.7-5.3 3.0/11827=67...(13) HB2 PRO 117 - QD2 LEU 103 far 0 96 0 - 8.1-10.5 HG3 GLU 55 - QD2 LEU 103 far 0 100 0 - 9.8-14.0 Violated in 20 structures by 0.45 A. Peak 11829 from aliabs.peaks (2.62, 0.73, 25.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.94: HB2 ASN 59 + QD2 LEU 103 OK 94 99 95 100 1.8-6.2 11833/2.1=76...(21) Violated in 8 structures by 0.22 A. Peak 11830 from aliabs.peaks (2.87, 0.73, 25.24 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.94: HB3 ASN 59 + QD2 LEU 103 OK 94 99 95 100 3.2-6.4 1.8/11829=90...(18) HB2 ASN 116 - QD2 LEU 103 poor 14 90 25 61 4.2-7.7 3.5/11416=25, ~10232=20...(7) Violated in 8 structures by 0.21 A. Peak 11831 from aliabs.peaks (2.92, 0.73, 25.24 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.35: HB3 ASN 116 + QD2 LEU 103 OK 35 90 60 65 4.2-7.0 3.5/11416=29, ~10232=24...(6) Violated in 15 structures by 0.68 A. Peak 11832 from aliabs.peaks (3.36, 0.73, 25.24 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.94: HA VAL 63 + QD2 LEU 103 OK 94 100 95 100 1.9-5.4 11835/2.1=63...(38) HB2 HIS 67 - QD2 LEU 103 far 0 89 0 - 6.1-9.3 Violated in 3 structures by 0.07 A. Peak 11833 from aliabs.peaks (2.61, 0.78, 24.12 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.90: HB2 ASN 59 + QD1 LEU 103 OK 90 100 90 100 1.9-5.4 1.8/11834=81...(19) Violated in 2 structures by 0.10 A. Peak 11834 from aliabs.peaks (2.88, 0.78, 24.12 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.84: HB3 ASN 59 + QD1 LEU 103 OK 84 99 85 100 2.4-6.3 1.8/11833=73...(20) Violated in 16 structures by 0.61 A. Peak 11835 from aliabs.peaks (3.36, 0.78, 24.12 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.65: HA VAL 63 + QD1 LEU 103 OK 65 100 65 100 3.0-5.9 11832/2.1=80...(31) HB2 HIS 67 - QD1 LEU 103 far 0 83 0 - 5.7-10.2 Violated in 16 structures by 0.66 A. Peak 11836 from aliabs.peaks (0.90, 4.01, 57.03 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.98: QG1 VAL 118 + HA LEU 103 OK 96 97 100 99 2.5-4.5 11705/3.0=36, 11598=34...(17) QG2 VAL 63 + HA LEU 103 OK 40 99 45 91 3.7-5.8 11811/3.6=30, ~10972=24...(21) QD1 LEU 62 - HA LEU 103 far 0 97 0 - 5.3-7.9 QG2 VAL 112 - HA LEU 103 far 0 83 0 - 6.9-10.3 QD2 LEU 98 - HA LEU 103 far 0 81 0 - 9.3-11.1 QD1 LEU 49 - HA LEU 103 far 0 98 0 - 9.4-12.7 Violated in 6 structures by 0.05 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 3.1-4.9 3.0/11834=58...(19) HA ALA 108 - QD1 LEU 103 far 3 60 5 - 3.8-9.6 HA ALA 110 - QD1 LEU 103 far 0 78 0 - 5.6-11.7 HA ALA 109 - QD1 LEU 103 far 0 60 0 - 6.2-10.5 HA GLN 61 - QD1 LEU 103 far 0 65 0 - 7.0-9.0 Violated in 6 structures by 0.10 A. Peak 11838 from aliabs.peaks (0.49, 0.73, 25.24 ppm; 4.27 A): 0 out of 0 assignments used, quality = 0.00: Peak 11839 from aliabs.peaks (0.34, 0.73, 25.24 ppm; 4.41 A): 0 out of 0 assignments used, quality = 0.00: Peak 11840 from aliabs.peaks (0.24, 0.73, 25.24 ppm; 4.43 A): 0 out of 0 assignments used, quality = 0.00: Peak 11841 from aliabs.peaks (3.82, 0.73, 25.24 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.79: HA LEU 62 + QD2 LEU 103 OK 79 93 85 99 3.8-7.0 3.0/11823=71...(15) HA VAL 118 - QD2 LEU 103 far 14 90 15 - 4.5-6.9 HA LEU 123 - QD2 LEU 103 far 0 57 0 - 6.4-10.1 HD3 PRO 58 - QD2 LEU 103 far 0 100 0 - 7.8-10.5 HB2 SER 50 - QD2 LEU 103 far 0 100 0 - 9.9-14.1 Violated in 14 structures by 0.53 A. Peak 11842 from aliabs.peaks (3.64, 0.73, 25.24 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.44: HA3 GLY 66 + QD2 LEU 103 OK 44 100 90 49 3.8-7.3 10999/11826=26...(5) HA2 GLY 66 - QD2 LEU 103 poor 6 97 25 26 5.1-8.7 11018/11832=23, 4.9/11949=2 HD2 PRO 58 - QD2 LEU 103 far 0 83 0 - 7.2-9.6 Violated in 12 structures by 0.41 A. Peak 11843 from aliabs.peaks (4.80, 1.14, 23.00 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.95: HA ASN 85 + QG2 VAL 132 OK 88 93 95 99 4.0-5.1 ~10535=37, ~10545=37...(22) HA ASN 85 + QG1 VAL 132 OK 62 62 100 99 2.0-3.0 2.9/10545=44...(22) Violated in 0 structures by 0.00 A. Peak 11844 from aliabs.peaks (4.01, 0.79, 26.16 ppm; 3.29 A): 5 out of 19 assignments used, quality = 0.98: HA SER 50 + QD1 LEU 53 OK 82 87 100 95 1.8-3.9 9218=44, 11636/11422=39...(17) HB3 SER 99 + QD2 LEU 122 OK 53 69 80 96 1.9-5.7 11476=39, 1.8/11479=37...(26) HA LEU 122 + QD2 LEU 122 OK 49 53 100 93 1.8-4.1 3.9=58, 3.6/3907=16...(22) HA LEU 119 + QD1 LEU 53 OK 25 97 30 88 3.5-7.4 11845/2.1=55...(22) HA LEU 119 + QD2 LEU 122 OK 22 77 35 81 2.4-5.9 3764/3.1=34, 3759/2.1=18...(20) HA LEU 122 - QD1 LEU 53 far 4 71 5 - 4.1-8.5 HA SER 50 - QD2 LEU 122 far 0 67 0 - 4.5-9.5 HA LEU 103 - QD2 LEU 122 far 0 84 0 - 4.7-8.6 HB3 SER 124 - QD1 LEU 53 far 0 100 0 - 5.3-7.9 HA LYS 95 - QD2 LEU 122 far 0 79 0 - 5.7-8.5 HB2 SER 124 - QD2 LEU 122 far 0 53 0 - 6.3-8.4 HB3 SER 99 - QD1 LEU 53 far 0 89 0 - 6.4-10.5 HB3 SER 124 - QD2 LEU 122 far 0 84 0 - 6.5-8.3 HB2 SER 124 - QD1 LEU 53 far 0 71 0 - 6.6-8.4 HA SER 60 - QD2 LEU 122 far 0 83 0 - 7.5-10.6 HA GLN 68 - QD2 LEU 122 far 0 76 0 - 7.9-11.1 HA LEU 103 - QD1 LEU 53 far 0 100 0 - 8.4-13.8 HA SER 60 - QD1 LEU 53 far 0 100 0 - 8.7-14.1 HA GLU 44 - QD1 LEU 53 far 0 65 0 - 9.7-12.8 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 = 0.69: HA LEU 119 + QD2 LEU 53 OK 69 100 85 82 1.9-7.5 2.9/1680=21...(20) HA SER 50 - QD2 LEU 53 poor 16 63 25 - 3.4-6.0 HA LEU 122 - QD2 LEU 53 far 0 92 0 - 4.6-9.7 HB3 SER 99 - QD2 LEU 53 far 0 65 0 - 5.7-11.3 HB3 SER 124 - QD2 LEU 53 far 0 96 0 - 5.9-8.5 HA LEU 96 - QD2 LEU 53 far 0 60 0 - 6.9-11.9 HA LEU 103 - QD2 LEU 53 far 0 97 0 - 7.1-13.9 HA SER 60 - QD2 LEU 53 far 0 92 0 - 8.1-14.6 Violated in 6 structures by 0.54 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 94 97 100 97 2.2-4.9 2.1/10038=77...(6) QD2 LEU 123 + HA LEU 53 OK 60 83 85 85 3.8-6.2 11422/1671=45...