Peak 2 from nnoeabs.peaks (4.69, 8.23, 121.29 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 10 + H MET 11 OK 100 100 100 100 2.1-3.6 3.6=100 HA MET 11 + H MET 11 OK 63 63 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3 from nnoeabs.peaks (3.20, 8.23, 121.29 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + H MET 11 OK 100 100 100 100 2.0-4.5 4.4=100 HA VAL 16 - H MET 11 far 7 73 10 - 5.0-8.5 HB2 HIS 13 - H MET 11 far 0 97 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 4 from nnoeabs.peaks (3.11, 8.23, 121.29 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + H MET 11 OK 100 100 100 100 2.0-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 5 from nnoeabs.peaks (2.48, 8.23, 121.29 ppm; 4.57 A): 1 out of 5 assignments used, quality = 0.99: * HG3 MET 11 + H MET 11 OK 99 100 100 99 2.0-4.0 4.8=87, 4728/3.0=79...(4) HG3 GLN 15 - H MET 11 far 0 100 0 - 5.4-6.6 HB2 GLN 15 - H MET 11 far 0 83 0 - 6.5-7.6 HB2 ASN 54 - H MET 11 far 0 98 0 - 8.2-12.1 HG2 GLU 20 - H MET 11 far 0 81 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 7 from nnoeabs.peaks (4.66, 9.36, 119.62 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.90: * HA MET 11 + H SER 12 OK 90 100 90 100 2.2-3.6 3349=100, 3.0/8=42...(4) HA HIS 10 - H SER 12 far 0 63 0 - 4.9-6.7 Violated in 2 structures by 0.01 A. Peak 8 from nnoeabs.peaks (2.00, 9.36, 119.62 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + H SER 12 OK 100 100 100 100 2.2-3.2 3350=97, 3.0/3349=72...(8) HB2 GLU 18 - H SER 12 far 0 100 0 - 7.5-8.7 HD3 ARG 55 - H SER 12 far 0 71 0 - 7.7-11.3 HB3 GLU 18 - H SER 12 far 0 100 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 9 from nnoeabs.peaks (1.83, 9.36, 119.62 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + H SER 12 OK 100 100 100 100 2.2-4.0 4.3=100 HB ILE 17 - H SER 12 far 0 100 0 - 7.9-9.2 HB3 GLN 47 - H SER 12 far 0 98 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 11 from nnoeabs.peaks (4.38, 7.92, 111.33 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 13 + H THR 14 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 12 + H THR 14 OK 70 100 80 88 3.1-4.2 4741=68, 1.8/4743=44...(5) Violated in 0 structures by 0.00 A. Peak 12 from nnoeabs.peaks (3.21, 7.92, 111.33 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.80: * HB2 HIS 13 + H THR 14 OK 80 100 95 85 2.2-3.8 1.8/13=65, 3354=55 HA VAL 16 - H THR 14 far 0 95 0 - 6.7-7.3 HB2 HIS 10 - H THR 14 far 0 97 0 - 7.7-12.5 HD3 ARG 21 - H THR 14 far 0 78 0 - 10.0-12.5 Violated in 1 structures by 0.01 A. Peak 13 from nnoeabs.peaks (3.27, 7.92, 111.33 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.95: * HB3 HIS 13 + H THR 14 OK 95 100 100 95 3.6-4.0 1.8/12=82, 3355=70 Violated in 1 structures by 0.00 A. Peak 15 from nnoeabs.peaks (7.92, 7.51, 120.36 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H THR 14 + H GLN 15 OK 100 100 100 100 2.4-2.7 866=100, 504/3358=55...(8) H LYS 42 - H GLN 15 far 0 95 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 16 from nnoeabs.peaks (3.81, 7.51, 120.36 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + H GLN 15 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLN 15 + H GLN 15 OK 85 85 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 17 from nnoeabs.peaks (4.04, 7.51, 120.36 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 14 + H GLN 15 OK 100 100 100 100 2.5-3.0 3358=100, 504/866=61 Violated in 0 structures by 0.00 A. Peak 18 from nnoeabs.peaks (1.21, 7.51, 120.36 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + H GLN 15 OK 100 100 100 100 3.4-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 19 from nnoeabs.peaks (7.51, 7.83, 117.36 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + H VAL 16 OK 100 100 100 100 2.6-2.9 867=95, 934/868=37...(13) QE PHE 52 - H VAL 16 far 0 78 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 20 from nnoeabs.peaks (3.79, 7.83, 117.36 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 15 + H VAL 16 OK 100 100 100 100 3.5-3.6 3.6=100 HA THR 14 + H VAL 16 OK 37 85 45 98 4.1-4.6 3.6/19=67, 933/868=65...(6) Violated in 0 structures by 0.00 A. Peak 21 from nnoeabs.peaks (2.50, 7.83, 117.36 ppm; 4.00 A increased from 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + H VAL 16 OK 100 100 100 100 3.7-4.0 1.8/22=74, 3361=74...(9) HG3 GLN 15 + H VAL 16 OK 85 85 100 100 3.3-4.0 3364=66, 1.8/3363=60...(10) HG3 MET 11 - H VAL 16 far 0 83 0 - 5.2-7.2 Violated in 0 structures by 0.00 A. Peak 22 from nnoeabs.peaks (1.63, 7.83, 117.36 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLN 15 + H VAL 16 OK 99 100 100 99 2.4-2.8 3362=70, 1.8/3361=66...(7) HB2 LEU 41 - H VAL 16 far 0 90 0 - 7.7-8.4 HG3 ARG 21 - H VAL 16 far 0 60 0 - 8.5-11.6 HD3 LYS 42 - H VAL 16 far 0 65 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 23 from nnoeabs.peaks (2.30, 7.83, 117.36 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + H VAL 16 OK 100 100 100 100 4.2-4.6 3363=100, 1.8/3364=97...(6) HG2 GLU 18 - H VAL 16 far 0 78 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 24 from nnoeabs.peaks (2.48, 7.83, 117.36 ppm; 3.96 A increased from 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + H VAL 16 OK 100 100 100 100 3.3-4.0 3364=83, 1.8/3363=59...(10) HB2 GLN 15 + H VAL 16 OK 85 85 100 100 3.7-4.0 1.8/22=73, 511/19=63...(9) HG3 MET 11 - H VAL 16 far 0 100 0 - 5.2-7.2 HG2 GLU 20 - H VAL 16 far 0 78 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 27 from nnoeabs.peaks (7.83, 8.01, 118.34 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H ILE 17 OK 100 100 100 100 2.5-2.8 868=100, 516/29=60...(11) Violated in 0 structures by 0.00 A. Peak 28 from nnoeabs.peaks (3.23, 8.01, 118.34 ppm; 3.71 A increased from 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + H ILE 17 OK 100 100 100 100 3.5-3.5 3.6=100 HB2 HIS 13 - H ILE 17 far 0 95 0 - 6.1-6.7 HD3 ARG 21 - H ILE 17 far 0 98 0 - 6.2-8.7 HD2 ARG 21 - H ILE 17 far 0 71 0 - 7.1-9.0 HB2 HIS 10 - H ILE 17 far 0 73 0 - 7.9-13.2 Violated in 0 structures by 0.00 A. Peak 29 from nnoeabs.peaks (2.07, 8.01, 118.34 ppm; 3.31 A): 1 out of 6 assignments used, quality = 0.98: * HB VAL 16 + H ILE 17 OK 98 100 100 98 2.5-3.0 3366=78, 2.1/30=57...(7) HG3 GLU 45 - H HIS 36 far 0 56 0 - 5.7-6.4 HG3 PRO 32 - H HIS 36 far 0 35 0 - 6.0-6.3 HB2 GLU 45 - H HIS 36 far 0 26 0 - 7.9-8.8 HB3 GLU 45 - H HIS 36 far 0 29 0 - 8.1-9.2 HB2 LYS 22 - H ILE 17 far 0 87 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 30 from nnoeabs.peaks (1.01, 8.01, 118.34 ppm; 3.62 A): 1 out of 4 assignments used, quality = 0.77: QG1 VAL 16 + H ILE 17 OK 77 83 95 98 3.3-3.8 2.1/29=75, 4.3=62...(9) ! QG2 VAL 16 - H ILE 17 far 0 100 0 - 3.8-4.0 QG1 VAL 48 - H HIS 36 far 0 46 0 - 6.7-7.2 QG1 VAL 48 - H ILE 17 far 0 90 0 - 9.2-10.1 Violated in 3 structures by 0.01 A. Peak 31 from nnoeabs.peaks (1.03, 8.01, 118.34 ppm; 3.65 A increased from 3.44 A): 1 out of 2 assignments used, quality = 0.94: * QG1 VAL 16 + H ILE 17 OK 94 100 95 99 3.3-3.8 2.1/29=76, 3368=72...(10) QG2 VAL 16 - H ILE 17 far 0 83 0 - 3.8-4.0 Violated in 1 structures by 0.01 A. Peak 32 from nnoeabs.peaks (8.01, 7.55, 119.23 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 17 + H GLU 18 OK 99 100 100 99 2.6-3.0 869=88, 521/34=44...(12) H LEU 19 + H GLU 18 OK 60 68 100 89 2.7-2.8 39=46, 4.3/529=33...(11) H LYS 60 - H TYR 57 far 0 43 0 - 5.5-8.4 H GLN 53 - H TYR 57 far 0 49 0 - 5.8-6.2 H LYS 22 - H GLU 18 far 0 83 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 33 from nnoeabs.peaks (3.69, 7.55, 119.23 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H GLU 18 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 34 from nnoeabs.peaks (1.84, 7.55, 119.23 ppm; 3.72 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 17 + H GLU 18 OK 100 100 100 100 2.3-2.6 3370=99, 521/869=64...(12) HG2 ARG 21 - H GLU 18 far 0 81 0 - 4.5-6.3 HB2 LYS 62 - H TYR 57 far 0 71 0 - 5.2-15.6 HB2 LYS 60 - H TYR 57 far 0 76 0 - 6.0-11.3 HD2 LYS 22 - H GLU 18 far 0 85 0 - 6.7-10.3 HG LEU 41 - H GLU 18 far 0 60 0 - 6.8-7.4 HB2 ARG 61 - H TYR 57 far 0 43 0 - 7.2-12.3 HB3 MET 11 - H GLU 18 far 0 100 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 35 from nnoeabs.peaks (0.81, 7.55, 119.23 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 17 + H GLU 18 OK 100 100 100 100 3.1-3.5 3371=99, 2.1/34=78...(12) QD1 ILE 50 - H TYR 57 far 0 72 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 36 from nnoeabs.peaks (1.08, 7.55, 119.23 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + H GLU 18 OK 100 100 100 100 4.0-4.2 3372=100, 523/869=90...(11) Violated in 0 structures by 0.00 A. Peak 37 from nnoeabs.peaks (1.38, 7.55, 119.23 ppm; 5.12 A increased from 4.81 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 17 + H GLU 18 OK 100 100 100 100 4.8-5.0 3373=100, 3.0/34=89...(11) HG2 LYS 58 - H TYR 57 poor 17 63 35 78 4.1-6.2 4.9/295=58, ~4851=45 HG3 LYS 49 - H TYR 57 far 0 52 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 38 from nnoeabs.peaks (0.70, 7.55, 119.23 ppm; 4.51 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + H GLU 18 OK 100 100 100 100 4.3-4.6 3.2/34=74, 1224/35=72...(11) QD1 LEU 41 + H GLU 18 OK 78 85 95 97 4.1-4.7 2.1/4437=63, 4438/39=42...(9) HB2 LEU 19 - H GLU 18 far 0 98 0 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 39 from nnoeabs.peaks (7.55, 7.98, 124.25 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 18 + H LEU 19 OK 97 100 100 97 2.7-2.8 870=57, 528/4.3=38...(11) QE PHE 52 - H LEU 19 far 0 76 0 - 6.1-7.2 Violated in 0 structures by 0.00 A. Peak 40 from nnoeabs.peaks (4.19, 7.98, 124.25 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 18 + H LEU 19 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 20 - H LEU 19 far 0 65 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 41 from nnoeabs.peaks (2.00, 7.98, 124.25 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.99: * HB2 GLU 18 + H LEU 19 OK 97 100 100 97 2.6-2.9 4.3=59, 528/39=53...(9) HB3 GLU 18 + H LEU 19 OK 78 100 80 97 3.2-3.9 4.3=59, 1249/3.6=57...(8) HB2 ARG 21 - H LEU 19 far 0 60 0 - 5.1-5.5 HB3 ARG 21 - H LEU 19 far 0 68 0 - 6.8-7.1 HB2 MET 11 - H LEU 19 far 0 100 0 - 6.8-8.1 HD3 ARG 55 - H LEU 19 far 0 73 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 42 from nnoeabs.peaks (2.00, 7.98, 124.25 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.99: HB2 GLU 18 + H LEU 19 OK 97 100 100 97 2.6-2.9 4.3=59, 528/39=53...(9) * HB3 GLU 18 + H LEU 19 OK 78 100 80 97 3.2-3.9 4.3=59, 1249/3.6=57...(8) HB2 ARG 21 - H LEU 19 far 0 60 0 - 5.1-5.5 HB3 ARG 21 - H LEU 19 far 0 68 0 - 6.8-7.1 HB2 MET 11 - H LEU 19 far 0 100 0 - 6.8-8.1 HD3 ARG 55 - H LEU 19 far 0 73 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 44 from nnoeabs.peaks (2.41, 7.98, 124.25 ppm; 4.85 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 18 + H LEU 19 OK 100 100 100 100 4.1-4.8 531/39=81, 1251/3.6=77...(7) HG3 GLU 20 + H LEU 19 OK 74 90 85 96 4.2-5.2 544/45=63, 4068/943=53...(5) HB3 LYS 22 - H LEU 19 far 0 65 0 - 6.0-7.1 HG2 MET 11 - H LEU 19 far 0 81 0 - 6.5-8.9 HD2 ARG 55 - H LEU 19 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 45 from nnoeabs.peaks (7.98, 8.41, 118.68 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + H GLU 20 OK 100 100 100 100 2.4-2.7 871=100, 4.0/47=37...(13) H ILE 17 - H GLU 20 far 0 68 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 46 from nnoeabs.peaks (3.64, 8.41, 118.68 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 19 + H GLU 20 OK 100 100 100 100 3.5-3.6 3.6=100 HA VAL 48 - H GLU 20 far 0 97 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 47 from nnoeabs.peaks (0.71, 8.41, 118.68 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LEU 19 + H GLU 20 OK 99 100 100 99 2.4-3.0 4.4=59, 1.8/48=56...(8) QD1 LEU 41 - H GLU 20 far 0 97 0 - 5.2-5.6 QD1 ILE 17 - H GLU 20 far 0 98 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 48 from nnoeabs.peaks (-0.76, 8.41, 118.68 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + H GLU 20 OK 100 100 100 100 3.3-3.9 4.4=98, 1.8/47=92...(6) Violated in 0 structures by 0.00 A. Peak 49 from nnoeabs.peaks (1.24, 8.41, 118.68 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + H GLU 20 OK 100 100 100 100 4.3-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 50 from nnoeabs.peaks (0.53, 8.41, 118.68 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + H GLU 20 OK 100 100 100 100 4.6-4.9 3384=100, 1281/3.6=90...(6) Violated in 0 structures by 0.00 A. Peak 51 from nnoeabs.peaks (-0.28, 8.41, 118.68 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + H GLU 20 OK 100 100 100 100 4.0-4.6 3.1/47=81, 2.1/3384=71...(7) HG2 ARG 55 - H GLU 20 far 0 100 0 - 6.2-6.8 HB3 ARG 55 - H GLU 20 far 0 100 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 52 from nnoeabs.peaks (8.41, 8.31, 121.06 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + H ARG 21 OK 100 100 100 100 2.6-2.9 872=70, 3.0/955=50...(12) Violated in 0 structures by 0.00 A. Peak 53 from nnoeabs.peaks (4.22, 8.31, 121.06 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 20 + H ARG 21 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 18 + H ARG 21 OK 54 65 85 96 3.5-3.9 3692=48, 3696/548=42...(10) Violated in 0 structures by 0.00 A. Peak 54 from nnoeabs.peaks (2.16, 8.31, 121.06 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + H ARG 21 OK 100 100 100 100 3.3-3.7 1.8/55=79, 4.1=77...(7) Violated in 0 structures by 0.00 A. Peak 55 from nnoeabs.peaks (2.04, 8.31, 121.06 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 20 + H ARG 21 OK 99 100 100 99 2.4-2.7 1.8/54=67, 4.1=65...(7) HB2 LYS 22 - H ARG 21 far 0 90 0 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 56 from nnoeabs.peaks (2.46, 8.31, 121.06 ppm; 5.00 A increased from 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 20 + H ARG 21 OK 100 100 100 100 4.2-5.0 3.0/55=90, 3389=88...(7) HG3 GLN 15 - H ARG 21 far 0 78 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 57 from nnoeabs.peaks (2.42, 8.31, 121.06 ppm; 4.51 A increased from 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 20 + H ARG 21 OK 100 100 100 100 4.4-4.5 3.0/55=80, 3.0/54=76...(9) HG3 GLU 18 - H ARG 21 far 0 90 0 - 6.0-6.6 Violated in 2 structures by 0.00 A. Peak 58 from nnoeabs.peaks (8.31, 8.03, 120.92 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + H LYS 22 OK 100 100 100 100 2.7-2.9 873=100, 547/60=60...(9) Violated in 0 structures by 0.00 A. Peak 59 from nnoeabs.peaks (4.07, 8.03, 120.92 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 21 + H LYS 22 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 24 - H LYS 22 far 0 99 0 - 6.7-7.0 HA LEU 37 - H LYS 22 far 0 97 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 60 from nnoeabs.peaks (1.97, 8.03, 120.92 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.93: * HB2 ARG 21 + H LYS 22 OK 93 100 100 93 2.4-2.9 3392=58, 547/873=51...(6) HB3 ARG 21 - H LYS 22 poor 20 100 20 - 3.0-3.9 HD3 LYS 22 - H LYS 22 far 5 99 5 - 3.1-4.8 HB3 GLU 18 - H LYS 22 far 0 60 0 - 5.6-6.1 HB2 GLU 18 - H LYS 22 far 0 60 0 - 6.3-6.8 HD3 ARG 55 - H LYS 22 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 61 from nnoeabs.peaks (1.97, 8.03, 120.92 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.93: HB2 ARG 21 + H LYS 22 OK 93 100 100 93 2.4-2.9 3392=58, 548/873=51...(6) ! HB3 ARG 21 - H LYS 22 poor 19 100 20 94 3.0-3.9 1351/3.6=47, 1.8/3392=46...