(8) QD1 LEU 49 - HA LEU 53 far 10 97 10 - 4.2-8.6 QD1 LEU 123 - HA LEU 53 far 4 76 5 - 5.0-6.6 QG1 VAL 118 - HA LEU 53 far 0 98 0 - 6.3-9.5 QD2 LEU 48 - HA LEU 53 far 0 99 0 - 7.2-7.8 QD1 LEU 48 - HA LEU 53 far 0 99 0 - 7.3-10.2 QG2 VAL 63 - HA LEU 53 far 0 99 0 - 8.0-11.1 QG2 VAL 112 - HA LEU 53 far 0 81 0 - 9.2-12.3 Violated in 2 structures by 0.03 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 98 100 100 98 1.8-3.2 9441/2.1=51...(17) QG2 THR 65 + QD2 LEU 48 OK 64 66 100 98 1.8-4.2 9441/2.1=51...(21) QG2 THR 54 + QD1 LEU 123 OK 29 41 85 83 3.0-6.0 11583/2.1=48, 9275=38...(10) QG2 THR 65 - QD1 LEU 123 far 0 52 0 - 6.6-8.7 QG2 THR 54 - QD2 LEU 48 far 0 52 0 - 6.7-7.5 QG2 THR 54 - QD1 LEU 48 far 0 89 0 - 7.3-9.2 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 7 assignments used, quality = 0.69: H GLU 102 + HB3 LEU 103 OK 54 68 80 100 4.1-6.4 3.0/7474=83...(24) H GLU 102 + HB3 LEU 98 OK 32 96 35 95 4.9-6.9 7451/10051=48, ~3155=37...(10) H GLU 102 - HB3 LEU 122 far 0 89 0 - 5.9-10.1 H GLN 68 - HB2 LEU 48 far 0 71 0 - 7.6-11.1 H GLN 68 - HB3 LEU 103 far 0 59 0 - 8.7-13.6 H GLN 68 - HB3 LEU 122 far 0 80 0 - 9.1-11.5 H ALA 92 - HB3 LEU 98 far 0 68 0 - 9.9-12.1 Violated in 4 structures by 0.04 A. Peak 11851 from aliabs.peaks (8.49, 1.78, 41.87 ppm; 4.81 A): 4 out of 10 assignments used, quality = 0.99: H LEU 100 + HB3 LEU 98 OK 79 99 80 100 4.5-6.0 10020/1.8=43, ~3166=40...(33) H GLU 97 + HB3 LEU 98 OK 70 100 70 99 4.4-6.1 3.9/7364=73...(12) H LEU 100 + HB3 LEU 122 OK 65 94 70 99 2.6-7.1 10026/3.1=49, 7399=36...(29) H LEU 100 + HB3 LEU 103 OK 40 74 55 98 4.4-7.9 10047/3.9=40, ~3370=37...(21) H GLU 97 - HB3 LEU 122 far 14 96 15 - 5.5-9.0 H LEU 70 - HB3 LEU 122 far 0 54 0 - 8.4-10.9 H HIS 4 - HB3 LEU 98 far 0 85 0 - 8.6-71.9 H LEU 70 - HB2 LEU 48 far 0 47 0 - 8.9-12.9 H GLU 97 - HB3 LEU 103 far 0 75 0 - 8.9-12.6 H LEU 70 - HB3 LEU 103 far 0 38 0 - 9.4-14.2 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 8 76 10 - 5.8-8.2 H ALA 92 - HG LEU 98 far 0 92 0 - 8.8-10.7 H GLN 68 - HG LEU 48 far 0 56 0 - 9.1-11.4 Violated in 20 structures by 1.73 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 2.3-4.7 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; 5.57 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 133 + HB3 GLN 134 OK 85 85 100 100 2.7-5.6 2.1/11765=81...(20) Violated in 1 structures by 0.00 A. Peak 11855 from aliabs.peaks (0.68, 2.02, 30.42 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 43 + HB2 GLN 134 OK 99 99 100 100 3.1-5.2 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 3.9-5.5 2.1/11854=95...(24) QG2 ILE 129 - HB3 GLN 134 poor 20 99 20 - 6.5-9.0 QG2 ILE 80 - HB3 GLN 134 far 0 90 0 - 8.2-9.9 HG13 ILE 80 - HB3 GLN 134 far 0 85 0 - 8.7-11.4 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 2 assignments used, quality = 0.98: HA VAL 77 + HG3 LYS 86 OK 98 98 100 100 4.0-5.0 9725/9827=91, ~11742=86...(31) HA LEU 42 - HG3 LYS 36 far 3 25 10 - 6.9-10.5 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 3.5-4.6 2.1/11742=99, 9650=91...(34) QG2 VAL 133 - HG2 LYS 86 far 0 68 0 - 6.5-9.4 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 3.2-6.0 9650/1.8=100...(29) QG2 VAL 133 - HG3 LYS 86 far 0 92 0 - 7.1-10.3 Violated in 9 structures by 0.17 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 1.9-3.6 11776/11747=69...(24) 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 6 assignments used, quality = 1.00: QG1 VAL 133 + HA SER 130 OK 100 100 100 100 1.8-4.6 2.1/11861=71...(25) QG2 ILE 129 + HA SER 130 OK 96 96 100 100 3.1-4.1 4143/2.9=69, 9731=46...(28) HG13 ILE 80 - HA SER 130 far 0 73 0 - 7.7-9.9 QG2 ILE 80 - HA SER 130 far 0 81 0 - 7.7-9.9 QD2 LEU 70 - HA SER 130 far 0 81 0 - 9.5-11.4 QD1 LEU 70 - HA SER 130 far 0 73 0 - 9.9-12.9 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 1.8-2.0 11805/3.0=62...(35) HG12 ILE 129 - HA SER 130 far 0 99 0 - 5.8-6.4 QD2 LEU 96 - HA SER 130 far 0 100 0 - 7.1-7.7 QD1 LEU 96 - HA SER 130 far 0 85 0 - 8.5-9.7 QG1 VAL 93 - HA SER 130 far 0 100 0 - 8.7-9.5 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 3.4-4.3 9176/11747=94...(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 2.3-4.0 2.9/11192=82...(20) Violated in 0 structures by 0.00 A. Peak 11868 from aliabs.peaks (4.67, 3.80, 63.56 ppm; 5.06 A): 4 out of 8 assignments used, quality = 1.00: HA HIS 10 + HB3 SER 9 OK 90 93 100 96 3.9-5.6 ~6054=53, ~100=51...(6) HA HIS 8 + HB3 SER 9 OK 73 93 95 82 4.0-6.0 6045/4.0=82 HA HIS 10 + HB2 SER 9 OK 69 73 100 95 3.8-5.7 ~6054=53, ~100=51...(6) HA HIS 8 + HB2 SER 9 OK 60 73 100 82 4.0-5.9 6045/4.0=82 HA HIS 7 - HB3 SER 9 far 4 71 5 - 4.2-9.6 HA HIS 7 - HB2 SER 9 far 3 53 5 - 5.3-9.6 HA ASN 13 - HB3 SER 9 far 0 90 0 - 7.6-14.7 HA ASN 13 - HB2 SER 9 far 0 70 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 11869 from aliabs.peaks (1.36, 2.82, 38.56 ppm; 5.07 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 12 + HB2 ASN 13 OK 99 100 100 99 4.8-5.2 6085/6087=87...(6) QB ALA 15 + HB2 ASN 13 OK 37 71 80 65 3.4-7.7 10659/6107=44...(4) QB ALA 21 - HB2 ASN 13 far 0 97 0 - 7.1-15.7 HG2 LYS 19 - HB2 ASN 13 far 0 93 0 - 8.1-14.9 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 3.6-5.0 6085/6088=95...(6) QB ALA 15 + HB3 ASN 13 OK 26 63 55 74 3.4-7.4 10659/6108=49...(4) QB ALA 21 - HB3 ASN 13 far 0 99 0 - 7.4-16.5 HG2 LYS 19 - HB3 ASN 13 far 0 89 0 - 8.1-16.1 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 17 assignments used, quality = 1.00: QG2 THR 18 + HA LYS 19 OK 99 100 100 99 2.8-5.2 6147/3.0=56, ~6146=47...(14) QG2 THR 25 + HA LYS 26 OK 57 95 60 99 3.0-5.6 6248/2.9=77, ~6247=50...(17) QB ALA 41 - HA LYS 36 poor 20 50 40 - 2.0-6.4 HG12 ILE 32 - HA LYS 31 far 14 95 15 - 5.2-5.8 QG2 THR 25 - HA ARG 23 far 9 58 15 - 4.0-6.9 QG2 THR 18 - HA LYS 31 far 5 100 5 - 4.4-19.8 HG12 ILE 32 - HA LYS 26 far 0 94 0 - 5.5-12.1 QG2 THR 18 - HA ARG 23 far 0 63 0 - 5.5-10.5 QG2 THR 25 - HA LYS 19 far 0 97 0 - 6.2-14.4 HG12 ILE 32 - HA LYS 19 far 0 96 0 - 6.6-20.9 HG12 ILE 32 - HA ARG 23 far 0 57 0 - 6.7-17.3 HG12 ILE 32 - HA LYS 36 far 0 48 0 - 6.8-11.2 QG2 THR 25 - HA LYS 36 far 0 49 0 - 7.2-17.8 QG2 THR 18 - HA LYS 26 far 0 100 0 - 7.4-15.1 QG2 THR 25 - HA LYS 31 far 0 96 0 - 7.5-15.1 QB ALA 41 - HA LYS 31 far 0 97 0 - 9.4-14.2 HG3 LYS 39 - HA LYS 36 far 0 53 0 - 9.8-13.1 Violated in 1 structures by 0.01 A. Peak 11872 from aliabs.peaks (0.90, 4.27, 56.26 ppm; 4.55 A): 3 out of 19 assignments used, quality = 0.99: QG1 VAL 20 + HA LYS 19 OK 96 96 100 100 4.1-5.1 348/6160=79...(18) QG2 VAL 20 + HA ARG 23 OK 42 63 70 96 2.2-5.7 6201/2.9=36, ~11783=30...(17) QD1 LEU 22 + HA ARG 23 OK 41 59 70 100 4.0-6.9 10733/6212=42, ~6200=41...(21) QD1 LEU 22 - HA LYS 19 far 15 98 15 - 3.9-10.2 QD1 LEU 22 - HA LYS 31 far 15 98 15 - 4.6-21.1 QD1 LEU 22 - HA LYS 26 far 15 97 15 - 4.5-11.5 QG1 VAL 20 - HA ARG 23 poor 14 57 25 - 4.0-6.6 QG2 VAL 20 - HA LYS 19 far 10 100 10 - 4.9-6.1 QG2 VAL 20 - HA LYS 31 far 5 100 5 - 4.8-17.6 QG1 VAL 20 - HA LYS 31 far 5 95 5 - 4.6-17.6 QG1 VAL 20 - HA LYS 26 far 0 94 0 - 6.0-13.2 QG2 VAL 20 - HA LYS 36 far 0 53 0 - 6.1-23.5 QG2 VAL 20 - HA LYS 26 far 0 99 0 - 6.2-11.8 QG1 VAL 20 - HA LYS 36 far 0 48 0 - 7.2-24.0 QD1 LEU 48 - HA LYS 36 far 0 47 0 - 8.1-16.2 QD1 LEU 48 - HA LYS 26 far 0 93 0 - 8.2-28.6 QD2 LEU 48 - HA LYS 26 far 0 100 0 - 9.4-30.8 QD1 LEU 48 - HA ARG 23 far 0 55 0 - 9.6-28.8 QD1 LEU 49 - HA LYS 36 far 0 43 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 11873 from aliabs.peaks (2.95, 4.27, 56.26 ppm; 4.08 A): 6 out of 41 assignments used, quality = 0.97: HE3 LYS 19 + HA LYS 19 OK 58 100 65 90 4.2-6.1 6.4=26, 3.8/627=21...(35) HE2 LYS 31 + HA LYS 31 OK 53 99 60 90 2.0-6.1 6.5=25, 3.7/822=24...(27) HE3 LYS 26 + HA LYS 26 OK 48 96 60 84 3.2-6.0 6.6=24, 3.6/627=22...(22) HE3 LYS 31 + HA LYS 31 OK 45 100 50 90 2.6-6.0 6.5=25, 3.7/822=24...(27) HE2 LYS 26 + HA LYS 26 OK 33 98 40 84 2.8-6.5 6.6=24, 3.6/627=22...(23) HE2 LYS 19 + HA LYS 19 OK 27 100 30 90 4.1-6.6 6.4=26, 3.8/627=21...(35) HE2 LYS 24 - HA ARG 23 far 9 63 15 - 4.5-9.3 HE3 LYS 24 - HA ARG 23 far 6 62 10 - 4.1-9.5 HE2 LYS 26 - HA ARG 23 far 6 61 10 - 3.6-11.8 HE3 LYS 36 - HA LYS 36 far 5 51 10 - 4.7-6.5 HE2 LYS 24 - HA LYS 19 far 5 100 5 - 3.8-14.9 HE3 LYS 31 - HA LYS 19 far 5 100 5 - 3.8-22.2 HE3 LYS 24 - HA LYS 19 far 5 100 5 - 4.4-14.4 HE2 LYS 31 - HA LYS 19 far 5 99 5 - 4.9-21.3 HE3 LYS 26 - HA LYS 31 far 5 97 5 - 4.7-17.0 HE2 LYS 31 - HA ARG 23 far 3 61 5 - 4.9-18.7 HE3 LYS 26 - HA ARG 23 far 3 59 5 - 3.1-11.4 HE3 LYS 31 - HA ARG 23 far 0 63 0 - 5.5-19.0 HE2 LYS 36 - HA LYS 36 far 0 51 0 - 5.6-6.5 HE3 LYS 19 - HA LYS 31 far 0 100 0 - 6.1-21.9 HE2 LYS 26 - HA LYS 31 far 0 99 0 - 6.2-16.8 HB2 CYS 45 - HA LYS 36 far 0 42 0 - 6.4-13.8 HE2 LYS 31 - HA LYS 26 far 0 98 0 - 6.5-14.4 HE2 LYS 19 - HA LYS 31 far 0 100 0 - 6.8-21.9 HE3 LYS 24 - HA LYS 26 far 0 99 0 - 7.1-11.8 HE3 LYS 19 - HA ARG 23 far 0 63 0 - 7.3-13.1 HE3 LYS 31 - HA LYS 26 far 0 100 0 - 7.5-13.4 HE2 LYS 36 - HA LYS 31 far 0 98 0 - 8.0-12.2 HE3 LYS 31 - HA LYS 36 far 0 54 0 - 8.1-14.2 HE2 LYS 19 - HA LYS 26 far 0 99 0 - 8.3-17.6 HE2 LYS 19 - HA ARG 23 far 0 63 0 - 8.3-12.3 HE3 LYS 26 - HA LYS 36 far 0 50 0 - 8.3-21.5 HE2 LYS 24 - HA LYS 26 far 0 100 0 - 8.5-12.2 HE2 LYS 26 - HA LYS 19 far 0 99 0 - 8.6-20.6 HE3 LYS 36 - HA LYS 31 far 0 98 0 - 8.7-12.9 HE3 LYS 24 - HA LYS 31 far 0 99 0 - 8.7-23.8 HE3 LYS 19 - HA LYS 26 far 0 99 0 - 8.7-18.1 HE2 LYS 26 - HA LYS 36 far 0 52 0 - 8.7-21.8 HE2 LYS 24 - HA LYS 31 far 0 100 0 - 9.1-23.8 HE2 LYS 31 - HA LYS 36 far 0 52 0 - 9.3-14.1 HE3 LYS 39 - HA LYS 36 far 0 34 0 - 9.4-15.7 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 = 0.83: HA SER 50 + QD1 LEU 123 OK 83 97 95 90 1.9-4.2 11636/2.1=43...(20) HB3 SER 124 - QD1 LEU 123 poor 20 68 40 73 3.1-4.5 4.0/7767=25, 10372=25...(15) HA THR 65 - QD1 LEU 48 poor 17 42 40 - 3.8-5.4 HA GLN 127 - QD1 LEU 123 far 0 87 0 - 4.1-5.6 HB2 SER 124 - QD1 LEU 123 far 0 100 0 - 4.3-5.4 HB3 SER 51 - QD1 LEU 48 far 0 51 0 - 5.1-7.0 HA SER 50 - QD1 LEU 48 far 0 48 0 - 6.1-8.7 HB3 SER 51 - QD1 LEU 123 far 0 100 0 - 6.2-8.7 HA GLN 68 - QD1 LEU 48 far 0 42 0 - 7.0-9.0 HA GLN 127 - QD1 LEU 48 far 0 40 0 - 7.9-11.1 HB3 SER 99 - QD1 LEU 123 far 0 97 0 - 8.0-9.9 HA SER 60 - QD1 LEU 48 far 0 33 0 - 9.4-12.4 HA LEU 100 - QD1 LEU 123 far 0 78 0 - 9.5-11.5 Violated in 7 structures by 0.17 A. Peak 11875 from aliabs.peaks (1.19, 3.06, 41.48 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 77 + HE2 LYS 86 OK 100 100 100 100 1.9-4.3 11196=100, 9660/1.8=71...(21) HG12 ILE 80 - HE2 LYS 86 far 0 73 0 - 4.9-8.3 Violated in 1 structures by 0.02 A. Peak 11876 from aliabs.peaks (1.06, 3.06, 41.48 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.90: QG1 VAL 77 + HE2 LYS 86 OK 90 100 90 100 1.9-6.6 11201=98, 2.1/11196=81...(20) QG2 VAL 133 - HE2 LYS 86 far 0 92 0 - 7.6-12.0 Violated in 4 structures by 0.19 A. Peak 11877 from aliabs.peaks (0.82, 3.06, 41.48 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + HE2 LYS 86 OK 100 100 100 100 2.1-5.3 11243=95, 3.1/11220=54...(32) HG13 ILE 80 - HE2 LYS 86 far 15 99 15 - 4.4-7.4 QG1 VAL 133 - HE2 LYS 86 far 0 83 0 - 6.9-10.2 QG2 ILE 129 - HE2 LYS 86 far 0 100 0 - 8.2-10.1 QD1 LEU 70 - HE2 LYS 86 far 0 99 0 - 9.8-15.4 Violated in 14 structures by 0.31 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 3.8-5.6 11220=100, 11221/1.8=82...(37) QG2 VAL 93 - HE2 LYS 86 far 0 73 0 - 7.3-10.2 Violated in 3 structures by 0.09 A. Peak 11879 from aliabs.peaks (1.75, 3.89, 60.61 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.96: HB ILE 80 + HA LYS 86 OK 90 90 100 100 3.0-4.0 3.2/9727=80, 9729=78...(32) HG3 ARG 90 + HA LYS 86 OK 59 93 65 98 4.2-6.2 11303/11193=57...(20) HG13 ILE 129 - HA LYS 86 far 0 99 0 - 7.7-11.1 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 = 0.93: H SER 99 + HA LEU 100 OK 93 96 100 98 5.0-5.5 7407/3.6=70, ~7398=51...(11) H LEU 123 - HA LEU 100 far 0 96 0 - 6.8-9.0 H VAL 126 - HA LEU 100 far 0 100 0 - 8.0-10.1 H LEU 96 - HA LEU 100 far 0 100 0 - 8.3-9.5 H LEU 69 - HA LEU 100 far 0 85 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 11881 from aliabs.peaks (1.58, 0.68, 23.19 ppm; 3.82 A): 5 out of 14 assignments used, quality = 0.95: HB2 LEU 103 + QD2 LEU 100 OK 61 79 85 91 2.7-5.1 11509/9386=30...