(6) HD3 LYS 22 - H LYS 22 far 5 98 5 - 3.1-4.8 HB3 GLU 18 - H LYS 22 far 0 68 0 - 5.6-6.1 HB2 GLU 18 - H LYS 22 far 0 68 0 - 6.3-6.8 HD3 ARG 55 - H LYS 22 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 62 from nnoeabs.peaks (1.86, 8.03, 120.92 ppm; 4.88 A increased from 4.34 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 21 + H LYS 22 OK 100 100 100 100 4.3-4.9 3394=100, 1360/60=94...(7) HB ILE 17 - H LYS 22 far 0 81 0 - 8.0-8.3 HG LEU 41 - H LYS 22 far 0 99 0 - 8.4-9.0 HB2 GLU 33 - H LYS 22 far 0 73 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 63 from nnoeabs.peaks (1.60, 8.03, 120.92 ppm; 5.13 A increased from 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + H LYS 22 OK 100 100 100 100 4.2-5.0 3395=100, 3.0/60=95...(6) Violated in 0 structures by 0.00 A. Peak 66 from nnoeabs.peaks (8.03, 8.99, 121.58 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 22 + H PHE 23 OK 100 100 100 100 2.3-2.8 874=100, 555/4.3=47...(8) H ILE 17 - H PHE 23 far 0 83 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 67 from nnoeabs.peaks (4.35, 8.99, 121.58 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + H PHE 23 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 68 from nnoeabs.peaks (2.06, 8.99, 121.58 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 22 + H PHE 23 OK 100 100 100 100 2.8-3.8 4.3=100 HB3 GLU 20 - H PHE 23 far 0 90 0 - 5.2-5.7 HB VAL 16 - H PHE 23 far 0 87 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 69 from nnoeabs.peaks (2.38, 8.99, 121.58 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LYS 22 + H PHE 23 OK 99 100 100 99 2.4-3.3 4.3=95, 556/874=63...(4) HD2 ARG 55 - H PHE 23 far 0 65 0 - 9.1-10.2 HG3 GLU 18 - H PHE 23 far 0 65 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 76 from nnoeabs.peaks (8.99, 8.13, 111.74 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 23 + H SER 24 OK 99 100 100 99 2.6-2.9 875=82, 565/78=47...(7) Violated in 0 structures by 0.00 A. Peak 77 from nnoeabs.peaks (4.76, 8.13, 111.74 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + H SER 24 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 78 from nnoeabs.peaks (3.15, 8.13, 111.74 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 23 + H SER 24 OK 100 100 100 100 3.6-4.0 3408=79, 1.8/79=65...(7) HD2 ARG 61 - H SER 24 far 0 95 0 - 9.6-21.3 HD3 ARG 61 - H SER 24 far 0 95 0 - 9.8-20.5 Violated in 0 structures by 0.00 A. Peak 79 from nnoeabs.peaks (3.08, 8.13, 111.74 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + H SER 24 OK 100 100 100 100 2.3-2.8 3409=94, 1.8/78=87...(7) Violated in 0 structures by 0.00 A. Peak 81 from nnoeabs.peaks (7.06, 8.13, 111.74 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + H SER 24 OK 100 100 100 100 3.3-4.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 82 from nnoeabs.peaks (8.13, 7.63, 118.44 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + H HIS 25 OK 100 100 100 100 2.6-2.8 876=100, 571/4.4=28...(5) H LYS 27 - H HIS 25 far 0 99 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 83 from nnoeabs.peaks (4.08, 7.63, 118.44 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 24 + H HIS 25 OK 100 100 100 100 3.5-3.5 3.6=100 HA ARG 21 - H HIS 25 far 0 99 0 - 4.6-5.2 Violated in 0 structures by 0.00 A. Peak 84 from nnoeabs.peaks (3.97, 7.63, 118.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 24 + H HIS 25 OK 100 100 100 100 2.7-4.2 4.4=100 HB3 SER 24 + H HIS 25 OK 100 100 100 100 2.6-3.7 4.4=100 Violated in 0 structures by 0.00 A. Peak 85 from nnoeabs.peaks (3.97, 7.63, 118.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 24 + H HIS 25 OK 100 100 100 100 2.6-3.7 4.4=100 HB2 SER 24 + H HIS 25 OK 100 100 100 100 2.7-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 86 from nnoeabs.peaks (7.63, 8.51, 121.11 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.94: * H HIS 25 + H GLN 26 OK 94 100 100 94 2.5-2.7 877=86, 576/89=33...(4) HE22 GLN 26 - H GLN 26 far 0 97 0 - 3.7-5.7 Violated in 0 structures by 0.00 A. Peak 87 from nnoeabs.peaks (4.70, 8.51, 121.11 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + H GLN 26 OK 100 100 100 100 3.5-3.6 3.6=100 HA TYR 28 - H GLN 26 far 0 83 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 88 from nnoeabs.peaks (3.37, 8.51, 121.11 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + H GLN 26 OK 100 100 100 100 2.4-3.5 4.2=93, 1.8/89=80...(5) Violated in 0 structures by 0.00 A. Peak 89 from nnoeabs.peaks (3.31, 8.51, 121.11 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 25 + H GLN 26 OK 99 100 100 99 2.3-3.9 4.2=82, 1.8/88=71...(7) Violated in 0 structures by 0.00 A. Peak 91 from nnoeabs.peaks (8.51, 8.12, 119.98 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + H LYS 27 OK 100 100 100 100 4.3-4.4 4.6=100 H LEU 29 - H LYS 27 far 0 100 0 - 6.3-6.8 Violated in 0 structures by 0.00 A. Peak 92 from nnoeabs.peaks (4.49, 8.12, 119.98 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.88: * HA GLN 26 + H LYS 27 OK 88 100 100 88 2.2-2.5 3419=59, 3.0/94=25...(7) Violated in 0 structures by 0.00 A. Peak 93 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.99: * HB2 GLN 26 + H LYS 27 OK 98 100 100 98 2.2-2.9 3.0/92=73, 4.7=53...(7) HB3 GLN 26 + H LYS 27 OK 25 100 25 98 3.7-4.1 3.0/92=73, 4.7=53...(7) HB3 ARG 56 - H LYS 27 far 0 93 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 94 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLN 26 + H LYS 27 OK 98 100 100 98 2.2-2.9 3.0/92=73, 4.7=53...(7) * HB3 GLN 26 + H LYS 27 OK 25 100 25 98 3.7-4.1 3.0/92=73, 4.7=53...(7) HB3 ARG 56 - H LYS 27 far 0 93 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 95 from nnoeabs.peaks (2.29, 8.12, 119.98 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLN 26 + H LYS 27 OK 99 100 100 99 3.4-3.9 3.9/92=68, 4.9=61...(8) ! HG2 GLN 26 - H LYS 27 far 5 100 5 - 3.5-4.7 Violated in 0 structures by 0.00 A. Peak 96 from nnoeabs.peaks (2.29, 8.12, 119.98 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLN 26 + H LYS 27 OK 99 100 100 99 3.4-3.9 3.9/92=68, 4.9=61...(8) HG2 GLN 26 - H LYS 27 far 5 100 5 - 3.5-4.7 Violated in 0 structures by 0.00 A. Peak 99 from nnoeabs.peaks (8.12, 7.50, 113.08 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + H TYR 28 OK 100 100 100 100 2.0-2.7 879=100, 589/4.1=51...(8) H SER 24 - H TYR 28 far 0 99 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 100 from nnoeabs.peaks (3.90, 7.50, 113.08 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + H TYR 28 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 101 from nnoeabs.peaks (1.42, 7.50, 113.08 ppm; 5.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 27 + H TYR 28 OK 100 100 100 100 3.3-4.1 4.1=100 HG3 LYS 49 - HD21 ASN 54 far 0 40 0 - 8.0-11.2 HG3 LYS 49 - H TYR 28 far 0 83 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 102 from nnoeabs.peaks (1.56, 7.50, 113.08 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 27 + H TYR 28 OK 100 100 100 100 2.1-3.2 4.1=100 HD2 LYS 58 - HD21 ASN 54 far 4 40 10 - 4.6-8.8 HD3 LYS 58 - HD21 ASN 54 far 0 40 0 - 4.9-7.9 HG2 LYS 49 - HD21 ASN 54 far 0 50 0 - 8.3-11.7 HG3 ARG 34 - H TYR 28 far 0 68 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 109 from nnoeabs.peaks (7.50, 8.50, 122.84 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 28 + H LEU 29 OK 100 100 100 100 4.3-4.6 4.5=100 QE PHE 52 + H LEU 29 OK 36 68 70 76 4.4-5.7 4252/608=59, 4708/4.8=37 HE22 GLN 53 - H LEU 29 far 0 100 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 110 from nnoeabs.peaks (4.72, 8.50, 122.84 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.93: * HA TYR 28 + H LEU 29 OK 93 100 100 93 2.1-2.3 3.6=77, 3.0/111=39...(4) Violated in 0 structures by 0.00 A. Peak 111 from nnoeabs.peaks (2.95, 8.50, 122.84 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.97: * HB2 TYR 28 + H LEU 29 OK 97 100 100 97 2.8-3.9 3.0/110=71, 3434=66, 1.8/112=65 HE3 LYS 22 - H LEU 29 far 0 100 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 112 from nnoeabs.peaks (2.72, 8.50, 122.84 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + H LEU 29 OK 100 100 100 100 2.7-4.4 1.8/111=87, 4.7=84, 3.0/110=81 HD2 ARG 56 - H LEU 29 far 0 100 0 - 7.0-11.2 Violated in 0 structures by 0.00 A. Peak 114 from nnoeabs.peaks (7.13, 8.50, 122.84 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + H LEU 29 OK 100 100 100 100 3.9-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 116 from nnoeabs.peaks (4.58, 8.98, 118.86 ppm; 2.95 A): 2 out of 2 assignments used, quality = 0.98: * HA LEU 29 + H SER 30 OK 96 100 100 96 2.3-2.6 3438=83, 3.0/117=32...(7) HA SER 30 + H SER 30 OK 57 57 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 117 from nnoeabs.peaks (1.24, 8.98, 118.86 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + H SER 30 OK 100 100 100 100 2.1-2.6 3439=77, 3.0/3438=72...(9) Violated in 0 structures by 0.00 A. Peak 118 from nnoeabs.peaks (1.46, 8.98, 118.86 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 29 + H SER 30 OK 100 100 100 100 3.6-4.0 4.4=96, 1.8/117=86...(8) QB ALA 35 - H SER 30 far 0 71 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 121 from nnoeabs.peaks (0.46, 8.98, 118.86 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + H SER 30 OK 100 100 100 100 2.3-2.9 3443=73, 1722/3438=70...(11) Violated in 0 structures by 0.00 A. Peak 123 from nnoeabs.peaks (4.55, 9.18, 123.12 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 30 + H ALA 31 OK 100 100 100 100 2.4-2.5 3.6=100 HA LEU 29 - H ALA 31 far 0 57 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 124 from nnoeabs.peaks (4.01, 9.18, 123.12 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 30 + H ALA 31 OK 100 100 100 100 2.5-3.2 4.4=96, 4264/2.9=54...(8) HA ALA 35 - H ALA 31 far 0 60 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 125 from nnoeabs.peaks (4.22, 9.18, 123.12 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + H ALA 31 OK 97 100 100 97 2.4-3.2 4.4=56, 1.8/124=54...(7) HA ALA 31 + H ALA 31 OK 95 95 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 126 from nnoeabs.peaks (4.38, 7.21, 117.78 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + H GLU 33 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 127 from nnoeabs.peaks (1.80, 7.21, 117.78 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 32 + H GLU 33 OK 100 100 100 100 3.2-3.5 3.6=100 HD2 LYS 22 - H GLU 33 far 0 76 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 128 from nnoeabs.peaks (2.31, 7.21, 117.78 ppm; 3.18 A): 1 out of 5 assignments used, quality = 0.97: HB3 GLU 33 + H GLU 33 OK 97 98 100 99 2.2-2.4 3451=56, 1.8/618=49...(15) HG2 GLU 33 - H GLU 33 far 0 92 0 - 3.5-4.0 ! HB3 PRO 32 - H GLU 33 far 0 100 0 - 4.0-4.3 HG3 GLN 26 - H GLU 33 far 0 85 0 - 9.2-9.9 HG2 GLN 26 - H GLU 33 far 0 83 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 129 from nnoeabs.peaks (1.98, 7.21, 117.78 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 32 + H GLU 33 OK 100 100 100 100 3.7-4.1 3452=92, 1.8/130=88...(4) HD3 LYS 22 - H GLU 33 far 0 81 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 130 from nnoeabs.peaks (2.10, 7.21, 117.78 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + H GLU 33 OK 100 100 100 100 2.2-2.6 3453=94, 2.3/131=74...(5) HG3 GLU 45 - H GLU 33 far 0 65 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 131 from nnoeabs.peaks (3.91, 7.21, 117.78 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + H GLU 33 OK 100 100 100 100 3.8-3.9 3447=99, 1.8/3448=68...(6) Violated in 0 structures by 0.00 A. Peak 132 from nnoeabs.peaks (3.80, 7.21, 117.78 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + H GLU 33 OK 100 100 100 100 2.6-2.7 3448=100, 1.8/131=87...(7) HA ARG 34 - H GLU 33 far 0 97 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 133 from nnoeabs.peaks (7.21, 8.73, 121.67 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 33 + H ARG 34 OK 99 100 100 99 2.6-2.8 883=82, 620/137=47...(9) Violated in 0 structures by 0.00 A. Peak 134 from nnoeabs.peaks (4.07, 8.73, 121.67 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + H ARG 34 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 37 - H ARG 34 far 0 96 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 135 from nnoeabs.peaks (1.88, 8.73, 121.67 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.71: HB3 ARG 34 + H ARG 34 OK 71 73 100 97 2.5-2.7 1.8/624=65, 3.9=49...(10) ! HB2 GLU 33 - H ARG 34 far 15 100 15 - 2.9-3.5 HB3 LYS 49 - H ARG 34 far 0 100 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 136 from nnoeabs.peaks (2.32, 8.73, 121.67 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 33 + H ARG 34 OK 99 100 100 99 2.6-2.8 1.8/3455=57, 619/133=53...(11) HG2 GLU 33 - H ARG 34 far 0 99 0 - 4.8-5.1 HB3 PRO 32 - H ARG 34 far 0 98 0 - 5.9-6.4 HG3 GLN 26 - H ARG 34 far 0 63 0 - 8.3-8.9 HG2 GLN 26 - H ARG 34 far 0 60 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 137 from nnoeabs.peaks (2.32, 8.73, 121.67 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.98: HB3 GLU 33 + H ARG 34 OK 98 99 100 99 2.6-2.8 1.8/3455=57, 620/133=53...(11) ! HG2 GLU 33 - H ARG 34 far 0 100 0 - 4.8-5.1 HB3 PRO 32 - H ARG 34 far 0 92 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 138 from nnoeabs.peaks (2.23, 8.73, 121.67 ppm; 4.72 A increased from 4.44 A): 1 out of 1 assignment used, quality = 0.95: * HG3 GLU 33 + H ARG 34 OK 95 100 95 100 4.4-4.9 3.0/136=86, 3458=83...(9) Violated in 2 structures by 0.01 A. Peak 139 from nnoeabs.peaks (8.73, 8.15, 120.97 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H ALA 35 OK 100 100 100 100 2.5-2.8 884=99, 624/141=44...(13) Violated in 0 structures by 0.00 A. Peak 140 from nnoeabs.peaks (3.79, 8.15, 120.97 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + H ALA 35 OK 100 100 100 100 3.5-3.6 3.6=100 HD3 PRO 32 - H ALA 35 far 0 97 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 141 from nnoeabs.peaks (1.94, 8.15, 120.97 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.99: * HB2 ARG 34 + H ALA 35 OK 99 100 100 99 2.4-2.8 3460=66, 624/139=53...(9) HB3 LYS 39 - H ALA 35 far 0 93 0 - 6.9-7.5 HB2 LYS 39 - H ALA 35 far 0 90 0 - 8.6-9.0 HD3 LYS 22 - H ALA 35 far 0 78 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 142 from nnoeabs.peaks (1.86, 8.15, 120.97 ppm; 4.05 A increased from 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + H ALA 35 OK 100 100 100 100 3.8-4.0 3461=92, 1.8/141=91...(9) HB2 GLU 33 - H ALA 35 far 0 73 0 - 5.1-5.7 HB3 LYS 49 - H ALA 35 far 0 78 0 - 8.0-9.5 HG LEU 41 - H ALA 35 far 0 99 0 - 9.5-9.7 Violated in 1 structures by 0.00 A. Peak 143 from nnoeabs.peaks (1.34, 8.15, 120.97 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + H ALA 35 OK 100 100 100 100 3.3-4.0 3.0/141=75, 1.8/144=64...(9) QB ALA 38 - H ALA 35 far 0 100 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 144 from nnoeabs.peaks (1.59, 8.15, 120.97 ppm; 4.64 A increased from 4.37 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 34 + H ALA 35 OK 100 100 100 100 4.3-4.7 1.8/143=89, 3.0/141=86...(10) QB ALA 31 - H ALA 35 far 0 63 0 - 5.0-5.2 HG LEU 37 - H ALA 35 far 0 68 0 - 7.1-7.5 HG2 LYS 49 - H ALA 35 far 0 92 0 - 9.6-12.4 Violated in 1 structures by 0.00 A. Peak 147 from nnoeabs.peaks (8.15, 7.99, 118.30 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 35 + H HIS 36 OK 99 100 100 99 2.6-2.9 885=92, 632/149=61...