(19) HG LEU 122 + QD2 LEU 100 OK 50 64 80 98 2.2-5.4 ~9487=25, 2.1/11387=24...(33) HB2 LEU 122 + QD2 LEU 100 OK 38 56 70 97 3.6-5.9 3.1/11387=20...(36) HG LEU 49 + QD2 LEU 62 OK 37 95 55 72 3.5-6.2 10992/9432=36...(9) HG LEU 103 + QD2 LEU 100 OK 28 50 75 75 3.2-5.2 3.0/3261=18...(17) HG LEU 122 - QD2 LEU 62 far 4 85 5 - 4.3-7.1 HG LEU 103 - QD2 LEU 62 far 3 68 5 - 4.3-7.6 HG LEU 123 - QD2 LEU 62 far 0 85 0 - 4.7-7.9 HB2 LEU 122 - QD2 LEU 62 far 0 76 0 - 4.8-7.3 HG LEU 49 - QD2 LEU 100 far 0 74 0 - 4.9-8.6 HG LEU 70 - QD2 LEU 100 far 0 50 0 - 5.1-6.4 HB2 LEU 103 - QD2 LEU 62 far 0 99 0 - 5.7-8.4 HG LEU 123 - QD2 LEU 100 far 0 64 0 - 8.6-10.7 HG LEU 70 - QD2 LEU 62 far 0 68 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11882 from aliabs.peaks (1.58, 0.60, 25.59 ppm; 4.60 A): 4 out of 7 assignments used, quality = 0.95: HG LEU 70 + QD1 LEU 100 OK 60 60 100 100 2.6-4.4 2.1/11115=94...(18) HG LEU 122 + QD1 LEU 100 OK 59 78 75 100 3.0-6.7 2.1/9487=47...(32) HB2 LEU 122 + QD1 LEU 100 OK 47 68 70 100 2.3-6.8 3.1/9487=41...(38) HB2 LEU 103 + QD1 LEU 100 OK 39 100 40 98 5.0-7.4 3370/3266=41...(21) HG LEU 49 - QD1 LEU 100 far 15 97 15 - 4.8-8.7 HG LEU 103 - QD1 LEU 100 far 4 76 5 - 4.1-7.9 HG LEU 123 - QD1 LEU 100 far 0 90 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 11883 from aliabs.peaks (4.45, 1.39, 19.10 ppm; 3.48 A): 1 out of 13 assignments used, quality = 0.58: HA SER 106 + QB ALA 108 OK 58 91 70 90 3.2-6.6 11532=45, 7546/10101=35...(11) HA PRO 58 - QB ALA 110 far 15 97 15 - 3.9-10.4 HA SER 106 - QB ALA 109 far 5 99 5 - 3.3-8.8 HA SER 106 - QB ALA 110 far 5 96 5 - 4.1-11.0 HA PRO 58 - QB ALA 108 far 0 93 0 - 4.4-10.4 HA PRO 58 - QB ALA 109 far 0 100 0 - 4.8-9.9 HA ASP 64 - QB ALA 29 far 0 91 0 - 5.4-21.7 HA ASP 64 - QB ALA 28 far 0 99 0 - 6.6-23.2 HA ASP 64 - QB ALA 15 far 0 97 0 - 7.1-32.7 HA ASP 64 - QB ALA 16 far 0 99 0 - 8.5-33.4 HA ASP 64 - QB ALA 110 far 0 98 0 - 9.2-16.4 HA ASN 120 - QB ALA 109 far 0 68 0 - 9.9-14.3 HA ASP 64 - QB ALA 108 far 0 94 0 - 9.9-15.4 Violated in 15 structures by 0.73 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 3.3-4.9 10639=90, 1.8/10638=80...(19) HB2 ARG 84 - HA VAL 132 far 0 100 0 - 7.4-10.6 HB2 LYS 86 - HA VAL 132 far 0 89 0 - 9.4-10.4 Violated in 1 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 2.0-4.5 10638=97, 1.8/11884=80...(21) HB3 ARG 84 - HA VAL 132 far 0 99 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 11886 from aliabs.peaks (1.13, 2.19, 31.57 ppm; 4.40 A): 3 out of 4 assignments used, quality = 1.00: HG2 LYS 39 + HB VAL 133 OK 99 100 100 99 3.4-4.6 ~10567=49, ~11767=42...(23) HG3 LYS 39 + HB VAL 133 OK 65 65 100 99 3.1-5.1 ~11767=42, ~11671=39...(21) QG1 VAL 132 + HB VAL 133 OK 35 99 35 100 4.8-6.1 10538/3.0=69...(24) QG2 VAL 132 - HB VAL 133 far 0 99 0 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 11887 from aliabs.peaks (1.14, 3.77, 64.98 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.98: QG1 VAL 132 + HA VAL 133 OK 95 95 100 100 3.3-4.4 10538=87, 11738/9726=53...(35) HG2 LYS 39 + HA VAL 133 OK 57 99 60 96 4.4-6.9 ~10567=32, 11886/3.0=27...(22) HG3 LYS 39 - HA VAL 133 poor 20 83 25 96 4.8-7.0 10567/3.2=32, ~11767=27...(20) QG2 VAL 132 - HA VAL 133 far 0 100 0 - 5.1-5.4 Violated in 1 structures by 0.00 A. Peak 11888 from aliabs.peaks (6.47, 1.55, 27.60 ppm; 6.27 A): 1 out of 1 assignment used, quality = 0.25: QE TYR 76 + HG13 ILE 37 OK 25 99 25 100 6.4-9.0 ~10841=82, ~9019=81...(9) Violated in 20 structures by 1.46 A. Peak 11889 from aliabs.peaks (6.80, 1.55, 27.60 ppm; 6.49 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 72 + HG13 ILE 37 OK 100 100 100 100 4.4-6.5 10840/2.1=99...(18) 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 2.5-3.5 2.2/9110=76...(17) 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 1.8-3.1 11890/2.1=64...(19) 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 4.5-5.2 2.2/11890=100...(11) 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 2 assignments used, quality = 1.00: QE TYR 72 + QD1 LEU 42 OK 100 100 100 100 4.1-6.0 2.2/9111=97...(20) HE21 GLN 68 - QD1 LEU 42 far 5 90 5 - 6.8-9.8 Violated in 1 structures by 0.01 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 4.1-5.0 4251/10587=87...(12) H ASP 71 - QD2 LEU 42 far 0 100 0 - 7.5-8.4 H GLU 91 - QD2 LEU 42 far 0 97 0 - 8.9-10.0 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 3.3-5.4 2.2/9113=93, 11131=74...(12) HE21 GLN 68 - HA LEU 42 far 5 90 5 - 6.3-10.6 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 = 1.00: HA GLU 40 + QD1 LEU 43 OK 99 99 100 100 2.3-4.4 9055=94, 9055/2.1=65...(19) HB2 SER 130 + QD1 LEU 43 OK 81 85 95 100 3.1-5.5 11805/2.1=84, ~10509=56...(21) HD2 PRO 81 - QD1 LEU 43 far 0 93 0 - 6.8-10.2 HB2 SER 50 - QD1 LEU 43 far 0 93 0 - 8.7-11.4 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 poor 14 68 20 - 4.2-5.8 HD2 PRO 81 - QD2 LEU 43 far 0 100 0 - 6.1-11.1 HB3 SER 50 - QD2 LEU 43 far 0 76 0 - 7.3-10.2 HA LEU 70 - QD2 LEU 43 far 0 71 0 - 8.9-11.0 HA LEU 123 - QD2 LEU 43 far 0 100 0 - 9.5-11.0 Violated in 20 structures by 1.05 A. Peak 11898 from aliabs.peaks (4.04, 0.68, 25.73 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 44 + QD1 LEU 43 OK 99 99 100 100 5.6-5.9 11900/2.1=83...(12) HD3 PRO 81 - QD1 LEU 43 far 10 100 10 - 6.0-10.5 HA ARG 135 - QD1 LEU 43 far 0 87 0 - 6.5-8.4 HA ILE 37 - QD1 LEU 43 far 0 92 0 - 8.6-10.0 Violated in 20 structures by 0.26 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 2.3-4.6 11682/2.1=72...(18) HA ASP 47 - QD1 LEU 43 far 0 78 0 - 6.6-8.1 HA CYS 73 - QD1 LEU 43 far 0 87 0 - 8.5-10.5 HA LEU 69 - QD1 LEU 43 far 0 97 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 11900 from aliabs.peaks (4.03, 0.74, 22.24 ppm; 5.03 A): 1 out of 5 assignments used, quality = 0.89: HA GLU 44 + QD2 LEU 43 OK 89 93 95 100 5.4-5.9 2.8/1390=80...(13) HD3 PRO 81 - QD2 LEU 43 far 5 98 5 - 5.8-11.7 HA ARG 135 - QD2 LEU 43 far 0 97 0 - 6.8-8.0 HB2 SER 38 - QD2 LEU 43 far 0 73 0 - 7.0-9.2 HA ILE 37 - QD2 LEU 43 far 0 99 0 - 7.5-9.9 Violated in 20 structures by 0.72 A. Peak 11901 from aliabs.peaks (1.17, 0.68, 25.73 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.98: HG3 LYS 39 + QD1 LEU 43 OK 98 100 100 98 1.9-3.5 11073/2.1=42...(33) QB ALA 41 - QD1 LEU 43 far 0 97 0 - 5.8-6.9 QG2 VAL 132 - QD1 LEU 43 far 0 68 0 - 6.6-7.7 QG2 VAL 77 - QD1 LEU 43 far 0 83 0 - 9.3-10.7 QG2 THR 25 - QD1 LEU 43 far 0 97 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 11902 from aliabs.peaks (1.06, 0.68, 25.73 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 133 + QD1 LEU 43 OK 92 92 100 100 1.9-4.2 2.1/11677=82...(32) Violated in 5 structures by 0.03 A. Peak 11903 from aliabs.peaks (1.37, 0.68, 25.73 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.98: HB2 LEU 42 + QD1 LEU 43 OK 98 100 100 98 4.4-4.7 6500/6509=49, ~9129=44...(12) HG2 LYS 36 - QD1 LEU 43 far 0 99 0 - 9.2-13.6 Violated in 20 structures by 0.31 A. Peak 11904 from aliabs.peaks (4.13, 2.04, 30.10 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.99: HA ALA 52 + HB3 GLU 55 OK 99 100 100 99 2.6-5.3 9238/1.8=90...(8) HA3 GLY 114 - HB3 GLU 55 far 0 98 0 - 7.3-16.1 HA LEU 49 - HB3 GLU 55 far 0 71 0 - 7.6-10.2 Violated in 1 structures by 0.03 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 3.8-4.8 9238=96, 11904/1.8=78...(12) HA3 GLY 114 - HB2 GLU 55 far 0 97 0 - 7.2-15.7 HA LEU 49 - HB2 GLU 55 far 0 65 0 - 9.0-10.2 Violated in 5 structures by 0.02 A. Peak 11906 from aliabs.peaks (1.50, 0.91, 26.02 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.89: QB ALA 52 + QD1 LEU 62 OK 79 85 95 98 3.1-5.1 10996/2.1=75, ~9230=38...(10) HB2 LEU 53 + QD1 LEU 62 OK 45 76 60 99 3.4-6.4 3.0/11727=42, ~10338=41...(16) HB2 LEU 49 - QD1 LEU 62 far 0 100 0 - 5.1-9.2 HG LEU 69 - QD1 LEU 62 far 0 89 0 - 8.7-11.7 Violated in 3 structures by 0.07 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 91 96 100 95 3.2-4.5 9155=53, 1437/10991=32...(15) HA LEU 49 + QG2 THR 65 OK 84 85 100 99 2.0-3.4 2.9/11703=47...(19) HA LEU 48 + QG2 THR 65 OK 37 68 55 98 4.1-5.3 3.0/10991=49...(17) HA ALA 52 - QG2 THR 65 far 0 100 0 - 5.5-7.4 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 3 assignments used, quality = 0.97: HA TYR 76 + HB2 CYS 79 OK 95 96 100 100 3.8-4.2 4.7/9706=78...(9) HA PRO 81 + HB2 CYS 79 OK 39 99 100 39 6.1-6.9 4.9/2427=38 HA2 GLY 75 - HB2 CYS 79 far 5 99 5 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 11911 from aliabs.peaks (4.33, 2.60, 26.84 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.75: HA TYR 76 + HB3 CYS 79 OK 68 71 100 96 2.2-2.7 9736/11213=47...(9) HA2 GLY 75 + HB3 CYS 79 OK 23 99 75 32 5.8-6.7 11162/7065=24, 10919/10824=9 HA PRO 81 - HB3 CYS 79 far 0 100 0 - 7.2-7.7 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 3.4-4.0 1.8/11913=78...(14) HB2 GLU 128 - HA ALA 88 far 0 99 0 - 6.6-9.2 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 1 assignment used, quality = 0.97: HG2 GLU 91 + HA ALA 88 OK 97 97 100 100 1.9-2.9 1.8/11912=77...(16) Violated in 0 structures by 0.00 A. Peak 11914 from aliabs.peaks (0.75, 1.43, 18.11 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: HG12 ILE 129 + QB ALA 92 OK 99 99 100 100 1.9-4.0 2.1/10491=75...(21) QD2 LEU 96 + QB ALA 92 OK 74 100 80 93 3.8-4.7 4164/10491=32...(19) QG1 VAL 93 - QB ALA 92 far 0 100 0 - 5.0-5.1 QD1 LEU 96 - QB ALA 92 far 0 83 0 - 5.4-6.3 QD2 LEU 43 - QB ALA 92 far 0 98 0 - 7.3-8.0 QD2 LEU 103 - QB ALA 92 far 0 83 0 - 10.0-12.6 Violated in 5 structures by 0.02 A. Peak 11915 from aliabs.peaks (0.84, 2.24, 40.82 ppm; 5.41 A): 2 out of 5 assignments used, quality = 0.99: QD2 LEU 70 + HB3 LEU 96 OK 93 93 100 100 4.0-5.1 11916/1.8=98...(23) QG2 ILE 129 + HB3 LEU 96 OK 80 85 95 100 4.9-6.9 3.0/11454=71, 9714=41...(21) QD2 LEU 69 - HB3 LEU 96 poor 19 76 25 - 5.3-7.2 QD1 LEU 98 - HB3 LEU 96 far 0 90 0 - 6.8-8.7 QG1 VAL 133 - HB3 LEU 96 far 0 100 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 11916 from aliabs.peaks (0.85, 1.38, 40.82 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.91: QD2 LEU 70 + HB2 LEU 96 OK 91 97 95 99 3.8-5.3 11083/3.8=52...(23) QD2 LEU 69 - HB2 LEU 96 far 12 83 15 - 4.6-7.0 QG2 ILE 129 - HB2 LEU 96 far 4 78 5 - 4.8-7.0 QD1 LEU 98 - HB2 LEU 96 far 0 95 0 - 6.6-8.8 QG1 VAL 133 - HB2 LEU 96 far 0 99 0 - 9.1-12.4 Violated in 13 structures by 0.13 A. Peak 11917 from aliabs.peaks (0.84, 1.40, 27.00 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.96: QD2 LEU 70 + HG LEU 96 OK 89 89 100 100 1.9-2.9 2.1/9488=62...(24) QD1 LEU 70 + HG LEU 96 OK 62 63 100 99 3.5-4.8 2.1/11106=53...(26) QD2 LEU 69 - HG LEU 96 far 7 68 10 - 4.4-6.8 QG2 ILE 129 - HG LEU 96 far 0 90 0 - 5.3-7.2 QD1 LEU 98 - HG LEU 96 far 0 85 0 - 6.1-7.8 QG1 VAL 133 - HG LEU 96 far 0 100 0 - 9.3-12.5 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 2.5-5.4 11488/3.7=63...(36) Violated in 7 structures by 0.13 A. Peak 11919 from aliabs.peaks (0.67, 1.40, 27.00 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.94: QD1 ILE 129 + HG LEU 96 OK 90 90 100 100 4.1-5.0 9982/5.0=50...(32) QD2 LEU 100 + HG LEU 96 OK 33 96 35 99 5.0-7.1 2.1/11918=82, ~11388=28...(24) QD2 LEU 62 - HG LEU 96 far 0 97 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 11920 from aliabs.peaks (3.23, 2.24, 40.82 ppm; 6.10 A): 2 out of 2 assignments used, quality = 0.87: HB3 CYS 125 + HB3 LEU 96 OK 65 65 100 100 2.0-4.1 1.8/11655=100, ~9986=79...(32) HA VAL 93 + HB3 LEU 96 OK 63 63 100 100 2.2-3.9 3.6/9226=68, ~9974=65...(39) Violated in 0 structures by 0.00 A. Peak 11921 from aliabs.peaks (3.18, 1.40, 27.00 ppm; 6.41 A): 1 out of 2 assignments used, quality = 0.89: HB3 CYS 125 + HG LEU 96 OK 89 89 100 100 4.5-5.6 ~9986=94, ~9986=91...