(7) Violated in 0 structures by 0.00 A. Peak 148 from nnoeabs.peaks (3.98, 7.99, 118.30 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 35 + H HIS 36 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 30 - H HIS 36 far 0 60 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 149 from nnoeabs.peaks (1.49, 7.99, 118.30 ppm; 3.03 A): 1 out of 3 assignments used, quality = 0.95: * QB ALA 35 + H HIS 36 OK 95 100 100 95 2.3-2.6 3467=79, 632/147=49...(6) HB3 LEU 29 - H HIS 36 far 0 71 0 - 8.1-8.7 HG LEU 43 - H ILE 17 far 0 47 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 150 from nnoeabs.peaks (7.99, 8.07, 120.69 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + H LEU 37 OK 100 100 100 100 2.5-2.7 886=100, 636/153=41...(8) H ASN 40 - H LEU 37 far 0 63 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 151 from nnoeabs.peaks (4.32, 8.07, 120.69 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 36 + H LEU 37 OK 100 100 100 100 3.4-3.5 3.6=100 HA LEU 41 - H LEU 37 far 0 76 0 - 9.0-9.2 HA LYS 49 - H LEU 37 far 0 97 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 152 from nnoeabs.peaks (3.19, 8.07, 120.69 ppm; 3.27 A increased from 3.08 A): 1 out of 2 assignments used, quality = 0.97: HB3 HIS 36 + H LEU 37 OK 97 100 100 97 3.0-3.2 3469=90, 635/886=45...(5) ! HB2 HIS 36 - H LEU 37 far 0 100 0 - 3.6-4.2 Violated in 0 structures by 0.00 A. Peak 153 from nnoeabs.peaks (3.19, 8.07, 120.69 ppm; 3.27 A increased from 3.08 A): 1 out of 2 assignments used, quality = 0.97: * HB3 HIS 36 + H LEU 37 OK 97 100 100 97 3.0-3.2 3470=90, 636/886=45...(5) HB2 HIS 36 - H LEU 37 far 0 100 0 - 3.6-4.2 Violated in 0 structures by 0.00 A. Peak 155 from nnoeabs.peaks (8.07, 8.44, 119.33 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + H ALA 38 OK 100 100 100 100 2.5-2.6 887=100, 641/158=49...(13) H LEU 41 - H ALA 38 far 0 97 0 - 4.9-5.0 H GLN 47 - H ALA 38 far 0 92 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 156 from nnoeabs.peaks (4.06, 8.44, 119.33 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + H ALA 38 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 39 - H ALA 38 far 0 76 0 - 5.3-5.4 HA GLU 33 - H ALA 38 far 0 95 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 157 from nnoeabs.peaks (1.66, 8.44, 119.33 ppm; 3.93 A increased from 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + H ALA 38 OK 100 100 100 100 3.7-3.9 3473=100, 1.8/158=90...(10) HG3 LYS 22 - H ALA 38 far 0 93 0 - 8.5-9.6 HD3 LYS 42 - H ALA 38 far 0 100 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 158 from nnoeabs.peaks (1.73, 8.44, 119.33 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 37 + H ALA 38 OK 99 100 100 99 2.3-2.6 3474=63, 1.8/3473=55...(10) HG2 LYS 22 - H ALA 38 far 0 87 0 - 7.0-7.8 HD2 LYS 42 - H ALA 38 far 0 96 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 159 from nnoeabs.peaks (1.56, 8.44, 119.33 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 37 + H ALA 38 OK 100 100 100 100 3.2-3.8 3.0/158=74, 2.1/160=67...(10) HG3 ARG 34 - H ALA 38 far 7 68 10 - 4.2-4.9 HG3 LYS 39 - H ALA 38 far 0 92 0 - 4.2-5.9 QB ALA 31 - H ALA 38 far 0 100 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 160 from nnoeabs.peaks (0.92, 8.44, 119.33 ppm; 4.25 A increased from 3.77 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + H ALA 38 OK 100 100 100 100 3.9-4.3 2.1/159=76, 3.1/158=76...(9) Violated in 3 structures by 0.00 A. Peak 161 from nnoeabs.peaks (0.96, 8.44, 119.33 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.91: QG2 VAL 48 + H ALA 38 OK 91 97 100 94 2.9-3.4 4405/647=65, 4403/2.9=52...(7) ! QD1 LEU 37 - H ALA 38 far 0 100 0 - 4.2-4.5 Violated in 0 structures by 0.00 A. Peak 162 from nnoeabs.peaks (8.44, 7.67, 116.42 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H LYS 39 OK 100 100 100 100 2.7-2.9 888=100, 647/164=57...(11) Violated in 0 structures by 0.00 A. Peak 163 from nnoeabs.peaks (3.61, 7.67, 116.42 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 45 - H LYS 39 far 0 60 0 - 5.8-6.4 HA VAL 48 - H LYS 39 far 0 90 0 - 8.4-8.8 HA LEU 19 - H LYS 39 far 0 65 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 164 from nnoeabs.peaks (1.34, 7.67, 116.42 ppm; 3.00 A): 1 out of 4 assignments used, quality = 0.98: * QB ALA 38 + H LYS 39 OK 98 100 100 98 2.4-2.5 3479=88, 647/888=47...(7) HG2 ARG 34 - H LYS 39 far 0 100 0 - 6.3-7.0 HG3 LYS 42 - H LYS 39 far 0 97 0 - 7.4-9.4 HG2 LYS 42 - H LYS 39 far 0 97 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 165 from nnoeabs.peaks (7.67, 8.02, 117.69 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + H ASN 40 OK 100 100 100 100 2.6-2.7 889=100, 650/4.1=39...(15) H VAL 48 - H ASN 40 far 0 98 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 166 from nnoeabs.peaks (4.08, 8.02, 117.69 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 39 + H ASN 40 OK 100 100 100 100 3.5-3.5 3.6=93, 3.0/889=60...(11) HA LEU 37 + H ASN 40 OK 75 78 100 96 3.4-3.5 3758=56, 3.6/997=38...(10) HA GLU 33 - H ASN 40 far 0 97 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 167 from nnoeabs.peaks (1.92, 8.02, 117.69 ppm; 3.05 A): 0 out of 3 assignments used, quality = 0.00: HB3 LYS 39 - H ASN 40 far 0 100 0 - 3.9-4.1 ! HB2 LYS 39 - H ASN 40 far 0 100 0 - 4.0-4.1 HB2 ARG 34 - H ASN 40 far 0 90 0 - 9.3-9.7 Violated in 20 structures by 0.49 A. Peak 168 from nnoeabs.peaks (1.92, 8.02, 117.69 ppm; 3.05 A): 0 out of 3 assignments used, quality = 0.00: ! HB3 LYS 39 - H ASN 40 far 0 100 0 - 3.9-4.1 HB2 LYS 39 - H ASN 40 far 0 100 0 - 4.0-4.1 HB2 ARG 34 - H ASN 40 far 0 93 0 - 9.3-9.7 Violated in 20 structures by 0.49 A. Peak 169 from nnoeabs.peaks (1.43, 8.02, 117.69 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + H ASN 40 OK 100 100 100 100 2.4-2.8 1.8/170=75, 3483=73...(11) HB3 LEU 41 - H ASN 40 far 0 100 0 - 6.1-6.2 Violated in 0 structures by 0.00 A. Peak 170 from nnoeabs.peaks (1.54, 8.02, 117.69 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + H ASN 40 OK 100 100 100 100 2.5-3.0 1.8/169=80, 653/889=72...(11) HG LEU 37 - H ASN 40 far 0 92 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 175 from nnoeabs.peaks (8.02, 8.06, 116.05 ppm; 2.62 A): 1 out of 2 assignments used, quality = 0.98: * H ASN 40 + H LEU 41 OK 98 100 100 98 2.5-2.6 890=91, 3.0/3489=29...(10) H HIS 36 - H LEU 41 far 0 63 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 176 from nnoeabs.peaks (4.37, 8.06, 116.05 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 40 + H LEU 41 OK 100 100 100 100 3.4-3.5 3.6=100 HB2 SER 12 - H LEU 41 far 0 100 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 177 from nnoeabs.peaks (2.76, 8.06, 116.05 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + H LEU 41 OK 100 100 100 100 3.2-3.2 3490=100, 660/175=80...(10) Violated in 0 structures by 0.00 A. Peak 178 from nnoeabs.peaks (2.70, 8.06, 116.05 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + H LEU 41 OK 100 100 100 100 3.4-3.6 3491=100, 1.8/3490=83...(8) Violated in 0 structures by 0.00 A. Peak 181 from nnoeabs.peaks (8.06, 7.90, 117.73 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 41 + H LYS 42 OK 97 100 100 97 2.3-2.5 891=79, 666/183=31...(8) H LEU 37 - H LYS 42 far 0 97 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 182 from nnoeabs.peaks (4.34, 7.90, 117.73 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 41 + H LYS 42 OK 100 100 100 100 3.0-3.2 3.6=100 HA HIS 36 - H LYS 42 far 0 76 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 183 from nnoeabs.peaks (1.62, 7.90, 117.73 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + H LYS 42 OK 100 100 100 100 3.6-3.9 4.6=75, 666/181=74...(6) HB3 LEU 43 - H LYS 42 far 0 93 0 - 6.2-6.3 HB3 GLN 15 - H LYS 42 far 0 90 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 184 from nnoeabs.peaks (1.43, 7.90, 117.73 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + H LYS 42 OK 100 100 100 100 4.4-4.5 4.6=95, 1.8/183=86...(5) HG2 LYS 39 - H LYS 42 far 0 100 0 - 5.1-5.7 Violated in 0 structures by 0.00 A. Peak 185 from nnoeabs.peaks (1.87, 7.90, 117.73 ppm; 4.19 A increased from 3.94 A): 1 out of 2 assignments used, quality = 0.76: HB2 LYS 42 + H LYS 42 OK 76 76 100 100 4.0-4.1 4.0=100 ! HG LEU 41 - H LYS 42 far 0 100 0 - 4.4-4.7 Violated in 0 structures by 0.00 A. Peak 186 from nnoeabs.peaks (0.75, 7.90, 117.73 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + H LYS 42 OK 100 100 100 100 4.3-4.5 2098/3.6=84, 669/181=75...(5) Violated in 0 structures by 0.00 A. Peak 187 from nnoeabs.peaks (0.72, 7.90, 117.73 ppm; 5.53 A increased from 4.66 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + H LYS 42 OK 100 100 100 100 5.3-5.4 670/181=91, 3.1/183=88...(5) Violated in 0 structures by 0.00 A. Peak 188 from nnoeabs.peaks (7.90, 8.33, 119.56 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + H LEU 43 OK 100 100 100 100 2.6-2.8 892=100, 672/189=57...(9) Violated in 0 structures by 0.00 A. Peak 189 from nnoeabs.peaks (3.98, 8.33, 119.56 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.95: * HA LYS 42 + H LEU 43 OK 95 100 100 95 2.8-3.0 3498=80, 672/892=49...(6) HA ALA 35 - H LEU 43 far 0 100 0 - 7.5-8.0 HA GLN 47 - H LEU 43 far 0 78 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 190 from nnoeabs.peaks (1.89, 8.33, 119.56 ppm; 4.74 A increased from 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + H LEU 43 OK 100 100 100 100 4.3-4.5 4.7=100 HG LEU 41 + H LEU 43 OK 41 76 55 99 4.7-5.1 3.0/684=86, 2.1/4471=65...(4) Violated in 0 structures by 0.00 A. Peak 191 from nnoeabs.peaks (2.15, 8.33, 119.56 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + H LEU 43 OK 100 100 100 100 4.0-4.2 4.7=100 HB VAL 48 - H LEU 43 far 0 97 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 192 from nnoeabs.peaks (1.35, 8.33, 119.56 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.95: QB ALA 38 + H LEU 43 OK 95 97 100 97 3.4-3.7 2.1/4485=64, 4394=57...(8) ! HG2 LYS 42 - H LEU 43 far 0 100 0 - 4.8-6.0 HG3 LYS 42 - H LEU 43 far 0 100 0 - 4.9-5.9 HG2 ARG 34 - H LEU 43 far 0 95 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 193 from nnoeabs.peaks (1.35, 8.33, 119.56 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.95: QB ALA 38 + H LEU 43 OK 95 97 100 97 3.4-3.7 2.1/4485=64, 4394=57...(8) HG2 LYS 42 - H LEU 43 far 0 100 0 - 4.8-6.0 ! HG3 LYS 42 - H LEU 43 far 0 100 0 - 4.9-5.9 HG2 ARG 34 - H LEU 43 far 0 95 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 198 from nnoeabs.peaks (8.33, 8.84, 109.64 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H THR 44 OK 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 199 from nnoeabs.peaks (4.87, 8.84, 109.64 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 43 + H THR 44 OK 99 100 100 99 2.6-2.6 3.6=91, 3.0/201=53...(6) Violated in 0 structures by 0.00 A. Peak 200 from nnoeabs.peaks (1.23, 8.84, 109.64 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + H THR 44 OK 100 100 100 100 3.2-3.4 3508=99, 1.8/201=92...(11) QG2 THR 46 - H THR 44 far 0 71 0 - 6.1-6.3 HG LEU 19 - H THR 44 far 0 92 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 201 from nnoeabs.peaks (1.60, 8.84, 109.64 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + H THR 44 OK 100 100 100 100 2.0-2.1 3509=67, 3.0/199=53...(12) HB2 LEU 41 - H THR 44 far 0 93 0 - 6.1-6.4 HG3 ARG 34 - H THR 44 far 0 89 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 202 from nnoeabs.peaks (1.47, 8.84, 109.64 ppm; 4.89 A increased from 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + H THR 44 OK 100 100 100 100 4.6-4.8 3510=98, 2.1/3511=92...(8) QB ALA 35 - H THR 44 far 0 92 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 203 from nnoeabs.peaks (0.85, 8.84, 109.64 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + H THR 44 OK 100 100 100 100 3.0-3.5 3511=100, 2230/199=69...(11) Violated in 0 structures by 0.00 A. Peak 204 from nnoeabs.peaks (0.66, 8.84, 109.64 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H THR 44 OK 100 100 100 100 4.0-4.3 4.7=90, 2.1/3511=87...(10) Violated in 0 structures by 0.00 A. Peak 206 from nnoeabs.peaks (4.65, 9.24, 121.30 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + H GLU 45 OK 100 100 100 100 2.3-2.4 3513=97, 3.0/207=48...(6) Violated in 0 structures by 0.00 A. Peak 207 from nnoeabs.peaks (4.78, 9.24, 121.30 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.94: * HB THR 44 + H GLU 45 OK 94 100 100 94 2.5-2.8 3.0/206=53, 2.1/208=45...(5) Violated in 0 structures by 0.00 A. Peak 208 from nnoeabs.peaks (1.28, 9.24, 121.30 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + H GLU 45 OK 100 100 100 100 3.7-4.0 4.2=100 HG12 ILE 50 - H GLU 45 far 0 99 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 209 from nnoeabs.peaks (9.24, 8.14, 115.25 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 45 + H THR 46 OK 99 100 100 99 2.7-2.8 895=74, 207/4799=61...(7) Violated in 0 structures by 0.00 A. Peak 210 from nnoeabs.peaks (3.64, 8.14, 115.25 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + H THR 46 OK 100 100 100 100 3.5-3.5 3.6=100 HA VAL 48 - H THR 46 far 0 95 0 - 6.9-7.2 HA ALA 38 - H THR 46 far 0 60 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 211 from nnoeabs.peaks (2.04, 8.14, 115.25 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.92: HB3 GLU 45 + H THR 46 OK 84 100 100 84 2.8-3.1 694/209=45, 4.6=42...(4) * HB2 GLU 45 + H THR 46 OK 48 100 65 75 3.4-3.8 4.6=42, 4.0/209=37, 3.0/213=30 HG3 GLU 45 - H THR 46 far 0 65 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 212 from nnoeabs.peaks (2.05, 8.14, 115.25 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.92: * HB3 GLU 45 + H THR 46 OK 84 100 100 84 2.8-3.1 695/209=45, 4.6=42...(4) HB2 GLU 45 + H THR 46 OK 48 100 65 75 3.4-3.8 4.6=42, 4.0/209=37, 3.0/213=30 HG3 GLU 45 - H THR 46 far 0 71 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 213 from nnoeabs.peaks (2.40, 8.14, 115.25 ppm; 5.00 A increased from 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 45 + H THR 46 OK 100 100 100 100 4.6-4.9 696/209=79, 2298/3.6=78...(6) HG3 GLN 47 - H THR 46 far 5 100 5 - 4.7-6.0 HG2 MET 11 - H THR 46 far 0 96 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 214 from nnoeabs.peaks (2.07, 8.14, 115.25 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.74: HB3 GLU 45 + H THR 46 OK 58 71 100 82 2.8-3.1 697/209=46, 4.6=43...(4) HB2 GLU 45 + H THR 46 OK 37 65 75 76 3.4-3.8 4.6=43, 4.0/209=37, 3.0/213=31 ! HG3 GLU 45 - H THR 46 far 0 100 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 215 from nnoeabs.peaks (8.14, 8.05, 120.26 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H THR 46 + H GLN 47 OK 100 100 100 100 2.5-2.8 896=100, 700/217=52...(6) H ALA 35 - H GLN 47 far 0 98 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 216 from nnoeabs.peaks (3.90, 8.05, 120.26 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H GLN 47 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 217 from nnoeabs.peaks (4.06, 8.05, 120.26 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.98: * HB THR 46 + H GLN 47 OK 98 100 100 98 2.4-2.8 3522=80, 2.1/218=61...(5) HA LYS 39 - H GLN 47 far 0 78 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 218 from nnoeabs.peaks (1.25, 8.05, 120.26 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 46 + H GLN 47 OK 100 100 100 100 3.3-3.6 2.1/217=73, 4.3=64...(8) HB2 LEU 43 - H GLN 47 far 0 71 0 - 5.6-6.1 HG LEU 19 - H GLN 47 far 0 97 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 219 from nnoeabs.peaks (8.05, 7.68, 118.72 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + H VAL 48 OK 100 100 100 100 2.6-3.0 897=100, 704/221=50...