(26) HD3 ARG 90 - HG LEU 96 far 0 81 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 11922 from aliabs.peaks (0.85, 1.49, 28.46 ppm; 4.93 A): 3 out of 5 assignments used, quality = 1.00: QG1 VAL 133 + HG LEU 42 OK 99 99 100 100 4.0-5.6 10585/2.1=96...(26) QD2 LEU 69 + HG LEU 42 OK 79 83 95 100 3.2-6.0 2.1/9078=86, ~11039=74...(21) QG2 ILE 129 + HG LEU 42 OK 77 78 100 98 3.1-4.4 10486/2.1=68, ~9086=58...(11) QD2 LEU 70 - HG LEU 42 far 0 97 0 - 6.7-8.9 QG2 ILE 32 - HG LEU 42 far 0 99 0 - 8.6-14.5 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 3 assignments used, quality = 0.00: QB ALA 109 - QG2 VAL 57 far 0 85 0 - 7.2-11.3 QB ALA 110 - QG2 VAL 57 far 0 93 0 - 7.2-12.0 QB ALA 108 - QG2 VAL 57 far 0 97 0 - 7.3-12.2 Violated in 20 structures by 3.42 A. Peak 11924 from aliabs.peaks (1.36, 0.94, 21.27 ppm; 3.72 A): 0 out of 13 assignments used, quality = 0.00: QB ALA 108 - QG1 VAL 105 far 5 52 10 - 3.6-8.4 QB ALA 12 - QG1 VAL 105 far 3 67 5 - 4.6-35.3 HB3 LEU 100 - QG1 VAL 105 far 0 60 0 - 6.1-9.0 QB ALA 110 - QG1 VAL 105 far 0 47 0 - 7.0-12.0 QB ALA 110 - QG1 VAL 57 far 0 81 0 - 7.1-12.9 QB ALA 109 - QG1 VAL 105 far 0 38 0 - 7.1-10.7 QB ALA 108 - QG1 VAL 57 far 0 87 0 - 8.0-12.7 QB ALA 109 - QG1 VAL 57 far 0 68 0 - 8.4-12.4 QB ALA 21 - QG1 VAL 105 far 0 56 0 - 8.9-31.5 QB ALA 29 - QG1 VAL 57 far 0 89 0 - 9.5-25.6 HG3 LYS 26 - QG1 VAL 57 far 0 83 0 - 9.5-36.9 QB ALA 28 - QG1 VAL 57 far 0 76 0 - 9.6-26.2 HG2 LYS 24 - QG1 VAL 57 far 0 92 0 - 9.7-37.3 Violated in 18 structures by 1.89 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 3.2-5.7 6983/6978=75...(9) HD2 HIS 67 - HB2 ASP 71 poor 7 89 30 26 5.1-9.3 11927/3.0=15, 11926/1.8=12 Violated in 3 structures by 0.04 A. Peak 11926 from aliabs.peaks (7.13, 2.81, 39.26 ppm; 6.27 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 72 + HB3 ASP 71 OK 100 100 100 100 3.2-5.4 11128=100, 6983/6979=93...(10) HD2 HIS 67 + HB3 ASP 71 OK 26 65 60 66 5.5-9.9 11096/9511=50...(5) Violated in 0 structures by 0.00 A. Peak 11927 from aliabs.peaks (7.14, 4.42, 57.33 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 72 + HA ASP 71 OK 98 98 100 100 4.9-5.8 6983/3.6=97...(7) HD2 HIS 67 + HA ASP 71 OK 43 89 55 87 5.9-9.0 11096/11115=65...(6) Violated in 0 structures by 0.00 A. Peak 11928 from aliabs.peaks (2.19, 2.61, 39.26 ppm; 5.10 A): 2 out of 5 assignments used, quality = 0.79: HB3 GLN 68 + HB2 ASP 71 OK 61 93 65 100 4.2-7.0 3.0/2128=86, ~2129=64...(16) HB2 GLN 68 + HB2 ASP 71 OK 48 73 65 100 5.0-6.9 3.0/2128=86, ~2129=64...(14) HG2 GLN 68 - HB2 ASP 71 poor 16 81 20 - 5.0-7.6 HB3 GLU 97 - HB2 ASP 71 far 0 71 0 - 7.9-10.9 HB3 GLN 104 - HB2 ASP 71 far 0 60 0 - 9.7-14.7 Violated in 9 structures by 0.14 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 4.0-6.7 9576/2.9=84, ~9575=69...(10) QG2 VAL 93 - HA PHE 87 far 0 98 0 - 7.4-8.2 Violated in 1 structures by 0.04 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 - 8.3-10.9 QG1 VAL 77 - HA ALA 88 far 0 89 0 - 8.4-10.0 Violated in 20 structures by 3.41 A. Peak 11931 from aliabs.peaks (1.17, 1.74, 27.95 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.83: QG2 VAL 77 + HG3 ARG 90 OK 83 83 100 100 1.9-3.2 2.1/9651=77, 9662/1.8=69...(32) QG2 VAL 132 - HG3 ARG 90 far 0 68 0 - 6.7-8.5 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 2.1-4.8 9651=91, 9652/1.8=89...(32) QG2 VAL 133 - HG3 ARG 90 far 0 85 0 - 6.9-10.9 Violated in 1 structures by 0.02 A. Peak 11933 from aliabs.peaks (0.29, 1.74, 27.95 ppm; 5.78 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG3 ARG 90 OK 100 100 100 100 3.6-5.8 9953/2788=91...(13) QD1 ILE 80 + HG3 ARG 90 OK 81 81 100 100 4.2-6.0 11934/3.0=86...(14) Violated in 0 structures by 0.00 A. Peak 11934 from aliabs.peaks (0.29, 3.17, 43.17 ppm; 4.85 A): 1 out of 4 assignments used, quality = 0.43: QD1 ILE 80 + HD2 ARG 90 OK 43 81 55 97 5.0-7.3 11219=67, 11226/3.0=53...(10) QG2 VAL 93 - HD2 ARG 90 far 15 100 15 - 4.1-7.3 QG2 VAL 93 - HD3 ARG 90 far 15 100 15 - 2.6-7.0 QD1 ILE 80 - HD3 ARG 90 far 4 80 5 - 4.9-7.1 Violated in 20 structures by 0.98 A. Peak 11935 from aliabs.peaks (1.18, 2.02, 27.95 ppm; 3.78 A): 3 out of 8 assignments used, quality = 1.00: QG2 VAL 77 + HG2 ARG 90 OK 100 100 100 100 1.8-2.1 9662=93, 11303/1.8=63...(30) QB ALA 41 + HB3 GLU 40 OK 66 83 80 100 3.6-5.4 10857=65, 3.0/6471=56...(21) QB ALA 41 + HB2 GLU 44 OK 26 65 40 100 3.9-5.7 ~1409=47, ~1409=42...(19) QG2 THR 25 - HG2 PRO 58 far 5 92 5 - 4.3-35.6 HG3 LYS 39 - HB3 GLU 40 far 0 63 0 - 5.3-7.3 QG2 THR 25 - HB2 GLU 44 far 0 65 0 - 5.9-27.7 HG3 LYS 39 - HB2 GLU 44 far 0 48 0 - 8.3-10.4 QG2 THR 25 - HB3 GLU 40 far 0 84 0 - 9.9-25.0 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 2.3-4.3 9652=96, 9651/1.8=95...(28) QG2 VAL 133 - HB3 GLU 40 far 0 63 0 - 6.6-9.2 QG2 VAL 133 - HG2 ARG 90 far 0 83 0 - 7.6-10.5 QG2 VAL 133 - HB2 GLU 44 far 0 48 0 - 7.9-9.9 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 8 assignments used, quality = 0.99: QG1 VAL 93 + HG2 GLU 97 OK 91 92 100 99 2.2-4.9 9972/1.8=68...(19) QD2 LEU 96 + HG2 GLU 97 OK 68 90 75 100 3.2-6.1 11809/3.8=45...(31) QD1 LEU 96 + HG2 GLU 97 OK 54 99 55 100 3.2-5.9 11451/3134=36, ~11461=35...(31) QD2 LEU 122 - HG2 GLU 97 far 0 81 0 - 5.4-8.1 QG1 VAL 63 - HG2 GLU 97 far 0 89 0 - 7.4-11.1 HG12 ILE 129 - HG2 GLU 97 far 0 85 0 - 7.8-10.7 QD1 LEU 103 - HG2 GLU 97 far 0 90 0 - 8.6-11.5 QD1 LEU 53 - HG2 GLU 97 far 0 63 0 - 9.2-14.9 Violated in 4 structures by 0.02 A. Peak 11938 from aliabs.peaks (0.75, 2.40, 35.20 ppm; 4.43 A): 3 out of 9 assignments used, quality = 1.00: QG1 VAL 93 + HG3 GLU 97 OK 100 100 100 100 2.0-4.4 9972=86, 11322/9486=49...(19) QD2 LEU 96 + HG3 GLU 97 OK 95 100 95 100 3.0-6.1 3098/7348=58...(27) QD1 LEU 96 + HG3 GLU 97 OK 72 85 85 100 3.4-6.1 2.1/10010=43, ~11461=39...