(12) H GLN 53 - H VAL 48 far 0 87 0 - 8.0-8.5 H LEU 41 - H VAL 48 far 0 100 0 - 8.0-8.5 H LEU 37 - H VAL 48 far 0 92 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 220 from nnoeabs.peaks (3.96, 7.68, 118.72 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + H VAL 48 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 35 - H VAL 48 far 0 76 0 - 7.0-7.8 HA LYS 42 - H VAL 48 far 0 78 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 221 from nnoeabs.peaks (2.58, 7.68, 118.72 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLN 47 + H VAL 48 OK 99 100 100 99 2.1-2.6 704/897=69, 1.8/222=68...(6) Violated in 0 structures by 0.00 A. Peak 222 from nnoeabs.peaks (1.83, 7.68, 118.72 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + H VAL 48 OK 100 100 100 100 3.0-3.5 1.8/221=83, 4.7=76...(7) HB3 MET 11 - H VAL 48 far 0 98 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 223 from nnoeabs.peaks (2.55, 7.68, 118.72 ppm; 4.77 A increased from 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + H VAL 48 OK 100 100 100 100 4.2-4.6 706/897=89, 2325/3.6=80...(7) Violated in 0 structures by 0.00 A. Peak 224 from nnoeabs.peaks (2.40, 7.68, 118.72 ppm; 5.22 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 47 + H VAL 48 OK 100 100 100 100 4.1-5.0 1.8/223=90, 2326/3.6=88...(6) HG2 GLU 45 - H VAL 48 far 0 100 0 - 6.0-6.5 HG2 MET 11 - H VAL 48 far 0 89 0 - 6.3-8.1 HD2 ARG 55 - H VAL 48 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 227 from nnoeabs.peaks (7.68, 8.54, 121.11 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + H LYS 49 OK 100 100 100 100 2.6-2.9 898=100, 712/229=55...(8) HE22 GLN 47 - H LYS 49 far 0 90 0 - 7.0-9.0 H LYS 39 - H LYS 49 far 0 98 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 228 from nnoeabs.peaks (3.63, 8.54, 121.11 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 48 + H LYS 49 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 45 + H LYS 49 OK 68 95 75 96 3.7-4.8 3773/229=58, 3772/898=47...(6) HA ALA 38 - H LYS 49 far 0 90 0 - 6.8-7.3 HA LEU 19 - H LYS 49 far 0 97 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 229 from nnoeabs.peaks (2.16, 8.54, 121.11 ppm; 3.21 A): 1 out of 2 assignments used, quality = 0.99: * HB VAL 48 + H LYS 49 OK 99 100 100 99 2.4-2.8 3530=65, 2.1/230=46...(12) HB2 GLN 53 - H LYS 49 far 0 93 0 - 6.6-9.2 Violated in 0 structures by 0.00 A. Peak 230 from nnoeabs.peaks (1.00, 8.54, 121.11 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + H LYS 49 OK 100 100 100 100 3.3-3.6 4.1=88, 2.1/229=86...(9) QG2 VAL 16 - H LYS 49 far 0 90 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 231 from nnoeabs.peaks (0.95, 8.54, 121.11 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 48 + H LYS 49 OK 100 100 100 100 3.7-3.9 4.1=95, 2.1/229=89...(11) QD1 LEU 37 - H LYS 49 far 0 97 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 232 from nnoeabs.peaks (8.54, 8.69, 119.98 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H ILE 50 OK 100 100 100 100 2.6-3.0 899=100, 717/234=56...(10) Violated in 0 structures by 0.00 A. Peak 233 from nnoeabs.peaks (4.33, 8.69, 119.98 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + H ILE 50 OK 100 100 100 100 3.5-3.6 3.6=100 HA ASN 54 - H ILE 50 far 0 65 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 234 from nnoeabs.peaks (2.13, 8.69, 119.98 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + H ILE 50 OK 100 100 100 100 2.2-2.8 3534=78, 1.8/235=62...(12) HB2 GLN 53 - H ILE 50 far 0 76 0 - 4.6-7.0 Violated in 0 structures by 0.00 A. Peak 235 from nnoeabs.peaks (1.88, 8.69, 119.98 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + H ILE 50 OK 100 100 100 100 3.6-4.0 1.8/234=85, 3535=82...(7) HB3 ARG 34 - H ILE 50 far 0 78 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 236 from nnoeabs.peaks (1.57, 8.69, 119.98 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 49 + H ILE 50 OK 100 100 100 100 3.2-5.0 5.0=100 HG3 ARG 34 - H ILE 50 far 0 92 0 - 6.9-7.8 Violated in 1 structures by 0.00 A. Peak 237 from nnoeabs.peaks (1.40, 8.69, 119.98 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + H ILE 50 OK 100 100 100 100 3.9-4.8 5.0=91, 3.0/234=87...(7) Violated in 1 structures by 0.00 A. Peak 238 from nnoeabs.peaks (1.70, 8.69, 119.98 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.97: HG13 ILE 50 + H ILE 50 OK 97 97 100 100 2.0-3.5 2499=81, 1.8/729=63...(15) HD3 LYS 49 - H ILE 50 far 5 100 5 - 3.1-5.7 ! HD2 LYS 49 - H ILE 50 far 0 100 0 - 3.8-6.3 HB2 ARG 56 - H ILE 50 far 0 87 0 - 10.0-11.7 Violated in 2 structures by 0.01 A. Peak 239 from nnoeabs.peaks (1.70, 8.69, 119.98 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.97: HG13 ILE 50 + H ILE 50 OK 97 97 100 100 2.0-3.5 2499=82, 1.8/729=63...(15) ! HD3 LYS 49 - H ILE 50 far 5 100 5 - 3.1-5.7 HD2 LYS 49 - H ILE 50 far 0 100 0 - 3.8-6.3 HB2 ARG 56 - H ILE 50 far 0 85 0 - 10.0-11.7 Violated in 2 structures by 0.01 A. Peak 242 from nnoeabs.peaks (8.69, 8.27, 121.67 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + H TRP 51 OK 100 100 100 100 2.5-2.9 900=86, 727/244=54...(10) Violated in 0 structures by 0.00 A. Peak 243 from nnoeabs.peaks (3.77, 8.27, 121.67 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 50 + H TRP 51 OK 100 100 100 100 3.5-3.6 3.6=100 HA PHE 52 - H TRP 51 far 0 89 0 - 5.4-5.5 HA ARG 34 - H TRP 51 far 0 90 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 244 from nnoeabs.peaks (1.94, 8.27, 121.67 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.99: * HB ILE 50 + H TRP 51 OK 99 100 100 99 2.3-2.9 3543=70, 2.1/245=57...(13) HB2 ARG 34 - H TRP 51 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 245 from nnoeabs.peaks (0.91, 8.27, 121.67 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + H TRP 51 OK 100 100 100 100 3.3-3.7 2.1/244=76, 4.3=62...(12) QD2 LEU 37 - H TRP 51 far 0 100 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 246 from nnoeabs.peaks (1.29, 8.27, 121.67 ppm; 5.47 A increased from 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + H TRP 51 OK 100 100 100 100 3.9-5.2 3545=100, 3.0/244=98...(11) QG2 THR 44 - H TRP 51 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 247 from nnoeabs.peaks (1.69, 8.27, 121.67 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 50 + H TRP 51 OK 100 100 100 100 4.2-4.7 3.0/244=86, 3546=80...(11) HD2 LYS 49 - H TRP 51 far 0 97 0 - 5.3-8.2 HD3 LYS 49 - H TRP 51 far 0 97 0 - 5.4-7.9 HB2 ARG 56 - H TRP 51 far 0 60 0 - 8.7-10.7 Violated in 2 structures by 0.00 A. Peak 248 from nnoeabs.peaks (0.80, 8.27, 121.67 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + H TRP 51 OK 100 100 100 100 4.2-4.6 3.2/244=83, 2491/245=81...(11) Violated in 3 structures by 0.00 A. Peak 249 from nnoeabs.peaks (8.27, 8.94, 119.28 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + H PHE 52 OK 100 100 100 100 2.9-3.0 901=99, 735/4.3=45...(8) H ASN 54 - H PHE 52 far 0 60 0 - 4.4-4.8 Violated in 0 structures by 0.00 A. Peak 250 from nnoeabs.peaks (4.02, 8.94, 119.28 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H PHE 52 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 251 from nnoeabs.peaks (3.50, 8.94, 119.28 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.98: * HB2 TRP 51 + H PHE 52 OK 94 100 100 94 2.1-2.2 4.3=55, 734/249=47...(6) HB3 PHE 52 + H PHE 52 OK 60 63 100 96 2.3-3.5 4.1=64, 2.5/747=55...(7) Violated in 0 structures by 0.00 A. Peak 252 from nnoeabs.peaks (3.29, 8.94, 119.28 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.99: * HB3 TRP 51 + H PHE 52 OK 95 100 100 95 3.5-3.6 4.3=60, 735/249=51...(5) HB2 PHE 52 + H PHE 52 OK 87 89 100 98 2.2-3.6 4.1=69, 1.8/2605=65...(6) HD3 ARG 34 - H PHE 52 far 0 78 0 - 5.5-7.4 Violated in 0 structures by 0.00 A. Peak 254 from nnoeabs.peaks (6.97, 8.94, 119.28 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.99: * HE3 TRP 51 + H PHE 52 OK 99 100 100 99 2.5-2.9 4794/2.9=74, 4673/747=56...(8) HZ PHE 23 - H PHE 52 far 0 73 0 - 7.2-9.0 Violated in 0 structures by 0.00 A. Peak 259 from nnoeabs.peaks (8.94, 8.03, 118.15 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + H GLN 53 OK 100 100 100 100 2.7-2.9 902=91, 2605/262=41...(9) Violated in 0 structures by 0.00 A. Peak 260 from nnoeabs.peaks (3.76, 8.03, 118.15 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 52 + H GLN 53 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 50 + H GLN 53 OK 82 89 95 98 3.4-3.8 3803=56, 3806/751=43...(10) Violated in 0 structures by 0.00 A. Peak 261 from nnoeabs.peaks (3.27, 8.03, 118.15 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.99: * HB2 PHE 52 + H GLN 53 OK 99 100 100 99 2.6-3.8 1.8/262=83, 4.5=79...(4) HB3 TRP 51 - H GLN 53 far 0 89 0 - 5.3-5.9 HD3 ARG 34 - H GLN 53 far 0 100 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 262 from nnoeabs.peaks (3.53, 8.03, 118.15 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.96: * HB3 PHE 52 + H GLN 53 OK 96 100 100 96 2.5-3.7 1.8/261=68, 3558=65...(4) HB2 TRP 51 - H GLN 53 far 0 63 0 - 4.5-4.9 HD2 ARG 34 - H GLN 53 far 0 93 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 265 from nnoeabs.peaks (8.03, 8.29, 117.45 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + H ASN 54 OK 100 100 100 100 2.5-3.0 903=100, 2631/267=42...(9) Violated in 0 structures by 0.00 A. Peak 266 from nnoeabs.peaks (3.94, 8.29, 117.45 ppm; 4.24 A): 3 out of 6 assignments used, quality = 1.00: * HA GLN 53 + H ASN 54 OK 100 100 100 100 3.6-3.6 3.6=100 HB2 SER 66 + H SER 66 OK 50 50 100 100 2.2-3.9 4.0=100 HB2 SER 65 + H SER 66 OK 32 49 80 83 2.0-4.6 4.5=82, 3640/4.7=1 HA GLN 53 - H SER 66 far 0 51 0 - 8.1-22.8 HA GLN 47 - H ASN 54 far 0 81 0 - 8.2-8.7 HB2 SER 65 - H ASN 54 far 0 99 0 - 9.5-25.0 Violated in 0 structures by 0.00 A. Peak 267 from nnoeabs.peaks (2.15, 8.29, 117.45 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.88: * HB2 GLN 53 + H ASN 54 OK 88 100 90 98 2.3-3.6 1.8/268=57, 3562=49...(9) HB2 LYS 49 - H ASN 54 far 0 76 0 - 7.3-8.2 HB2 GLN 53 - H SER 66 far 0 51 0 - 7.8-24.1 HB VAL 48 - H ASN 54 far 0 93 0 - 9.6-10.1 Violated in 3 structures by 0.03 A. Peak 268 from nnoeabs.peaks (2.22, 8.29, 117.45 ppm; 3.85 A increased from 3.62 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 53 + H ASN 54 OK 100 100 100 100 2.1-3.9 3563=87, 1.8/267=86...(8) HG3 GLU 67 - H SER 66 far 1 27 5 - 3.9-8.1 HG2 ARG 56 - H ASN 54 far 0 83 0 - 6.4-8.4 HG2 ARG 56 - H SER 66 far 0 36 0 - 7.7-20.8 HG3 GLU 67 - H ASN 54 far 0 65 0 - 8.3-32.2 HB3 GLN 53 - H SER 66 far 0 51 0 - 9.4-25.5 Violated in 1 structures by 0.00 A. Peak 269 from nnoeabs.peaks (2.44, 8.29, 117.45 ppm; 4.35 A increased from 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + H ASN 54 OK 100 100 100 100 2.7-4.1 3.0/267=79, 3564=76...(7) Violated in 0 structures by 0.00 A. Peak 270 from nnoeabs.peaks (2.37, 8.29, 117.45 ppm; 4.88 A increased from 4.33 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 53 + H ASN 54 OK 100 100 100 100 3.6-4.6 1.8/269=90, 3.0/267=90...(7) HG3 GLN 63 - H SER 66 far 2 48 5 - 2.2-11.0 HG2 GLN 63 - H SER 66 far 2 47 5 - 3.7-11.2 HG3 GLN 53 - H SER 66 far 0 51 0 - 9.2-24.5 HG2 MET 11 - H ASN 54 far 0 87 0 - 9.6-12.0 HG2 GLN 63 - H ASN 54 far 0 97 0 - 9.8-21.3 Violated in 0 structures by 0.00 A. Peak 273 from nnoeabs.peaks (8.29, 8.07, 122.80 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 54 + H ARG 55 OK 100 100 100 100 2.6-3.0 904=100, 759/276=47...(6) H TRP 51 - H ARG 55 far 0 60 0 - 5.7-6.2 H LYS 62 - H ARG 55 far 0 99 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 274 from nnoeabs.peaks (4.36, 8.07, 122.80 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 54 + H ARG 55 OK 100 100 100 100 3.6-3.6 3.6=100 HA LYS 49 - H ARG 55 far 0 65 0 - 7.9-8.5 HA LEU 68 - H ARG 55 far 0 99 0 - 10.0-30.4 Violated in 0 structures by 0.00 A. Peak 275 from nnoeabs.peaks (2.48, 8.07, 122.80 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 54 + H ARG 55 OK 100 100 100 100 3.1-3.5 3567=88, 1.8/276=84...(4) HG2 GLU 20 - H ARG 55 far 0 96 0 - 8.1-9.2 HG3 MET 11 - H ARG 55 far 0 98 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 276 from nnoeabs.peaks (2.65, 8.07, 122.80 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 54 + H ARG 55 OK 98 100 100 98 2.3-2.6 3568=77, 1.8/275=66...(4) Violated in 0 structures by 0.00 A. Peak 279 from nnoeabs.peaks (8.07, 7.75, 117.78 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 55 + H ARG 56 OK 99 100 100 99 2.7-3.0 905=95, 764/281=37...(6) Violated in 0 structures by 0.00 A. Peak 280 from nnoeabs.peaks (3.43, 7.75, 117.78 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + H ARG 56 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 281 from nnoeabs.peaks (0.65, 7.75, 117.78 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.97: * HB2 ARG 55 + H ARG 56 OK 97 100 100 97 2.6-3.5 4.7=80, 764/279=64...(4) HG2 LYS 27 - H ARG 56 far 0 87 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 282 from nnoeabs.peaks (-0.28, 7.75, 117.78 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + H ARG 56 OK 100 100 100 100 2.6-3.8 4.7=100 HG2 ARG 55 - H ARG 56 far 0 100 0 - 4.8-5.3 QD1 LEU 19 - H ARG 56 far 0 100 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 287 from nnoeabs.peaks (7.75, 7.56, 119.05 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.97: * H ARG 56 + H TYR 57 OK 97 100 100 97 2.4-2.7 906=83, 773/290=44...(5) H THR 59 - H TYR 57 far 12 78 15 - 3.5-4.0 QD PHE 52 - H TYR 57 far 0 100 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 288 from nnoeabs.peaks (4.08, 7.56, 119.05 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 56 + H TYR 57 OK 100 100 100 100 3.4-3.5 3.6=100 HA LYS 58 - H TYR 57 far 0 63 0 - 5.0-5.3 HA ARG 21 - H GLU 18 far 0 72 0 - 7.4-7.7 HA LEU 37 - H GLU 18 far 0 56 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 289 from nnoeabs.peaks (1.72, 7.56, 119.05 ppm; 4.23 A): 1 out of 7 assignments used, quality = 0.99: * HB2 ARG 56 + H TYR 57 OK 99 100 100 99 3.2-3.9 1.8/290=91, 4.6=77...(4) HB3 LYS 58 - H TYR 57 far 0 97 0 - 4.4-4.9 HB3 ARG 61 - H TYR 57 far 0 99 0 - 6.0-13.2 HG2 LYS 22 - H GLU 18 far 0 74 0 - 8.6-10.1 HD2 LYS 49 - H TYR 57 far 0 87 0 - 8.8-13.2 HD3 LYS 49 - H TYR 57 far 0 85 0 - 9.4-13.6 HD2 LYS 42 - H GLU 18 far 0 76 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 290 from nnoeabs.peaks (2.04, 7.56, 119.05 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.90: * HB3 ARG 56 + H TYR 57 OK 90 100 100 90 2.7-3.2 1.8/289=55, 773/287=46...(4) HB3 GLU 20 - H GLU 18 far 0 75 0 - 5.0-5.3 HB2 LYS 22 - H GLU 18 far 0 56 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 295 from nnoeabs.peaks (7.56, 7.68, 119.80 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + H LYS 58 OK 100 100 100 100 2.3-2.7 907=100, 780/297=45...(8) Violated in 0 structures by 0.00 A. Peak 296 from nnoeabs.peaks (4.44, 7.68, 119.80 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + H LYS 58 OK 100 100 100 100 3.5-3.5 3.6=100 HA SER 65 - H LYS 58 far 0 100 0 - 6.2-20.9 HA SER 66 - H LYS 58 far 0 95 0 - 9.1-23.3 Violated in 0 structures by 0.00 A. Peak 297 from nnoeabs.peaks (3.09, 7.68, 119.80 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + H LYS 58 OK 100 100 100 100 2.7-3.1 4.7=80, 1.8/298=77...(6) Violated in 0 structures by 0.00 A. Peak 298 from nnoeabs.peaks (3.17, 7.68, 119.80 ppm; 4.33 A increased from 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 57 + H LYS 58 OK 100 100 100 100 4.0-4.2 4.7=81, 1.8/297=78...(6) HD3 ARG 61 - H LYS 58 far 0 71 0 - 7.0-14.1 HD2 ARG 61 - H LYS 58 far 0 71 0 - 8.3-13.1 Violated in 0 structures by 0.00 A. Peak 300 from nnoeabs.peaks (7.14, 7.68, 119.80 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + H LYS 58 OK 100 100 100 100 2.9-3.5 4.6=100 HD1 TRP 51 - H LYS 58 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 301 from nnoeabs.peaks (7.68, 7.72, 113.00 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + H THR 59 OK 100 100 100 100 2.3-2.5 908=100, 3.0/302=48...(9) Violated in 0 structures by 0.00 A. Peak 302 from nnoeabs.peaks (4.11, 7.72, 113.00 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 58 + H THR 59 OK 100 100 100 100 3.3-3.4 3.6=94, 3.0/908=64...(7) HA ARG 56 + H THR 59 OK 29 63 95 49 3.3-3.6 4841/797=31, 3843/908=18, 2737=9 Violated in 0 structures by 0.00 A. Peak 303 from nnoeabs.peaks (1.80, 7.72, 113.00 ppm; 4.32 A increased from 4.07 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + H THR 59 OK 100 100 100 100 3.9-4.3 4.6=82, 1.8/304=81...(8) HB3 LYS 60 - H THR 59 far 0 73 0 - 4.5-7.1 HB2 LYS 62 - H THR 59 far 0 68 0 - 4.6-13.4 HB3 LYS 62 - H THR 59 far 0 65 0 - 4.9-12.4 HB2 ARG 61 - H THR 59 far 0 98 0 - 5.6-9.4 Violated in 0 structures by 0.00 A. Peak 304 from nnoeabs.peaks (1.73, 7.72, 113.00 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + H THR 59 OK 100 100 100 100 3.1-4.3 787/908=77, 4.6=74...(8) HB3 ARG 61 - H THR 59 far 0 100 0 - 4.7-10.1 HB2 ARG 56 - H THR 59 far 0 97 0 - 4.8-5.8 Violated in 4 structures by 0.01 A. Peak 305 from nnoeabs.peaks (1.36, 7.72, 113.00 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + H THR 59 OK 100 100 100 100 2.7-5.4 3591=100, 2.8/304=89...(6) HD3 LYS 27 - H THR 59 far 0 68 0 - 7.7-10.0 Violated in 0 structures by 0.00 A. Peak 311 from nnoeabs.peaks (7.72, 7.98, 123.03 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H THR 59 + H LYS 60 OK 100 100 100 100 2.4-4.6 4.6=100 H ARG 56 - H LYS 60 far 0 78 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 312 from nnoeabs.peaks (4.26, 7.98, 123.03 ppm; 3.49 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 60 + H LYS 60 OK 100 100 100 100 2.3-2.9 3.0=100 * HA THR 59 + H LYS 60 OK 97 100 100 97 2.2-3.6 3.6=95, 4681/3.8=26...(4) HB THR 59 - H LYS 60 poor 19 81 40 59 2.1-4.5 4.7=42, ~4881=18, 795/4.6=13 HA ARG 61 - H LYS 60 far 0 87 0 - 4.6-6.4 HA LYS 62 - H LYS 60 far 0 100 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 313 from nnoeabs.peaks (4.28, 7.98, 123.03 ppm; 3.43 A): 3 out of 4 assignments used, quality = 0.97: HA LYS 60 + H LYS 60 OK 87 87 100 100 2.3-2.9 3.0=100 HA THR 59 + H LYS 60 OK 68 81 90 94 2.2-3.6 3.6=90, 4681/3.8=18...(4) * HB THR 59 + H LYS 60 OK 23 100 40 58 2.1-4.5 4.7=40, ~4881=17, 796/4.6=15 HA LYS 62 - H LYS 60 far 0 76 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 314 from nnoeabs.peaks (1.29, 7.98, 123.03 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + H LYS 60 OK 100 100 100 100 2.0-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 316 from nnoeabs.peaks (4.26, 8.17, 121.81 ppm; 3.24 A): 2 out of 5 assignments used, quality = 0.89: HA ARG 61 + H ARG 61 OK 81 81 100 100 2.3-2.9 3.0=100 * HA LYS 60 + H ARG 61 OK 44 100 50 88 2.3-3.6 3.6=75, 3.0/318=38...(5) HB THR 59 - H ARG 61 far 13 87 15 - 2.3-6.6 HA THR 59 - H ARG 61 far 0 100 0 - 3.4-7.0 HA LYS 62 - H ARG 61 far 0 100 0 - 4.6-6.4 Violated in 0 structures by 0.00 A. Peak 317 from nnoeabs.peaks (1.83, 8.17, 121.81 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.76: HB2 ARG 61 + H ARG 61 OK 65 73 90 99 2.2-4.0 4.0=80, 1.8/811=76...(11) * HB2 LYS 60 + H ARG 61 OK 32 100 45 72 2.3-4.4 4.4=62, 3.0/316=23 HB2 LYS 62 - H ARG 61 far 0 99 0 - 4.2-7.7 Violated in 0 structures by 0.00 A. Peak 318 from nnoeabs.peaks (1.78, 8.17, 121.81 ppm; 4.06 A increased from 3.82 A): 1 out of 3 assignments used, quality = 0.86: * HB3 LYS 60 + H ARG 61 OK 86 100 100 86 2.7-4.1 4.4=80, 3.0/316=26 HB3 LYS 62 - H ARG 61 far 0 100 0 - 4.5-7.6 HB2 LYS 58 - H ARG 61 far 0 73 0 - 5.3-10.5 Violated in 2 structures by 0.00 A. Peak 326 from nnoeabs.peaks (4.24, 8.30, 122.70 ppm; 3.10 A): 2 out of 4 assignments used, quality = 0.96: HA LYS 62 + H LYS 62 OK 90 90 100 100 2.3-2.9 2.9=100 * HA ARG 61 + H LYS 62 OK 55 100 65 85 2.2-3.6 3.6=65, 3.0/328=36...(5) HA LYS 60 - H LYS 62 far 0 81 0 - 3.4-6.7 HA THR 59 - H LYS 62 far 0 87 0 - 4.9-10.5 Violated in 0 structures by 0.00 A. Peak 327 from nnoeabs.peaks (1.81, 8.30, 122.70 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.89: HB2 LYS 62 + H LYS 62 OK 77 89 90 97 2.2-4.1 4.0=82, 3073/2.9=26...(17) * HB2 ARG 61 + H LYS 62 OK 52 100 55 95 2.3-4.5 1.8/328=70, 4.6=54...(6) HB2 LYS 60 - H LYS 62 far 4 73 5 - 2.5-7.9 HB2 LYS 58 - H LYS 62 far 0 98 0 - 7.1-12.6 Violated in 0 structures by 0.00 A. Peak 328 from nnoeabs.peaks (1.73, 8.30, 122.70 ppm; 3.92 A increased from 3.69 A): 1 out of 3 assignments used, quality = 0.84: * HB3 ARG 61 + H LYS 62 OK 84 100 90 93 2.1-4.1 4.6=60, 3.0/3609=41...(6) HB2 ARG 56 - H LYS 62 far 0 99 0 - 5.7-13.3 HB3 LYS 58 - H LYS 62 far 0 100 0 - 7.1-12.9 Violated in 2 structures by 0.02 A. Peak 329 from nnoeabs.peaks (1.60, 8.30, 122.70 ppm; 5.14 A increased from 4.84 A): 2 out of 4 assignments used, quality = 0.99: * HG2 ARG 61 + H LYS 62 OK 95 100 95 100 2.0-5.4 5.0=100 HG3 ARG 61 + H LYS 62 OK 85 100 85 100 3.0-5.9 5.0=100 HB3 LEU 64 - H LYS 62 far 0 81 0 - 6.2-10.6 HG LEU 68 - H LYS 62 far 0 85 0 - 6.9-22.3 Violated in 0 structures by 0.00 A. Peak 330 from nnoeabs.peaks (1.59, 8.30, 122.70 ppm; 5.14 A increased from 4.84 A): 2 out of 4 assignments used, quality = 0.99: HG2 ARG 61 + H LYS 62 OK 95 100 95 100 2.0-5.4 5.0=100 * HG3 ARG 61 + H LYS 62 OK 85 100 85 100 3.0-5.9 5.0=100 HB3 LEU 64 - H LYS 62 far 0 78 0 - 6.2-10.6 HG LEU 68 - H LYS 62 far 0 83 0 - 6.9-22.3 Violated in 0 structures by 0.00 A. Peak 333 from nnoeabs.peaks (8.30, 8.38, 121.72 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 62 + H GLN 63 OK 100 100 100 100 2.1-4.6 4.6=100 H SER 66 - H GLN 63 far 12 81 15 - 3.7-9.6 Violated in 0 structures by 0.00 A. Peak 334 from nnoeabs.peaks (4.26, 8.38, 121.72 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.88: * HA LYS 62 + H GLN 63 OK 88 100 100 88 2.1-3.3 3.6=78, 3.0/335=36...(4) HA ARG 61 - H GLN 63 poor 18 90 20 - 3.2-6.7 HB THR 59 - H GLN 63 far 0 76 0 - 4.3-11.9 HA LYS 60 - H GLN 63 far 0 100 0 - 5.8-9.1 HA THR 59 - H GLN 63 far 0 100 0 - 7.0-13.1 Violated in 2 structures by 0.00 A. Peak 335 from nnoeabs.peaks (1.83, 8.38, 121.72 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 62 + H GLN 63 OK 100 100 100 100 2.1-4.3 4.3=97, 3.0/334=79, 818/4.6=31 HB2 ARG 61 - H GLN 63 far 13 89 15 - 2.1-7.8 HB2 LYS 60 - H GLN 63 far 0 99 0 - 5.9-10.1 HB2 LYS 58 - H GLN 63 far 0 68 0 - 9.6-16.0 Violated in 1 structures by 0.00 A. Peak 336 from nnoeabs.peaks (1.77, 8.38, 121.72 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 62 + H GLN 63 OK 100 100 100 100 3.0-4.4 4.3=100 HB3 LYS 60 - H GLN 63 far 0 100 0 - 6.1-11.1 HB2 LYS 58 - H GLN 63 far 0 65 0 - 9.6-16.0 Violated in 2 structures by 0.00 A. Peak 343 from nnoeabs.peaks (8.38, 8.38, 123.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: H LEU 64 + H LEU 64 OK 98 98 - 100 Reference assignment not found: H GLN 63 - H LEU 64 Peak 344 from nnoeabs.peaks (4.31, 8.38, 123.55 ppm; 3.69 A increased from 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 63 + H LEU 64 OK 100 100 100 100 2.2-3.6 3.6=100 HA GLU 67 - H LEU 64 far 0 100 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 345 from nnoeabs.peaks (2.08, 8.38, 123.55 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 63 + H LEU 64 OK 100 100 100 100 2.0-4.2 4.6=100 HB2 GLU 67 - H LEU 64 far 0 98 0 - 7.5-11.9 Violated in 0 structures by 0.00 A. Peak 346 from nnoeabs.peaks (2.00, 8.38, 123.55 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 63 + H LEU 64 OK 100 100 100 100 2.6-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 351 from nnoeabs.peaks (8.38, 8.35, 116.28 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 64 + H SER 65 OK 96 100 100 96 2.1-3.2 914=87, 836/4.4=35...(9) H GLN 63 - H SER 65 far 10 98 10 - 3.5-6.8 H GLU 67 - H SER 65 far 0 92 0 - 4.8-7.9 Violated in 0 structures by 0.00 A. Peak 352 from nnoeabs.peaks (4.37, 8.35, 116.28 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + H SER 65 OK 100 100 100 100 2.3-3.6 3.6=100 HA LEU 68 - H SER 65 far 0 97 0 - 7.1-11.7 Violated in 0 structures by 0.00 A. Peak 353 from nnoeabs.peaks (1.66, 8.35, 116.28 ppm; 5.02 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + H SER 65 OK 100 100 100 100 2.0-4.7 4.4=100 HG LEU 64 + H SER 65 OK 66 78 85 98 3.4-6.0 2.1/3635=80, 2.1/3634=74...(4) HD3 LYS 62 - H SER 65 far 15 99 15 - 3.7-11.6 HD2 LYS 62 - H SER 65 far 10 98 10 - 4.3-11.3 HD2 LYS 60 - H SER 65 far 0 97 0 - 6.3-17.3 HD3 LYS 60 - H SER 65 far 0 98 0 - 6.8-16.0 HB2 LEU 68 - H SER 65 far 0 71 0 - 7.3-12.5 Violated in 0 structures by 0.00 A. Peak 354 from nnoeabs.peaks (1.62, 8.35, 116.28 ppm; 4.88 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + H SER 65 OK 100 100 100 100 2.2-4.3 4.4=100 HG LEU 64 + H SER 65 OK 50 78 65 98 3.4-6.0 2.1/3635=76, 2.1/3634=70...(5) HG3 ARG 61 - H SER 65 far 0 78 0 - 5.7-13.4 HG2 ARG 61 - H SER 65 far 0 81 0 - 6.2-13.0 HB2 LEU 68 - H SER 65 far 0 85 0 - 7.3-12.5 HB3 LEU 68 - H SER 65 far 0 93 0 - 7.5-13.3 HG LEU 68 - H SER 65 far 0 100 0 - 8.0-13.5 Violated in 0 structures by 0.00 A. Peak 355 from nnoeabs.peaks (1.64, 8.35, 116.28 ppm; 4.88 A): 3 out of 6 assignments used, quality = 0.98: HB2 LEU 64 + H SER 65 OK 78 78 100 100 2.0-4.7 4.4=100 HB3 LEU 64 + H SER 65 OK 78 78 100 100 2.2-4.3 4.4=100 * HG LEU 64 + H SER 65 OK 64 100 65 98 3.4-6.0 2.1/3635=76, 2.1/3634=70...(5) HB2 LEU 68 - H SER 65 far 0 100 0 - 7.3-12.5 HB3 LEU 68 - H SER 65 far 0 99 0 - 7.5-13.3 HG LEU 68 - H SER 65 far 0 73 0 - 8.0-13.5 Violated in 0 structures by 0.00 A. Peak 358 from nnoeabs.peaks (8.35, 8.28, 117.12 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: * H SER 65 + H SER 66 OK 100 100 100 100 2.4-4.6 4.6=100 H GLN 63 - H SER 66 far 12 81 15 - 3.7-9.6 Violated in 0 structures by 0.00 A. Peak 359 from nnoeabs.peaks (4.43, 8.28, 117.12 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 65 + H SER 66 OK 100 100 100 100 2.1-3.6 3.6=100 HA SER 66 + H SER 66 OK 90 90 100 100 2.3-2.9 3.0=100 HA TYR 57 - H SER 66 far 0 100 0 - 4.8-18.9 HA TYR 57 - H ASN 54 far 0 50 0 - 6.9-7.3 HA SER 65 - H ASN 54 far 0 51 0 - 10.0-24.1 Violated in 0 structures by 0.00 A. Peak 360 from nnoeabs.peaks (3.93, 8.28, 117.12 ppm; 4.87 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 65 + H SER 66 OK 100 100 100 100 2.0-4.6 4.5=100 HB2 SER 66 + H SER 66 OK 96 96 100 100 2.2-3.9 4.0=100 HA GLN 53 + H ASN 54 OK 49 49 100 100 3.6-3.6 3.6=100 HA GLN 53 - H SER 66 far 0 99 0 - 8.1-22.8 HA GLN 47 - H ASN 54 far 0 25 0 - 8.2-8.7 HA LYS 27 - H ASN 54 far 0 25 0 - 9.5-10.9 HB2 SER 65 - H ASN 54 far 0 51 0 - 9.5-25.0 HA THR 46 - H ASN 54 far 0 27 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 361 from nnoeabs.peaks (3.87, 8.28, 117.12 ppm; 4.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 65 + H SER 66 OK 100 100 100 100 2.1-4.5 4.5=100 HB3 SER 66 + H SER 66 OK 100 100 100 100 2.3-4.0 4.0=100 HB3 SER 65 - H ASN 54 far 0 51 0 - 9.2-23.8 Violated in 0 structures by 0.00 A. Peak 363 from nnoeabs.peaks (4.45, 8.40, 122.42 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 66 + H GLU 67 OK 100 100 100 100 2.1-3.5 3.6=100 HA SER 65 - H GLU 67 far 0 90 0 - 3.9-6.5 HA TYR 57 - H GLU 67 far 0 95 0 - 6.2-22.9 Violated in 0 structures by 0.00 A. Peak 364 from nnoeabs.peaks (3.94, 8.40, 122.42 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 66 + H GLU 67 OK 100 100 100 100 3.2-4.6 4.4=100 HB2 SER 65 - H GLU 67 lone 4 96 25 15 3.1-7.9 266/4.7=10, 3640=3 HA GLN 53 - H GLU 67 far 0 100 0 - 9.8-27.3 Violated in 0 structures by 0.00 A. Peak 365 from nnoeabs.peaks (3.87, 8.40, 122.42 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 66 + H GLU 67 OK 100 100 100 100 2.5-4.4 4.4=100 HB3 SER 65 - H GLU 67 lone 1 100 25 5 2.4-8.2 1.8/364=3 Violated in 0 structures by 0.00 A. Peak 366 from nnoeabs.peaks (8.40, 8.14, 122.19 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 67 + H LEU 68 OK 99 100 100 99 2.1-4.2 917=89, 3.0/367=74...(4) H GLN 63 - H LEU 68 far 0 73 0 - 7.5-14.2 H LEU 64 - H LEU 68 far 0 92 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 367 from nnoeabs.peaks (4.31, 8.14, 122.19 ppm; 3.55 A increased from 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + H LEU 68 OK 100 100 100 100 2.1-3.4 3.6=98, 3.0/366=43...(4) HA GLN 63 - H LEU 68 far 0 100 0 - 8.1-13.6 Violated in 0 structures by 0.00 A. Peak 368 from nnoeabs.peaks (2.09, 8.14, 122.19 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 67 + H LEU 68 OK 100 100 100 100 3.2-4.6 4.7=100 HB2 GLN 63 - H LEU 68 far 0 98 0 - 8.0-14.9 Violated in 0 structures by 0.00 A. Peak 369 from nnoeabs.peaks (1.96, 8.14, 122.19 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + H LEU 68 OK 100 100 100 100 3.3-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 372 from nnoeabs.peaks (8.14, 7.90, 115.34 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 68 + H GLY 69 OK 100 100 100 100 2.4-4.6 4.6=100 H ARG 61 - H GLY 69 far 0 57 0 - 8.4-22.0 Violated in 0 structures by 0.00 A. Peak 373 from nnoeabs.peaks (4.36, 7.90, 115.34 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 68 + H GLY 69 OK 100 100 100 100 2.1-3.6 3.6=100 HA ASN 54 - H GLY 69 far 0 99 0 - 8.1-29.5 HA LEU 64 - H GLY 69 far 0 97 0 - 9.3-14.9 Violated in 0 structures by 0.00 A. Peak 374 from nnoeabs.peaks (1.64, 7.90, 115.34 ppm; 4.97 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 68 + H GLY 69 OK 100 100 100 100 2.9-4.6 4.3=100 HB3 LEU 68 + H GLY 69 OK 100 100 100 100 2.2-4.4 4.3=100 HG LEU 68 + H GLY 69 OK 51 81 90 71 2.0-5.2 2.1/3651=42, 2.1/3651=37...(4) HG LEU 64 - H GLY 69 far 0 100 0 - 7.6-17.3 HB3 LEU 64 - H GLY 69 far 0 85 0 - 8.5-16.5 HB2 LEU 64 - H GLY 69 far 0 71 0 - 9.0-17.0 Violated in 0 structures by 0.00 A. Peak 375 from nnoeabs.peaks (1.63, 7.90, 115.34 ppm; 4.97 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 68 + H GLY 69 OK 100 100 100 100 2.2-4.4 4.3=100 HB2 LEU 68 + H GLY 69 OK 100 100 100 100 2.9-4.6 4.3=100 HG LEU 68 + H GLY 69 OK 58 90 90 72 2.0-5.2 2.1/3651=42, 2.1/3651=37...(4) HG LEU 64 - H GLY 69 far 0 99 0 - 7.6-17.3 HB3 LEU 64 - H GLY 69 far 0 93 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 379 from nnoeabs.peaks (8.02, 7.29, 110.97 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HD21 ASN 40 OK 100 100 100 100 4.0-4.4 662=86, 660/3.5=78...(6) H HIS 36 - HD21 ASN 40 far 0 63 0 - 6.6-7.3 H LYS 22 - HD21 ASN 40 far 0 96 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 380 from nnoeabs.peaks (4.37, 7.29, 110.97 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 40 + HD21 ASN 40 OK 100 100 100 100 4.3-4.4 4.4=100 HA LYS 22 - HD21 ASN 40 far 0 81 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 381 from nnoeabs.peaks (2.76, 7.29, 110.97 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HD21 ASN 40 OK 100 100 100 100 2.3-2.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 382 from nnoeabs.peaks (2.70, 7.29, 110.97 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HD21 ASN 40 OK 100 100 100 100 2.6-2.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 383 from nnoeabs.peaks (7.29, 7.29, 110.