(28) QD2 LEU 43 - HG3 GLU 40 far 0 78 0 - 6.0-8.0 QG1 VAL 63 - HG3 GLU 97 far 0 63 0 - 7.8-11.6 QD1 ILE 37 - HG3 GLU 40 far 0 73 0 - 8.0-11.5 HG12 ILE 129 - HG3 GLU 97 far 0 99 0 - 8.1-10.9 QD1 LEU 103 - HG3 GLU 97 far 0 65 0 - 8.4-11.6 QD2 LEU 103 - HG3 GLU 97 far 0 81 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 11939 from aliabs.peaks (2.07, 4.40, 61.45 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.22: HG3 PRO 113 + HA THR 115 OK 22 92 25 94 4.7-7.9 10189/3636=57...(12) HG3 PRO 117 - HA THR 115 poor 16 81 20 - 5.2-8.7 HG2 PRO 117 - HA THR 115 far 0 81 0 - 6.3-8.9 HB VAL 118 - HA THR 115 far 0 99 0 - 8.5-9.2 Violated in 20 structures by 1.76 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 2.1-3.0 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 2 assignments used, quality = 0.98: H VAL 132 + HB VAL 132 OK 98 98 100 100 2.5-3.0 3.8=100 H LEU 100 - HB VAL 105 far 0 57 0 - 9.8-11.0 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 10546/2.1=60...(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 4.0-5.3 10910/2.1=98...(14) HG3 LYS 39 - HB ILE 37 far 0 100 0 - 8.5-10.5 HG2 LYS 39 - HB ILE 37 far 0 65 0 - 8.6-10.4 QG2 VAL 77 - HB ILE 37 far 0 73 0 - 8.8-10.5 QG2 THR 25 - HB ILE 37 far 0 92 0 - 9.7-20.6 Violated in 8 structures by 0.06 A. Peak 11945 from aliabs.peaks (2.25, 3.85, 50.95 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.52: HB2 PRO 81 + HD2 PRO 81 OK 52 52 100 100 3.0-3.9 3.0=100 HB VAL 132 - HD2 PRO 81 far 0 68 0 - 6.1-9.8 HB3 GLU 102 - HD2 PRO 117 far 0 66 0 - 8.2-11.4 HB3 PRO 113 - HD2 PRO 117 far 0 78 0 - 8.5-12.6 Violated in 0 structures by 0.00 A. Peak 11946 from aliabs.peaks (2.26, 4.04, 50.95 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.49: HB2 PRO 81 + HD3 PRO 81 OK 49 49 100 100 3.0-3.9 3.0=100 HB VAL 132 - HD3 PRO 81 far 0 78 0 - 6.5-10.8 Violated in 0 structures by 0.00 A. Peak 11947 from aliabs.peaks (1.93, 4.04, 50.95 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.87: HB3 PRO 81 + HD3 PRO 81 OK 87 87 100 100 3.9-4.0 3.0=100 HB3 LYS 86 - HD3 PRO 81 far 0 76 0 - 6.6-9.4 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: HA LEU 100 + QD1 LEU 103 OK 94 95 100 100 1.9-4.5 3228/3396=78...(22) HB2 SER 106 + QD1 LEU 103 OK 87 92 95 100 4.3-7.8 4.0/11469=74...(20) HB3 SER 107 + QD1 LEU 103 OK 83 99 85 99 2.2-8.2 4.7/11486=84...(17) HD3 PRO 117 + QD1 LEU 103 OK 82 100 85 96 4.7-9.1 11575/10195=69...(10) HB3 SER 106 + QD1 LEU 103 OK 62 63 100 99 3.7-6.5 4.0/11469=74...(22) HD3 PRO 113 - QD1 LEU 103 far 5 92 5 - 6.4-12.5 HA2 GLY 111 - QD1 LEU 103 lone 4 83 55 10 5.4-10.7 10117/11541=5, 10213/3403=1 HA3 GLY 111 - QD1 LEU 103 lone 2 99 30 6 5.0-10.9 10679/11541=2 HA THR 65 - QD1 LEU 103 far 0 85 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 11949 from aliabs.peaks (3.95, 0.73, 25.24 ppm; 6.80 A): 6 out of 9 assignments used, quality = 1.00: HA LEU 100 + QD2 LEU 103 OK 97 97 100 100 1.9-4.7 3228/7477=78...(20) HB2 SER 106 + QD2 LEU 103 OK 85 96 90 98 5.0-8.5 ~10096=53, ~11536=46...(16) HB3 SER 107 + QD2 LEU 103 OK 79 100 90 88 2.6-8.2 11853/11822=37...(12) HB3 SER 106 + QD2 LEU 103 OK 62 71 90 98 3.6-8.4 ~10096=43, 11536/3.1=33...(17) HD3 PRO 117 + QD2 LEU 103 OK 35 100 40 87 5.3-8.8 4.8/11831=77...(5) HA THR 65 + QD2 LEU 103 OK 27 90 40 74 6.8-10.5 4.9/11842=70, 4.9/11842=10 HD3 PRO 113 - QD2 LEU 103 far 4 87 5 - 6.8-12.3 HA2 GLY 111 - QD2 LEU 103 lone 2 76 45 5 4.2-11.4 HA3 GLY 111 - QD2 LEU 103 lone 1 98 30 4 5.4-10.8 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 15 assignments used, quality = 0.98: HB VAL 118 + QD1 LEU 122 OK 93 93 100 100 3.5-6.4 11594/11092=57...(30) HB2 LEU 62 + QD1 LEU 122 OK 70 99 100 70 3.8-6.5 3.0/10994=18...(12) HB2 GLN 127 - QD1 LEU 122 poor 11 100 35 32 6.9-10.6 4.0/3892=26, 10374/11585=6 HG2 PRO 117 - QD1 LEU 122 far 10 100 10 - 7.3-9.7 HG2 ARG 90 - QD1 LEU 70 far 5 53 10 - 7.3-11.4 HB2 GLU 102 - QD1 LEU 122 lone 4 57 40 19 4.7-9.5 3332/11381=9...(4) QE MET 11 - QD1 LEU 70 far 3 65 5 - 6.3-35.6 HB2 GLU 128 - QD1 LEU 122 far 0 60 0 - 8.0-10.7 HB2 GLU 102 - QD1 LEU 70 far 0 50 0 - 8.1-11.2 QE MET 11 - QD1 LEU 122 far 0 73 0 - 8.7-36.5 HG3 PRO 117 - QD1 LEU 122 far 0 100 0 - 8.8-11.1 HB2 LEU 62 - QD1 LEU 70 far 0 93 0 - 9.0-12.4 HG2 PRO 58 - QD1 LEU 122 far 0 71 0 - 9.0-11.5 HB3 GLU 55 - QD1 LEU 122 far 0 97 0 - 9.1-13.2 HB2 GLU 128 - QD1 LEU 70 far 0 53 0 - 9.9-12.2 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 8 assignments used, quality = 1.00: QD2 LEU 100 + HG LEU 122 OK 100 100 100 100 2.2-5.4 ~9487=52, ~9487=43...(36) QD2 LEU 100 + HG LEU 70 OK 97 97 100 100 5.1-6.4 ~11107=99, ~11115=98...(18) QD2 LEU 62 + HG LEU 119 OK 69 69 100 100 3.7-6.4 ~10992=98, ~10951=69...(23) QD2 LEU 62 + HG LEU 122 OK 68 100 100 68 4.3-7.1 ~11951=23, ~11925=22...(9) QD1 ILE 129 - HG LEU 70 poor 16 55 50 58 6.7-9.2 11919/11105=38, 11116/3.7=31 QD1 ILE 129 - HG LEU 122 far 9 60 15 - 6.3-9.0 QD2 LEU 100 - HG LEU 119 lone 2 69 75 4 5.5-8.7 QD2 LEU 62 - HG LEU 70 far 0 97 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11953 from aliabs.peaks (3.44, 1.13, 22.78 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: HA VAL 77 + QG1 VAL 132 OK 100 100 100 100 5.3-7.1 9725/11656=100...(10) HA ILE 129 + QG1 VAL 132 OK 98 98 100 100 4.1-4.9 4213/2.1=98...(29) HA ILE 129 + QG2 VAL 132 OK 68 68 100 100 1.9-3.1 4213/2.1=98...(34) HA VAL 126 + QG2 VAL 132 OK 66 67 100 99 6.4-7.1 10402/10490=92...(8) HA VAL 77 + QG2 VAL 132 OK 40 71 75 75 7.0-7.9 9667/10546=39...(5) HA VAL 126 - QG1 VAL 132 far 0 97 0 - 8.5-9.2 HA LEU 42 - QG2 VAL 132 far 0 46 0 - 9.7-11.0 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 5 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 80 OK 98 98 100 100 4.4-5.2 2.1/9722=100...(31) QG1 VAL 132 + QD1 ILE 80 OK 81 81 100 100 2.6-4.2 2.1/9722=100, 11738=97...(33) HG2 LYS 39 + QD1 ILE 80 OK 74 93 90 89 6.0-8.0 10850/9746=45...(10) HG3 LYS 39 + QD1 ILE 80 OK 72 96 85 88 5.9-8.2 10567/10588=56...(9) QB ALA 41 - QD1 ILE 80 far 0 65 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 11957 from aliabs.peaks (1.15, 0.81, 17.00 ppm; 6.80 A): 6 out of 8 assignments used, quality = 1.00: QG2 VAL 132 + QG2 ILE 80 OK 99 99 100 100 5.6-6.9 ~11738=91, ~11656=91...