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HD21 ASN 40 OK 100 100 - 100 Peak 384 from nnoeabs.peaks (6.52, 7.29, 110.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HD21 ASN 40 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 385 from nnoeabs.peaks (8.02, 6.52, 110.97 ppm; 4.93 A increased from 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 40 + HD22 ASN 40 OK 100 100 100 100 4.8-4.9 379/1.7=91, 660/3.5=89...(5) H HIS 36 - HD22 ASN 40 far 0 63 0 - 7.1-7.4 Violated in 2 structures by 0.00 A. Peak 386 from nnoeabs.peaks (4.37, 6.52, 110.97 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HD22 ASN 40 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 387 from nnoeabs.peaks (2.76, 6.52, 110.97 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HD22 ASN 40 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 388 from nnoeabs.peaks (2.70, 6.52, 110.97 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HD22 ASN 40 OK 100 100 100 100 3.6-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 389 from nnoeabs.peaks (7.29, 6.52, 110.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HD22 ASN 40 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 390 from nnoeabs.peaks (6.52, 6.52, 110.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HD22 ASN 40 OK 100 100 - 100 Peak 391 from nnoeabs.peaks (8.29, 7.49, 112.83 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + HD21 ASN 54 OK 100 100 100 100 2.8-4.5 760=100, 759/3.4=83...(6) H TRP 51 - HD21 ASN 54 far 6 60 10 - 4.6-6.5 Violated in 0 structures by 0.00 A. Peak 392 from nnoeabs.peaks (4.36, 7.49, 112.83 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 54 + HD21 ASN 54 OK 100 100 100 100 3.9-4.4 4.5=100 HA LYS 49 - HD21 ASN 54 far 0 65 0 - 7.8-10.2 HA LYS 22 - H TYR 28 far 0 55 0 - 8.1-9.9 HA LYS 49 - H TYR 28 far 0 29 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 393 from nnoeabs.peaks (2.48, 7.49, 112.83 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 54 + HD21 ASN 54 OK 100 100 100 100 2.4-3.4 3.4=100 HG3 MET 11 - HD21 ASN 54 far 0 98 0 - 6.8-10.7 HG3 GLN 15 - HD21 ASN 54 far 0 97 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 394 from nnoeabs.peaks (2.65, 7.49, 112.83 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HD21 ASN 54 OK 100 100 100 100 2.1-2.7 3.4=100 Violated in 0 structures by 0.00 A. Peak 395 from nnoeabs.peaks (7.49, 7.49, 112.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HD21 ASN 54 OK 100 100 - 100 H TYR 28 + H TYR 28 OK 45 45 - 100 Peak 396 from nnoeabs.peaks (6.91, 7.49, 112.83 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 54 + HD21 ASN 54 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 53 - HD21 ASN 54 far 0 68 0 - 4.4-10.2 HE21 GLN 47 - HD21 ASN 54 far 0 100 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 397 from nnoeabs.peaks (8.29, 6.91, 112.83 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + HD22 ASN 54 OK 100 100 100 100 4.0-4.9 760/1.7=89, 5.1=88...(5) H TRP 51 - HD22 ASN 54 far 0 60 0 - 5.2-7.1 Violated in 0 structures by 0.00 A. Peak 398 from nnoeabs.peaks (4.36, 6.91, 112.83 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 54 + HD22 ASN 54 OK 100 100 100 100 4.2-4.7 4.5=100 HA LYS 49 - HD22 ASN 54 far 0 65 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 399 from nnoeabs.peaks (2.48, 6.91, 112.83 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 54 + HD22 ASN 54 OK 100 100 100 100 3.6-4.0 3.4=100 HG3 MET 11 - HD22 ASN 54 far 0 98 0 - 7.5-11.8 Violated in 0 structures by 0.00 A. Peak 400 from nnoeabs.peaks (2.65, 6.91, 112.83 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HD22 ASN 54 OK 100 100 100 100 3.4-3.7 3.4=100 Violated in 0 structures by 0.00 A. Peak 401 from nnoeabs.peaks (7.49, 6.91, 112.83 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HD22 ASN 54 OK 100 100 100 100 1.7-1.7 1.7=100 HE22 GLN 53 - HD22 ASN 54 far 0 92 0 - 5.3-10.7 Violated in 0 structures by 0.00 A. Peak 402 from nnoeabs.peaks (6.91, 6.91, 112.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 54 + HD22 ASN 54 OK 100 100 - 100 Peak 405 from nnoeabs.peaks (2.50, 7.79, 112.24 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.96: HG3 GLN 15 + HE21 GLN 15 OK 81 85 95 100 2.8-3.9 3.5=100 * HB2 GLN 15 + HE21 GLN 15 OK 78 100 85 92 2.4-4.2 4.6=54, 413/1.7=32...(10) HG3 MET 11 - HE21 GLN 15 far 4 83 5 - 3.7-7.6 Violated in 0 structures by 0.00 A. Peak 406 from nnoeabs.peaks (1.63, 7.79, 112.24 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.97: HB2 LEU 41 + HE21 GLN 15 OK 90 90 100 100 2.7-3.7 414/1.7=73, 1.8/4435=55...(19) * HB3 GLN 15 + HE21 GLN 15 OK 64 100 65 99 3.7-5.2 4.6=79, 1.8/405=43...(11) HD3 LYS 42 - HE21 GLN 15 poor 19 65 45 66 4.1-7.6 3.8/4032=50, 3.8/4468=31 Violated in 0 structures by 0.00 A. Peak 407 from nnoeabs.peaks (2.30, 7.79, 112.24 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HE21 GLN 15 OK 100 100 100 100 2.1-3.4 3.5=100 HG2 GLU 18 - HE21 GLN 15 far 0 78 0 - 5.1-6.5 Violated in 0 structures by 0.00 A. Peak 408 from nnoeabs.peaks (2.48, 7.79, 112.24 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.98: * HG3 GLN 15 + HE21 GLN 15 OK 95 100 95 100 2.8-3.9 3.5=100 HB2 GLN 15 + HE21 GLN 15 OK 66 85 85 91 2.4-4.2 4.6=54, 416/1.7=27...(10) HG3 MET 11 - HE21 GLN 15 far 5 100 5 - 3.7-7.6 Violated in 0 structures by 0.00 A. Peak 409 from nnoeabs.peaks (7.79, 7.79, 112.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HE21 GLN 15 OK 100 100 - 100 Peak 410 from nnoeabs.peaks (6.69, 7.79, 112.24 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HE21 GLN 15 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 413 from nnoeabs.peaks (2.50, 6.69, 112.24 ppm; 4.22 A increased from 3.97 A): 2 out of 3 assignments used, quality = 0.99: * HB2 GLN 15 + HE22 GLN 15 OK 93 100 95 98 3.6-4.4 4.6=77, 405/1.7=43...(9) HG3 GLN 15 + HE22 GLN 15 OK 85 85 100 100 3.2-4.1 3.5=100 HG3 MET 11 - HE22 GLN 15 poor 17 83 20 - 3.1-6.9 Violated in 0 structures by 0.00 A. Peak 414 from nnoeabs.peaks (1.63, 6.69, 112.24 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.90: HB2 LEU 41 + HE22 GLN 15 OK 90 90 100 100 3.7-4.3 ~4435=54, 4442/3.5=47...(20) HD3 LYS 42 - HE22 GLN 15 poor 16 65 25 - 4.1-7.4 ! HB3 GLN 15 - HE22 GLN 15 far 10 100 10 - 4.2-4.9 Violated in 0 structures by 0.00 A. Peak 415 from nnoeabs.peaks (2.30, 6.69, 112.24 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HE22 GLN 15 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLU 18 - HE22 GLN 15 far 0 78 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 416 from nnoeabs.peaks (2.48, 6.69, 112.24 ppm; 4.21 A increased from 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 15 + HE22 GLN 15 OK 100 100 100 100 3.2-4.1 3.5=100 HB2 GLN 15 + HE22 GLN 15 OK 78 85 95 97 3.6-4.4 4.6=77, 408/1.7=36...(9) HG3 MET 11 - HE22 GLN 15 poor 20 100 20 - 3.1-6.9 Violated in 0 structures by 0.00 A. Peak 417 from nnoeabs.peaks (7.79, 6.69, 112.24 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HE22 GLN 15 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 418 from nnoeabs.peaks (6.69, 6.69, 112.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HE22 GLN 15 OK 100 100 - 100 Peak 421 from nnoeabs.peaks (2.02, 7.40, 113.37 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.8-4.6 4.6=96, 1571/1.7=63...(14) * HB2 GLN 26 + HE21 GLN 26 OK 35 100 35 100 4.0-5.3 4.6=96, ~1579=47...(14) Violated in 0 structures by 0.00 A. Peak 422 from nnoeabs.peaks (2.02, 7.40, 113.37 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.8-4.6 4.6=96, 1571/1.7=63...(14) HB2 GLN 26 + HE21 GLN 26 OK 35 100 35 100 4.0-5.3 4.6=96, ~1579=47...(14) Violated in 0 structures by 0.00 A. Peak 423 from nnoeabs.peaks (2.29, 7.40, 113.37 ppm; 3.86 A increased from 3.64 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.4-3.9 3.5=100 * HG2 GLN 26 + HE21 GLN 26 OK 65 100 65 100 3.4-4.1 3.5=100 HB3 GLU 33 - HE21 GLN 26 far 0 60 0 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 424 from nnoeabs.peaks (2.29, 7.40, 113.37 ppm; 3.86 A increased from 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.4-3.9 3.5=100 HG2 GLN 26 + HE21 GLN 26 OK 65 100 65 100 3.4-4.1 3.5=100 HB3 GLU 33 - HE21 GLN 26 far 0 63 0 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 425 from nnoeabs.peaks (7.40, 7.40, 113.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 26 + HE21 GLN 26 OK 100 100 - 100 Peak 426 from nnoeabs.peaks (7.64, 7.40, 113.37 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 26 + HE21 GLN 26 OK 100 100 100 100 1.7-1.7 1.7=100 H HIS 25 - HE21 GLN 26 far 0 97 0 - 5.2-8.6 Violated in 0 structures by 0.00 A. Peak 429 from nnoeabs.peaks (2.02, 7.64, 113.37 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.86: HB3 GLN 26 + HE22 GLN 26 OK 78 100 80 97 3.2-4.3 4.6=64, 3.0/432=45...(11) * HB2 GLN 26 + HE22 GLN 26 OK 35 100 35 99 2.6-4.6 4.6=64, 1.8/1571=50...(11) Violated in 0 structures by 0.00 A. Peak 430 from nnoeabs.peaks (2.02, 7.64, 113.37 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.86: * HB3 GLN 26 + HE22 GLN 26 OK 78 100 80 97 3.2-4.3 4.6=64, 3.0/432=45...(11) HB2 GLN 26 + HE22 GLN 26 OK 35 100 35 99 2.6-4.6 4.6=64, 1.8/1571=50...(11) Violated in 0 structures by 0.00 A. Peak 431 from nnoeabs.peaks (2.29, 7.64, 113.37 ppm; 3.11 A): 2 out of 3 assignments used, quality = 0.98: HG3 GLN 26 + HE22 GLN 26 OK 94 100 100 94 2.1-3.1 3.5=70, 1.8/1587=26...(12) * HG2 GLN 26 + HE22 GLN 26 OK 61 100 65 94 2.1-3.5 3.5=70, 1.8/1595=35...(12) HB3 GLU 33 - HE22 GLN 26 far 0 60 0 - 5.4-6.5 Violated in 0 structures by 0.00 A. Peak 432 from nnoeabs.peaks (2.29, 7.64, 113.37 ppm; 3.11 A): 2 out of 3 assignments used, quality = 0.98: * HG3 GLN 26 + HE22 GLN 26 OK 94 100 100 94 2.1-3.1 3.5=70, 1.8/1587=26...(12) HG2 GLN 26 + HE22 GLN 26 OK 61 100 65 94 2.1-3.5 3.5=70, 1.8/1595=35...(12) HB3 GLU 33 - HE22 GLN 26 far 0 63 0 - 5.4-6.5 Violated in 0 structures by 0.00 A. Peak 433 from nnoeabs.peaks (7.40, 7.64, 113.37 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 26 + HE22 GLN 26 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 437 from nnoeabs.peaks (2.58, 6.91, 112.23 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HE21 GLN 47 OK 100 100 100 100 2.9-4.4 4.6=90, 445/1.7=84...(13) Violated in 0 structures by 0.00 A. Peak 438 from nnoeabs.peaks (1.83, 6.91, 112.23 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HE21 GLN 47 OK 100 100 100 100 2.1-3.6 4.6=100 HB3 MET 11 - HE21 GLN 47 far 0 98 0 - 5.3-7.5 Violated in 0 structures by 0.00 A. Peak 439 from nnoeabs.peaks (2.55, 6.91, 112.23 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HE21 GLN 47 OK 100 100 100 100 3.5-4.1 3.4=100 Violated in 0 structures by 0.00 A. Peak 440 from nnoeabs.peaks (2.40, 6.91, 112.23 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + HE21 GLN 47 OK 100 100 100 100 2.3-3.7 3.4=100 HG2 MET 11 - HE21 GLN 47 poor 18 89 25 80 3.2-5.4 4492/4558=46, ~4732=30...(4) HG2 GLU 45 - HE21 GLN 47 far 0 100 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 441 from nnoeabs.peaks (6.91, 6.91, 112.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HE21 GLN 47 OK 100 100 - 100 Peak 442 from nnoeabs.peaks (7.67, 6.91, 112.23 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 47 + HE21 GLN 47 OK 100 100 100 100 1.7-1.7 1.7=100 H VAL 48 - HE21 GLN 47 far 0 90 0 - 5.0-6.8 H LYS 39 - HE21 GLN 47 far 0 99 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 445 from nnoeabs.peaks (2.58, 7.67, 112.23 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HE22 GLN 47 OK 100 100 100 100 3.4-4.2 2347/3.4=75, 4.6=75...(12) Violated in 1 structures by 0.00 A. Peak 446 from nnoeabs.peaks (1.83, 7.67, 112.23 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HE22 GLN 47 OK 100 100 100 100 2.0-3.9 4.6=97, 1.8/445=87...(12) HB3 MET 11 - HE22 GLN 47 far 0 98 0 - 5.4-7.4 Violated in 0 structures by 0.00 A. Peak 447 from nnoeabs.peaks (2.55, 7.67, 112.23 ppm; 4.18 A increased from 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HE22 GLN 47 OK 100 100 100 100 3.5-4.1 3.4=100 Violated in 0 structures by 0.00 A. Peak 448 from nnoeabs.peaks (2.40, 7.67, 112.23 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + HE22 GLN 47 OK 100 100 100 100 2.4-3.6 3.4=100 HG2 MET 11 - HE22 GLN 47 far 9 89 10 - 3.3-5.7 HD2 ARG 55 - HE22 GLN 47 far 0 100 0 - 9.5-13.5 Violated in 2 structures by 0.01 A. Peak 449 from nnoeabs.peaks (6.91, 7.67, 112.23 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 47 + HE22 GLN 47 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 54 - HE22 GLN 47 far 0 100 0 - 7.9-12.2 Violated in 0 structures by 0.00 A. Peak 450 from nnoeabs.peaks (7.67, 7.67, 112.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 47 + HE22 GLN 47 OK 100 100 - 100 Peak 455 from nnoeabs.peaks (2.44, 6.93, 111.45 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HE21 GLN 53 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 456 from nnoeabs.peaks (2.37, 6.93, 111.45 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HE21 GLN 53 OK 100 100 100 100 2.2-4.1 3.5=100 HG2 GLN 63 - HE21 GLN 53 far 0 97 0 - 7.8-25.0 HG3 GLN 63 - HE21 GLN 53 far 0 99 0 - 8.7-25.9 Violated in 0 structures by 0.00 A. Peak 457 from nnoeabs.peaks (6.93, 6.93, 111.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 53 + HE21 GLN 53 OK 100 100 - 100 Peak 458 from nnoeabs.peaks (7.50, 6.93, 111.45 ppm; 2.43 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 53 + HE21 GLN 53 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 54 - HE21 GLN 53 far 0 92 0 - 4.4-10.2 QE PHE 52 - HE21 GLN 53 far 0 65 0 - 8.6-11.6 Violated in 0 structures by 0.00 A. Peak 463 from nnoeabs.peaks (2.44, 7.50, 111.45 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HE22 GLN 53 OK 100 100 100 100 2.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 464 from nnoeabs.peaks (2.37, 7.50, 111.45 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HE22 GLN 53 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 63 - HE22 GLN 53 far 0 97 0 - 6.7-24.9 HG3 GLN 63 - HE22 GLN 53 far 0 99 0 - 7.7-25.9 Violated in 0 structures by 0.00 A. Peak 465 from nnoeabs.peaks (6.93, 7.50, 111.45 ppm; 2.41 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 53 + HE22 GLN 53 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 54 - HE22 GLN 53 far 0 68 0 - 5.3-10.7 Violated in 0 structures by 0.00 A. Peak 466 from nnoeabs.peaks (7.50, 7.50, 111.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 53 + HE22 GLN 53 OK 100 100 - 100 Peak 471 from nnoeabs.peaks (2.36, 7.53, 112.44 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HE21 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HG3 GLN 63 + HE21 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HG3 GLN 53 - HE21 GLN 63 far 0 97 0 - 7.4-23.8 Violated in 0 structures by 0.00 A. Peak 472 from nnoeabs.peaks (2.36, 7.53, 112.44 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HE21 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HG2 GLN 63 + HE21 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HG3 GLN 53 - HE21 GLN 63 far 0 99 0 - 7.4-23.8 Violated in 0 structures by 0.00 A. Peak 473 from nnoeabs.peaks (7.53, 7.53, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 63 + HE21 GLN 63 OK 100 100 - 100 Peak 474 from nnoeabs.peaks (6.87, 7.53, 112.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 63 + HE21 GLN 63 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 479 from nnoeabs.peaks (2.36, 6.87, 112.44 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HE22 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 63 + HE22 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 53 - HE22 GLN 63 far 0 97 0 - 7.4-25.4 Violated in 0 structures by 0.00 A. Peak 480 from nnoeabs.peaks (2.36, 6.87, 112.44 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HE22 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLN 63 + HE22 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 53 - HE22 GLN 63 far 0 99 0 - 7.4-25.4 Violated in 0 structures by 0.00 A. Peak 481 from nnoeabs.peaks (7.53, 6.87, 112.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 63 + HE22 GLN 63 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 482 from nnoeabs.peaks (6.87, 6.87, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 63 + HE22 GLN 63 OK 100 100 - 100 Peak 487 from nnoeabs.peaks (7.14, 9.95, 128.50 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 51 + HE1 TRP 51 OK 100 100 100 100 2.6-2.6 2.6=100 HD2 HIS 13 - HE1 TRP 51 far 0 83 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 489 from nnoeabs.peaks (9.95, 9.95, 128.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 51 + HE1 TRP 51 OK 100 100 - 100 Peak 491 from nnoeabs.peaks (7.25, 9.95, 128.50 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 51 + HE1 TRP 51 OK 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 493 from nnoeabs.peaks (8.23, 8.23, 121.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 Peak 494 from nnoeabs.peaks (4.66, 8.23, 121.29 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 100 100 2.8-2.9 3.0=100 HA HIS 10 + H MET 11 OK 63 63 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 495 from nnoeabs.peaks (2.00, 8.23, 121.29 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + H MET 11 OK 100 100 100 100 3.5-3.9 3.7=100 HD3 ARG 55 - H MET 11 far 0 71 0 - 6.0-11.0 HB2 GLU 18 - H MET 11 far 0 100 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 496 from nnoeabs.peaks (1.83, 8.23, 121.29 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 100 100 100 100 2.2-3.0 3.7=100 HB3 GLN 47 - H MET 11 far 0 98 0 - 5.8-8.5 Violated in 0 structures by 0.00 A. Peak 497 from nnoeabs.peaks (2.39, 8.23, 121.29 ppm; 5.48 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + H MET 11 OK 100 100 100 100 3.3-4.3 4.8=100 HG3 GLN 47 - H MET 11 far 0 89 0 - 6.5-8.8 HD2 ARG 55 - H MET 11 far 0 81 0 - 7.1-11.5 Violated in 0 structures by 0.00 A. Peak 498 from nnoeabs.peaks (9.36, 9.36, 119.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + H SER 12 OK 100 100 - 100 Peak 499 from nnoeabs.peaks (4.59, 9.36, 119.62 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + H SER 12 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 500 from nnoeabs.peaks (4.37, 9.36, 119.62 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + H SER 12 OK 100 100 100 100 2.3-3.6 3.9=100 HA HIS 13 - H SER 12 far 10 100 10 - 4.8-5.8 Violated in 0 structures by 0.00 A. Peak 501 from nnoeabs.peaks (3.95, 9.36, 119.62 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + H SER 12 OK 100 100 100 100 2.3-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 502 from nnoeabs.peaks (7.92, 7.92, 111.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + H THR 14 OK 100 100 - 100 Peak 503 from nnoeabs.peaks (3.81, 7.92, 111.33 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 14 + H THR 14 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLN 15 - H THR 14 far 0 85 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 504 from nnoeabs.peaks (4.04, 7.92, 111.33 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.95: * HB THR 14 + H THR 14 OK 95 100 100 95 2.5-2.9 1136=74, 2.1/505=53...(5) Violated in 0 structures by 0.00 A. Peak 505 from nnoeabs.peaks (1.21, 7.92, 111.33 ppm; 3.94 A increased from 3.71 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + H THR 14 OK 100 100 100 100 3.7-3.8 4.0=98, 2.1/504=82...(4) Violated in 0 structures by 0.00 A. Peak 506 from nnoeabs.peaks (7.51, 7.51, 120.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + H GLN 15 OK 100 100 - 100 Peak 507 from nnoeabs.peaks (3.79, 7.51, 120.36 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 15 + H GLN 15 OK 100 100 100 100 2.8-2.8 3.0=100 HA THR 14 + H GLN 15 OK 85 85 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 508 from nnoeabs.peaks (2.50, 7.51, 120.36 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.98: * HB2 GLN 15 + H GLN 15 OK 98 100 100 98 2.4-2.6 4.0=51, 1.8/509=48...(18) HG3 GLN 15 - H GLN 15 far 0 85 0 - 4.4-4.6 HG3 MET 11 - H GLN 15 far 0 83 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 509 from nnoeabs.peaks (1.63, 7.51, 120.36 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLN 15 + H GLN 15 OK 99 100 100 99 2.4-2.7 4.0=99 HB2 LEU 41 - H GLN 15 far 0 90 0 - 7.7-8.6 HD3 LYS 42 - H GLN 15 far 0 65 0 - 7.8-12.3 HG3 ARG 21 - H GLN 15 far 0 60 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 510 from nnoeabs.peaks (2.30, 7.51, 120.36 ppm; 4.47 A increased from 4.21 A): 1 out of 2 assignments used, quality = 0.95: * HG2 GLN 15 + H GLN 15 OK 95 100 95 100 4.3-4.6 1168=90, 3.0/508=85...(9) HG2 GLU 18 - H GLN 15 far 0 78 0 - 5.3-6.5 Violated in 3 structures by 0.01 A. Peak 511 from nnoeabs.peaks (2.48, 7.51, 120.36 ppm; 3.32 A): 1 out of 4 assignments used, quality = 0.84: HB2 GLN 15 + H GLN 15 OK 84 85 100 99 2.4-2.6 4.0=57, 1.8/509=52...(18) ! HG3 GLN 15 - H GLN 15 far 0 100 0 - 4.4-4.6 HG3 MET 11 - H GLN 15 far 0 100 0 - 6.7-8.1 HG2 GLU 20 - H GLN 15 far 0 78 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 514 from nnoeabs.peaks (7.83, 7.83, 117.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H VAL 16 OK 100 100 - 100 Peak 515 from nnoeabs.peaks (3.23, 7.83, 117.36 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + H VAL 16 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 HIS 13 - H VAL 16 far 0 95 0 - 5.6-6.0 HB2 HIS 10 - H VAL 16 far 0 73 0 - 5.9-10.7 HD3 ARG 21 - H VAL 16 far 0 98 0 - 8.6-10.9 HD2 ARG 21 - H VAL 16 far 0 71 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 516 from nnoeabs.peaks (2.07, 7.83, 117.36 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.99: * HB VAL 16 + H VAL 16 OK 99 100 100 99 2.5-2.6 1189=88, 2.1/518=67...(7) Violated in 0 structures by 0.00 A. Peak 517 from nnoeabs.peaks (1.01, 7.83, 117.36 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 16 + H VAL 16 OK 100 100 100 100 2.0-2.3 1194=87, 2.1/516=59...(13) QG1 VAL 16 - H VAL 16 far 0 83 0 - 3.8-3.8 QG1 VAL 48 - H VAL 16 far 0 90 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 518 from nnoeabs.peaks (1.03, 7.83, 117.36 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.81: QG2 VAL 16 + H VAL 16 OK 81 83 100 98 2.0-2.3 1194=60, 2.1/516=56...(13) ! QG1 VAL 16 - H VAL 16 far 0 100 0 - 3.8-3.8 Violated in 0 structures by 0.00 A. Peak 519 from nnoeabs.peaks (8.01, 8.01, 118.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ILE 17 + H ILE 17 OK 100 100 - 100 H HIS 36 + H HIS 36 OK 40 40 - 100 Peak 520 from nnoeabs.peaks (3.69, 8.01, 118.34 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H ILE 17 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 521 from nnoeabs.peaks (1.84, 8.01, 118.34 ppm; 2.92 A): 1 out of 8 assignments used, quality = 0.99: * HB ILE 17 + H ILE 17 OK 99 100 100 99 2.5-2.6 1211=77, 2.1/522=40...(13) HB3 ARG 34 - H HIS 36 far 0 39 0 - 6.0-6.3 HG2 ARG 21 - H ILE 17 far 0 81 0 - 6.2-8.3 HB3 MET 11 - H ILE 17 far 0 100 0 - 6.4-7.7 HG LEU 41 - H HIS 36 far 0 27 0 - 8.6-8.8 HG LEU 41 - H ILE 17 far 0 60 0 - 8.8-9.5 HD2 LYS 22 - H ILE 17 far 0 85 0 - 8.9-12.6 HD2 LYS 22 - H HIS 36 far 0 42 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 522 from nnoeabs.peaks (0.81, 8.01, 118.34 ppm; 3.80 A increased from 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + H ILE 17 OK 100 100 100 100 3.8-3.8 1218=91, 2.1/521=88...(13) Violated in 0 structures by 0.00 A. Peak 523 from nnoeabs.peaks (1.08, 8.01, 118.34 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + H ILE 17 OK 100 100 100 100 1.9-2.2 1225=74, 1.8/524=67...(11) Violated in 0 structures by 0.00 A. Peak 524 from nnoeabs.peaks (1.38, 8.01, 118.34 ppm; 3.43 A increased from 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + H ILE 17 OK 100 100 100 100 3.1-3.4 1232=96, 1.8/523=75...(12) Violated in 2 structures by 0.00 A. Peak 525 from nnoeabs.peaks (0.70, 8.01, 118.34 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 17 + H ILE 17 OK 100 100 100 100 3.3-3.6 2.1/523=81, 1239=79...(13) HB2 LEU 19 - H ILE 17 far 0 98 0 - 5.0-5.4 QD1 LEU 41 - H ILE 17 far 0 85 0 - 5.5-6.1 QD1 LEU 41 - H HIS 36 far 0 42 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 526 from nnoeabs.peaks (7.55, 7.55, 119.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 18 + H GLU 18 OK 100 100 - 100 H TYR 57 + H TYR 57 OK 69 69 - 100 Peak 527 from nnoeabs.peaks (4.19, 7.55, 119.23 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 18 + H GLU 18 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 20 - H GLU 18 far 0 65 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 528 from nnoeabs.peaks (2.00, 7.55, 119.23 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.99: * HB2 GLU 18 + H GLU 18 OK 99 100 100 99 2.2-2.7 3.9=56, 3.0/531=46...(15) HB3 GLU 18 - H GLU 18 far 0 100 0 - 3.5-3.6 HB2 ARG 21 - H GLU 18 far 0 60 0 - 5.4-6.0 HB3 GLN 63 - H TYR 57 far 0 76 0 - 6.6-17.2 HD3 ARG 55 - H TYR 57 far 0 49 0 - 6.7-7.8 HB3 ARG 21 - H GLU 18 far 0 68 0 - 7.0-7.4 HB2 MET 11 - H GLU 18 far 0 100 0 - 7.1-8.0 HD3 ARG 55 - H GLU 18 far 0 73 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 529 from nnoeabs.peaks (2.00, 7.55, 119.23 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.99: HB2 GLU 18 + H GLU 18 OK 99 100 100 99 2.2-2.7 3.9=56, 3.0/531=46...(15) ! HB3 GLU 18 - H GLU 18 far 0 100 0 - 3.5-3.6 HB2 ARG 21 - H GLU 18 far 0 60 0 - 5.4-6.0 HB3 GLN 63 - H TYR 57 far 0 76 0 - 6.6-17.2 HD3 ARG 55 - H TYR 57 far 0 49 0 - 6.7-7.8 HB3 ARG 21 - H GLU 18 far 0 68 0 - 7.0-7.4 HB2 MET 11 - H GLU 18 far 0 100 0 - 7.1-8.0 HD3 ARG 55 - H GLU 18 far 0 73 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 530 from nnoeabs.peaks (2.28, 7.55, 119.23 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 18 + H GLU 18 OK 100 100 100 100 2.5-4.0 1264=95, 1.8/531=88...(13) HG2 GLN 15 - H GLU 18 far 0 78 0 - 5.1-6.7 HG2 GLU 67 - H TYR 57 far 0 75 0 - 8.8-26.0 Violated in 0 structures by 0.00 A. Peak 531 from nnoeabs.peaks (2.41, 7.55, 119.23 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 18 + H GLU 18 OK 100 100 100 100 2.0-3.0 1270=75, 3.0/529=60...(16) HG3 GLU 20 - H GLU 18 far 0 90 0 - 5.1-5.7 HD2 ARG 55 - H TYR 57 far 0 76 0 - 5.4-6.1 HG2 MET 11 - H GLU 18 far 0 81 0 - 7.5-9.5 HB3 LYS 22 - H GLU 18 far 0 65 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 532 from nnoeabs.peaks (7.98, 7.98, 124.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 19 + H LEU 19 OK 100 100 - 100 Peak 533 from nnoeabs.peaks (3.64, 7.98, 124.25 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 19 + H LEU 19 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 48 - H LEU 19 far 0 97 0 - 7.6-8.5 HA ALA 38 - H LEU 19 far 0 65 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 534 from nnoeabs.peaks (0.71, 7.98, 124.25 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.99: * HB2 LEU 19 + H LEU 19 OK 98 100 100 98 2.2-2.5 4.0=58, 3.0/536=53...(9) QD1 LEU 41 + H LEU 19 OK 63 97 70 92 3.1-3.6 4438=36, 4816/537=33...(11) QD1 ILE 17 - H LEU 19 far 0 98 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 535 from nnoeabs.peaks (-0.76, 7.98, 124.25 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + H LEU 19 OK 100 100 100 100 3.5-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 536 from nnoeabs.peaks (1.24, 7.98, 124.25 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.99: * HG LEU 19 + H LEU 19 OK 99 100 100 99 2.2-2.9 1297=73, 2.1/537=49...(11) HB2 LEU 43 - H LEU 19 far 0 92 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 537 from nnoeabs.peaks (0.53, 7.98, 124.25 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + H LEU 19 OK 100 100 100 100 3.7-4.0 1304=87, 2.1/536=86...(7) Violated in 0 structures by 0.00 A. Peak 538 from nnoeabs.peaks (-0.28, 7.98, 124.25 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + H LEU 19 OK 100 100 100 100 3.2-3.7 2.1/536=87, 2.1/537=73...(10) HG2 ARG 55 - H LEU 19 far 0 100 0 - 7.5-8.2 HB3 ARG 55 - H LEU 19 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 539 from nnoeabs.peaks (8.41, 8.41, 118.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + H GLU 20 OK 100 100 - 100 Peak 540 from nnoeabs.peaks (4.22, 8.41, 118.68 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + H GLU 20 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 18 - H GLU 20 far 0 65 0 - 4.2-4.8 Violated in 0 structures by 0.00 A. Peak 541 from nnoeabs.peaks (2.16, 8.41, 118.68 ppm; 3.59 A increased from 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + H GLU 20 OK 100 100 100 100 3.6-3.6 1324=96, 1.8/542=75...(10) Violated in 0 structures by 0.00 A. Peak 542 from nnoeabs.peaks (2.04, 8.41, 118.68 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + H GLU 20 OK 100 100 100 100 2.3-2.6 1330=87, 1.8/541=69...(10) HB2 LYS 22 - H GLU 20 far 0 90 0 - 5.1-6.1 Violated in 0 structures by 0.00 A. Peak 543 from nnoeabs.peaks (2.46, 8.41, 118.68 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 20 + H GLU 20 OK 100 100 100 100 2.0-3.5 1336=63, 3.0/542=55...(12) HG3 GLN 15 - H GLU 20 far 0 78 0 - 7.0-7.6 HG3 MET 11 - H GLU 20 far 0 81 0 - 8.3-11.6 Violated in 1 structures by 0.00 A. Peak 544 from nnoeabs.peaks (2.42, 8.41, 118.68 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + H GLU 20 OK 100 100 100 100 2.3-3.2 1342=66, 1.8/1336=60...(12) HG3 GLU 18 - H GLU 20 far 0 90 0 - 5.9-6.6 HD2 ARG 55 - H GLU 20 far 0 90 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 545 from nnoeabs.peaks (8.31, 8.31, 121.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + H ARG 21 OK 100 100 - 100 Peak 546 from nnoeabs.peaks (4.07, 8.31, 121.06 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 21 + H ARG 21 OK 100 100 100 100 2.8-2.8 2.9=100 HA SER 24 - H ARG 21 far 0 99 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 547 from nnoeabs.peaks (1.97, 8.31, 121.06 ppm; 2.84 A): 1 out of 6 assignments used, quality = 0.98: * HB2 ARG 21 + H ARG 21 OK 98 100 100 98 2.2-2.7 1356=69, 60/873=33...(14) HB3 ARG 21 - H ARG 21 far 0 100 0 - 3.5-3.6 HD3 LYS 22 - H ARG 21 far 0 99 0 - 5.1-7.4 HB3 GLU 18 - H ARG 21 far 0 60 0 - 5.4-5.8 HB2 GLU 18 - H ARG 21 far 0 60 0 - 5.6-6.0 HD3 ARG 55 - H ARG 21 far 0 100 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 548 from nnoeabs.peaks (1.97, 8.31, 121.06 ppm; 2.84 A): 1 out of 6 assignments used, quality = 0.98: HB2 ARG 21 + H ARG 21 OK 98 100 100 98 2.2-2.7 1364=69, 60/873=33...(14) ! HB3 ARG 21 - H ARG 21 far 0 100 0 - 3.5-3.6 HD3 LYS 22 - H ARG 21 far 0 98 0 - 5.1-7.4 HB3 GLU 18 - H ARG 21 far 0 68 0 - 5.4-5.8 HB2 GLU 18 - H ARG 21 far 0 68 0 - 5.6-6.0 HD3 ARG 55 - H ARG 21 far 0 100 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 549 from nnoeabs.peaks (1.86, 8.31, 121.06 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 21 + H ARG 21 OK 100 100 100 100 2.1-3.8 1360/547=76, 1372=65...(15) HB ILE 17 - H ARG 21 far 0 81 0 - 5.6-5.9 HG LEU 41 - H ARG 21 far 0 99 0 - 9.1-9.6 Violated in 1 structures by 0.00 A. Peak 550 from nnoeabs.peaks (1.60, 8.31, 121.06 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 21 + H ARG 21 OK 100 100 100 100 2.2-4.1 1.8/549=90, 3.0/548=88...