(31) QG1 VAL 132 + QG2 ILE 80 OK 87 87 100 100 3.4-4.9 11738/3.1=99, ~9722=82...(33) QG2 VAL 132 + QG2 ILE 129 OK 86 86 100 100 3.3-4.1 11737/3.0=99...(31) QG1 VAL 132 + QG2 ILE 129 OK 70 70 100 100 4.4-5.0 ~10490=87, ~11737=87...(28) HG2 LYS 39 + QG2 ILE 80 OK 53 97 75 74 5.6-9.9 10850/9739=45...(7) HG3 LYS 39 + QG2 ILE 129 OK 48 76 80 79 6.4-8.1 10873/10486=72...(3) HG2 LYS 39 - QG2 ILE 129 poor 14 81 35 50 6.7-8.6 10939/10486=35...(4) HG3 LYS 39 - QG2 ILE 80 poor 14 92 30 51 6.6-9.6 11956/3.1=16, ~11956=14...(6) 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 3 assignments used, quality = 0.81: QG2 VAL 77 + HB ILE 80 OK 81 81 100 100 2.9-3.7 3.2/9730=88, ~9648=86...(39) QG2 VAL 132 - HB ILE 80 far 11 71 15 - 7.5-8.2 HG3 LYS 39 - HB ILE 80 far 0 100 0 - 8.1-11.0 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 4.1-6.3 11859/3.0=97, ~9823=96...(30) QG1 VAL 77 - HB3 LYS 19 far 4 76 5 - 7.2-26.7 QG2 VAL 133 - HB2 LYS 86 far 4 76 5 - 7.5-10.9 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 1.9-7.6 11783/6203=98...(16) Violated in 2 structures by 0.06 A. Peak 11961 from aliabs.peaks (3.99, 1.82, 30.64 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.95: HA VAL 20 + HB3 ARG 23 OK 90 100 90 100 3.6-8.9 11783/6204=96...(16) HA ARG 135 + HB3 ARG 135 OK 55 55 100 100 2.3-3.0 3.0=100 HA GLN 68 - HB3 ARG 23 far 0 97 0 - 8.9-31.9 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 8 assignments used, quality = 0.97: QB ALA 21 + HA THR 18 OK 82 100 100 82 1.8-5.6 10670/3.0=45...(5) HG2 LYS 19 + HA THR 18 OK 76 76 100 100 3.3-5.3 4.9/226=98, ~10696=82...(18) HG2 LYS 24 + HA THR 25 OK 39 39 100 100 4.6-6.6 ~6233=86, ~6232=84...(24) QB ALA 12 - HA THR 18 far 10 96 10 - 6.4-15.6 HG2 LYS 24 - HA THR 18 far 9 60 15 - 6.1-13.0 HG2 LYS 19 - HA SER 74 far 2 44 5 - 7.6-32.7 QB ALA 21 - HA THR 25 far 0 77 0 - 8.9-11.5 QB ALA 46 - HA SER 74 far 0 65 0 - 9.9-12.0 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 10 assignments used, quality = 1.00: HB2 LYS 26 + HB THR 25 OK 92 92 100 100 3.7-6.9 4.0/6247=100, ~11150=81...(22) HB2 LYS 24 + HB THR 25 OK 90 90 100 100 3.1-7.1 ~10697=99, 4.7/6241=99...(11) HB2 LYS 19 + HB THR 18 OK 75 75 100 100 4.5-6.2 3.9/6146=97...(22) HB2 ARG 23 - HB THR 18 far 9 87 10 - 7.3-12.7 HB2 ARG 23 - HB THR 25 far 5 99 5 - 6.7-9.9 HB2 LEU 48 - HB THR 25 far 4 85 5 - 7.7-36.9 HB2 LYS 31 - HB THR 25 far 0 89 0 - 8.3-14.8 HB2 LYS 31 - HB THR 18 far 0 75 0 - 8.5-22.1 HB2 LYS 24 - HB THR 18 far 0 77 0 - 8.9-16.1 HB2 LYS 19 - HB THR 25 far 0 89 0 - 9.6-18.5 Violated in 0 structures by 0.00 A. Peak 11966 from aliabs.peaks (0.93, 4.28, 52.57 ppm; 6.80 A): 6 out of 21 assignments used, quality = 1.00: QG2 VAL 112 + HA ALA 110 OK 90 91 100 99 3.4-5.6 11478/3.0=88...(9) QG2 VAL 112 + HA ALA 109 OK 90 90 100 100 2.2-6.5 10118/3.0=98, ~10135=98...(12) QG2 VAL 112 + HA ALA 108 OK 90 94 100 96 5.4-7.5 10118/3.6=95, 11478/3530=4 QG1 VAL 20 + HA ALA 21 OK 43 43 100 100 3.4-5.9 ~6177=92, ~347=91...(13) QG2 VAL 63 + HA ALA 108 OK 35 82 45 94 4.2-9.5 11484/3.0=94 QG1 VAL 20 + HA ALA 16 OK 21 89 75 32 3.2-9.2 10680/4.9=17...(3) QD1 LEU 119 - HA ALA 110 far 12 82 15 - 5.9-11.0 QG1 VAL 105 - HA ALA 108 far 8 54 15 - 6.1-9.9 QD1 LEU 62 - HA ALA 108 far 4 87 5 - 6.5-12.0 QD1 LEU 119 - HA ALA 108 far 4 85 5 - 6.4-11.9 QG1 VAL 20 - HA ALA 12 far 4 79 5 - 6.8-17.4 QG2 VAL 63 - HA ALA 109 far 4 78 5 - 7.6-10.3 QG1 VAL 57 - HA ALA 110 far 4 76 5 - 7.4-15.4 QD1 LEU 119 - HA ALA 109 lone 3 81 25 17 6.9-10.1 ~11541=14 QG1 VAL 105 - HA ALA 12 far 3 54 5 - 6.4-43.5 QG2 VAL 63 - HA ALA 110 lone 1 79 45 4 5.9-10.9 QG1 VAL 20 - HA ALA 15 lone 1 79 35 3 5.3-11.4 QD1 LEU 62 - HA ALA 110 lone 1 83 25 3 6.6-11.7 QG1 VAL 105 - HA ALA 109 far 0 51 0 - 7.8-12.4 QD1 LEU 62 - HA ALA 109 far 0 83 0 - 8.2-11.2 QG1 VAL 105 - HA ALA 110 far 0 52 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 11967 from aliabs.peaks (1.35, 4.26, 54.88 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 21 + HA LEU 22 OK 100 100 100 100 4.3-4.4 6186/2.9=100...(11) HG2 LYS 24 + HA LEU 22 OK 57 71 100 80 2.6-6.1 1309/2.9=30...(13) QB ALA 29 - HA LEU 22 far 0 65 0 - 8.0-17.1 HG2 LYS 19 - HA LEU 22 far 0 85 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 11968 from aliabs.peaks (2.79, 4.36, 64.64 ppm; 3.34 A): 1 out of 6 assignments used, quality = 0.67: HB3 ASN 120 + HA PRO 117 OK 67 89 80 95 3.1-5.6 11625=45, 10301/2.3=38...(12) HB2 TYR 76 - HA CYS 73 poor 18 30 90 69 1.8-4.4 3.8/11789=26...(13) HB2 ASN 120 - HA PRO 117 poor 17 86 20 - 3.3-5.9 HB2 ASN 121 - HA PRO 117 far 0 92 0 - 4.8-8.3 HB3 ASP 71 - HA CYS 73 far 0 44 0 - 7.4-8.8 HB3 ASN 85 - HA CYS 73 far 0 27 0 - 9.6-10.6 Violated in 13 structures by 0.41 A. Average quality of peak assignments : 0.933 Average number of used assignments : 2.083 Average rank of reference assignment: 1.059 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 6.33 A Atom Residue Shift Peaks Used Expect H HIS 5 8.529 14 2 13 HA HIS 5 4.410 24 3 11 Peaks: selected : 13995 in nnoeabs.peaks : 2363 in cnoeabs.peaks : 6029 in aliabs.peaks : 5603 assigned : 13603 unassigned : 392 without assignment possibility : 74 with violation below 0.5 A : 33 with violation between 0.5 and 3.0 A : 216 with violation above 3.0 A : 69 in nnoeabs.peaks : 44 in cnoeabs.peaks : 132 in aliabs.peaks : 216 with diagonal assignment : 1579 Cross peaks: with off-diagonal assignment : 12024 with unique assignment : 6421 with short-range assignment |i-j|<=1: 8748 with medium-range assignment 1<|i-j|<5 : 1962 with long-range assignment |i-j|>=5: 1314 Comparison with reference assignment: Cross peaks with reference assignment : 8311 with identical reference assignment : 4200 with compatible reference assignment : 8019 with incompatible reference assignment : 30 with additional reference assignment : 3 with additional assignment : 3975