(13) HB3 GLN 15 - H ARG 21 far 0 60 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 551 from nnoeabs.peaks (3.20, 8.31, 121.06 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + H ARG 21 OK 100 100 100 100 2.5-4.8 3.5/548=91, 2.9/549=87...(11) HA VAL 16 - H ARG 21 far 0 71 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 552 from nnoeabs.peaks (3.23, 8.31, 121.06 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + H ARG 21 OK 100 100 100 100 2.3-4.9 3.5/548=90, 2.9/549=86...(11) HA VAL 16 - H ARG 21 far 0 98 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 553 from nnoeabs.peaks (8.03, 8.03, 120.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + H LYS 22 OK 100 100 - 100 Peak 554 from nnoeabs.peaks (4.35, 8.03, 120.92 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + H LYS 22 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 555 from nnoeabs.peaks (2.06, 8.03, 120.92 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LYS 22 + H LYS 22 OK 99 100 100 99 2.2-2.5 1414=69, 1.8/556=65...(14) HB3 GLU 20 - H LYS 22 far 0 90 0 - 4.8-5.3 HB VAL 16 - H LYS 22 far 0 87 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 556 from nnoeabs.peaks (2.38, 8.03, 120.92 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + H LYS 22 OK 100 100 100 100 2.7-3.5 1.8/555=77, 4.0=64...(13) HG3 GLU 18 - H LYS 22 far 0 65 0 - 7.2-8.0 Violated in 1 structures by 0.00 A. Peak 557 from nnoeabs.peaks (1.71, 8.03, 120.92 ppm; 4.69 A increased from 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + H LYS 22 OK 100 100 100 100 4.1-4.7 2.9/555=89, 2.9/556=86...(15) HB3 LEU 37 - H LYS 22 far 0 87 0 - 8.0-8.7 Violated in 1 structures by 0.00 A. Peak 558 from nnoeabs.peaks (1.68, 8.03, 120.92 ppm; 4.65 A increased from 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + H LYS 22 OK 100 100 100 100 4.2-4.6 2.9/555=88, 2.9/556=85...(13) HB2 LEU 37 - H LYS 22 far 0 93 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 559 from nnoeabs.peaks (1.82, 8.03, 120.92 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + H LYS 22 OK 100 100 100 100 2.6-4.5 1410/2.9=83, 3.5/555=78...(16) HB ILE 17 - H LYS 22 far 0 85 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 560 from nnoeabs.peaks (1.96, 8.03, 120.92 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.92: HB2 ARG 21 + H LYS 22 OK 92 99 100 93 2.4-2.9 3392=57, 547/873=50...(6) HB3 ARG 21 - H LYS 22 poor 20 98 20 - 3.0-3.9 ! HD3 LYS 22 - H LYS 22 far 5 100 5 - 3.1-4.8 HD3 ARG 55 - H LYS 22 far 0 97 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 563 from nnoeabs.peaks (8.99, 8.99, 121.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + H PHE 23 OK 100 100 - 100 Peak 564 from nnoeabs.peaks (4.76, 8.99, 121.58 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + H PHE 23 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 565 from nnoeabs.peaks (3.15, 8.99, 121.58 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 23 + H PHE 23 OK 100 100 100 100 2.3-2.6 1500=98, 1.8/566=77...(7) Violated in 0 structures by 0.00 A. Peak 566 from nnoeabs.peaks (3.08, 8.99, 121.58 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + H PHE 23 OK 100 100 100 100 2.5-2.8 1506=95, 1.8/565=72...(6) Violated in 0 structures by 0.00 A. Peak 567 from nnoeabs.peaks (7.18, 8.99, 121.58 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 52 + H PHE 23 OK 99 100 100 99 3.5-4.6 4638/3.0=58, 4142/69=56...(8) ! QE PHE 23 - H PHE 23 far 0 100 0 - 6.1-6.2 Violated in 0 structures by 0.00 A. Peak 568 from nnoeabs.peaks (7.06, 8.99, 121.58 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + H PHE 23 OK 100 100 100 100 4.0-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 569 from nnoeabs.peaks (8.13, 8.13, 111.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 24 + H SER 24 OK 100 100 - 100 Peak 570 from nnoeabs.peaks (4.08, 8.13, 111.74 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 24 + H SER 24 OK 100 100 100 100 2.8-2.8 3.0=100 HA ARG 21 - H SER 24 far 0 99 0 - 3.6-4.1 HA ARG 56 - H SER 24 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 571 from nnoeabs.peaks (3.97, 8.13, 111.74 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.97: * HB2 SER 24 + H SER 24 OK 87 100 95 91 2.3-3.5 1528=48, 3715/3.0=42...(11) HB3 SER 24 + H SER 24 OK 76 100 80 95 2.2-3.6 4.0=47, 1.8/1528=35...(11) Violated in 0 structures by 0.00 A. Peak 572 from nnoeabs.peaks (3.97, 8.13, 111.74 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.97: HB2 SER 24 + H SER 24 OK 86 100 95 91 2.3-3.5 1528=48, 3715/3.0=42...(11) * HB3 SER 24 + H SER 24 OK 76 100 80 95 2.2-3.6 4.0=47, 1.8/1528=35...(11) Violated in 0 structures by 0.00 A. Peak 573 from nnoeabs.peaks (7.63, 7.63, 118.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 25 + H HIS 25 OK 100 100 - 100 Peak 574 from nnoeabs.peaks (4.70, 7.63, 118.44 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + H HIS 25 OK 100 100 100 100 2.8-2.9 2.9=100 HA TYR 28 - H HIS 25 far 0 83 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 575 from nnoeabs.peaks (3.37, 7.63, 118.44 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + H HIS 25 OK 100 100 100 100 2.2-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 576 from nnoeabs.peaks (3.31, 7.63, 118.44 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.97: * HB3 HIS 25 + H HIS 25 OK 97 100 100 97 2.2-3.6 3.9=91, 89/86=52, 4181/4179=29 Violated in 0 structures by 0.00 A. Peak 578 from nnoeabs.peaks (8.51, 8.51, 121.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + H GLN 26 OK 100 100 - 100 Peak 579 from nnoeabs.peaks (4.49, 8.51, 121.11 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 26 + H GLN 26 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 580 from nnoeabs.peaks (2.02, 8.51, 121.11 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.98: HB3 GLN 26 + H GLN 26 OK 98 100 100 98 3.2-3.5 3.9=78, 4187/3.6=31...(11) ! HB2 GLN 26 - H GLN 26 far 0 100 0 - 3.9-4.0 HB3 GLU 20 - H GLN 26 far 0 87 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 581 from nnoeabs.peaks (2.02, 8.51, 121.11 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.98: * HB3 GLN 26 + H GLN 26 OK 98 100 100 98 3.2-3.5 3.9=78, 4187/3.6=31...(11) HB2 GLN 26 - H GLN 26 far 0 100 0 - 3.9-4.0 HB3 GLU 20 - H GLN 26 far 0 87 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 582 from nnoeabs.peaks (2.29, 8.51, 121.11 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 26 + H GLN 26 OK 98 100 100 98 2.3-3.0 3.0/581=60, 4.9=45...(11) HG3 GLN 26 + H GLN 26 OK 82 100 85 96 3.4-4.4 3.0/580=60, 4.9=45...(9) HB3 GLU 33 - H GLN 26 far 0 60 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 583 from nnoeabs.peaks (2.29, 8.51, 121.11 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLN 26 + H GLN 26 OK 98 100 100 98 2.3-3.0 3.0/581=60, 4.9=45...(11) * HG3 GLN 26 + H GLN 26 OK 82 100 85 96 3.4-4.4 3.0/580=60, 4.9=45...(9) HB3 GLU 33 - H GLN 26 far 0 63 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 586 from nnoeabs.peaks (8.12, 8.12, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 27 + H LYS 27 OK 100 100 - 100 Peak 587 from nnoeabs.peaks (3.90, 8.12, 119.98 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + H LYS 27 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 588 from nnoeabs.peaks (1.42, 8.12, 119.98 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + H LYS 27 OK 100 100 100 100 3.6-3.7 4.0=85, 1.8/589=85...(8) Violated in 0 structures by 0.00 A. Peak 589 from nnoeabs.peaks (1.56, 8.12, 119.98 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LYS 27 + H LYS 27 OK 99 100 100 99 2.5-2.7 1616=61, 1.8/588=59...(10) Violated in 0 structures by 0.00 A. Peak 590 from nnoeabs.peaks (0.63, 8.12, 119.98 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + H LYS 27 OK 100 100 100 100 2.1-3.7 1.8/591=78, 3.0/589=66...(10) HB2 ARG 55 - H LYS 27 far 0 87 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 591 from nnoeabs.peaks (1.16, 8.12, 119.98 ppm; 3.64 A increased from 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + H LYS 27 OK 100 100 100 100 2.1-3.6 1.8/590=69, 1636=64...(11) Violated in 1 structures by 0.00 A. Peak 592 from nnoeabs.peaks (1.23, 8.12, 119.98 ppm; 4.75 A increased from 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + H LYS 27 OK 100 100 100 100 3.2-4.7 2.9/591=84, 1646=84...(9) HB2 LEU 29 - H LYS 27 far 0 96 0 - 8.6-8.9 Violated in 1 structures by 0.00 A. Peak 593 from nnoeabs.peaks (1.33, 8.12, 119.98 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + H LYS 27 OK 100 100 100 100 3.2-4.8 2.9/591=87, 1656=87...(9) Violated in 0 structures by 0.00 A. Peak 596 from nnoeabs.peaks (7.50, 7.50, 113.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TYR 28 + H TYR 28 OK 100 100 - 100 HD21 ASN 54 + HD21 ASN 54 OK 45 45 - 100 Peak 597 from nnoeabs.peaks (4.72, 7.50, 113.08 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 28 + H TYR 28 OK 100 100 100 100 2.9-2.9 3.0=100 HA HIS 25 - H TYR 28 far 0 83 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 598 from nnoeabs.peaks (2.95, 7.50, 113.08 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + H TYR 28 OK 100 100 100 100 2.3-3.7 3.9=100 HE3 LYS 22 - H TYR 28 far 0 100 0 - 8.2-11.1 Violated in 0 structures by 0.00 A. Peak 601 from nnoeabs.peaks (7.13, 7.50, 113.08 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 28 + H TYR 28 OK 100 100 100 100 2.1-3.2 4662=97, 1691/3.0=73...(5) HD1 TRP 51 - HD21 ASN 54 far 5 46 10 - 4.0-6.2 QD TYR 57 - HD21 ASN 54 far 0 41 0 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 602 from nnoeabs.peaks (8.50, 8.50, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + H LEU 29 OK 100 100 - 100 Peak 603 from nnoeabs.peaks (4.58, 8.50, 122.84 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 100 100 2.9-2.9 2.9=100 HA SER 30 - H LEU 29 far 0 57 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 604 from nnoeabs.peaks (1.24, 8.50, 122.84 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 29 + H LEU 29 OK 100 100 100 100 3.5-3.6 4.0=100 HD2 LYS 27 - H LEU 29 far 0 96 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 605 from nnoeabs.peaks (1.46, 8.50, 122.84 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.97: * HB3 LEU 29 + H LEU 29 OK 97 100 100 97 2.2-2.4 4.0=69, 3.0/606=45...(7) HG3 ARG 56 - H LEU 29 far 0 99 0 - 8.1-9.2 QB ALA 35 - H LEU 29 far 0 71 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 606 from nnoeabs.peaks (0.74, 8.50, 122.84 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.99: * HG LEU 29 + H LEU 29 OK 99 100 100 99 3.1-3.6 3.0/605=71, 2.1/608=64...(6) QD1 LEU 41 - H LEU 29 far 0 78 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 607 from nnoeabs.peaks (0.15, 8.50, 122.84 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + H LEU 29 OK 100 100 100 100 3.8-4.2 4.8=92, 2.1/606=85...(7) Violated in 0 structures by 0.00 A. Peak 608 from nnoeabs.peaks (0.46, 8.50, 122.84 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + H LEU 29 OK 100 100 100 100 4.0-4.2 1751=91, 1722/2.9=84...(7) Violated in 0 structures by 0.00 A. Peak 609 from nnoeabs.peaks (8.98, 8.98, 118.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + H SER 30 OK 100 100 - 100 Peak 610 from nnoeabs.peaks (4.55, 8.98, 118.86 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 30 + H SER 30 OK 100 100 100 100 2.9-2.9 3.0=100 HA LEU 29 + H SER 30 OK 54 57 100 94 2.3-2.6 3.6=72, 3.0/117=39...(6) Violated in 0 structures by 0.00 A. Peak 611 from nnoeabs.peaks (4.01, 8.98, 118.86 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.95: * HB2 SER 30 + H SER 30 OK 95 100 100 95 2.7-3.7 4.0=87, 124/4.6=33...(5) HA ALA 35 - H SER 30 far 0 60 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 612 from nnoeabs.peaks (4.22, 8.98, 118.86 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + H SER 30 OK 100 100 100 100 2.9-3.7 4.0=100 HA ALA 31 - H SER 30 far 0 95 0 - 5.5-5.7 Violated in 0 structures by 0.00 A. Peak 613 from nnoeabs.peaks (9.18, 9.18, 123.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + H ALA 31 OK 100 100 - 100 Peak 614 from nnoeabs.peaks (4.21, 9.18, 123.12 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H ALA 31 OK 100 100 100 100 2.8-2.8 3.0=100 HB3 SER 30 + H ALA 31 OK 92 95 100 97 2.4-3.2 4.4=60, 1.8/124=57...(7) Violated in 0 structures by 0.00 A. Peak 615 from nnoeabs.peaks (1.56, 9.18, 123.12 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 31 + H ALA 31 OK 100 100 100 100 2.0-2.1 2.9=100 HG3 ARG 34 - H ALA 31 far 0 63 0 - 8.0-8.3 HG2 LYS 49 - H ALA 31 far 0 95 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 616 from nnoeabs.peaks (7.21, 7.21, 117.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + H GLU 33 OK 100 100 - 100 Peak 617 from nnoeabs.peaks (4.07, 7.21, 117.78 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + H GLU 33 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 37 - H GLU 33 far 0 96 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 618 from nnoeabs.peaks (1.88, 7.21, 117.78 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 33 + H GLU 33 OK 100 100 100 100 3.5-3.6 4.0=93, 1.8/620=91...(12) HB3 ARG 34 - H GLU 33 far 0 73 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 619 from nnoeabs.peaks (2.32, 7.21, 117.78 ppm; 3.18 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 33 + H GLU 33 OK 99 100 100 99 2.2-2.4 1837=55, 1.8/618=49...(15) HG2 GLU 33 - H GLU 33 far 0 99 0 - 3.5-4.0 HB3 PRO 32 - H GLU 33 far 0 98 0 - 4.0-4.3 HG3 GLN 26 - H GLU 33 far 0 63 0 - 9.2-9.9 HG2 GLN 26 - H GLU 33 far 0 60 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 620 from nnoeabs.peaks (2.32, 7.21, 117.78 ppm; 3.18 A): 1 out of 3 assignments used, quality = 0.98: HB3 GLU 33 + H GLU 33 OK 98 99 100 99 2.2-2.4 1837=55, 1.8/618=49...(15) ! HG2 GLU 33 - H GLU 33 far 0 100 0 - 3.5-4.0 HB3 PRO 32 - H GLU 33 far 0 92 0 - 4.0-4.3 Violated in 0 structures by 0.00 A. Peak 621 from nnoeabs.peaks (2.23, 7.21, 117.78 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + H GLU 33 OK 100 100 100 100 2.5-4.0 1849=92, 1.8/1843=76...(11) Violated in 1 structures by 0.00 A. Peak 622 from nnoeabs.peaks (8.73, 8.73, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H ARG 34 OK 100 100 - 100 Peak 623 from nnoeabs.peaks (3.79, 8.73, 121.67 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + H ARG 34 OK 100 100 100 100 2.8-2.8 2.9=100 HD3 PRO 32 - H ARG 34 far 0 97 0 - 4.4-4.7 Violated in 0 structures by 0.00 A. Peak 624 from nnoeabs.peaks (1.94, 8.73, 121.67 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 34 + H ARG 34 OK 99 100 100 99 2.4-2.6 1.8/135=72, 1863=67...(11) HD3 LYS 22 - H ARG 34 far 0 78 0 - 8.3-9.8 HB3 LYS 39 - H ARG 34 far 0 93 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 625 from nnoeabs.peaks (1.86, 8.73, 121.67 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 34 + H ARG 34 OK 99 100 100 99 2.5-2.7 1.8/624=73, 1871=66...(11) HB2 GLU 33 + H ARG 34 OK 54 73 75 98 2.9-3.5 1.8/137=65, 4.0/133=37...(12) HB3 LYS 49 - H ARG 34 far 0 78 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 626 from nnoeabs.peaks (1.34, 8.73, 121.67 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + H ARG 34 OK 100 100 100 100 4.4-4.5 3.0/135=87, 3.0/624=86...(11) QB ALA 38 - H ARG 34 far 0 100 0 - 6.0-6.4 Violated in 2 structures by 0.00 A. Peak 627 from nnoeabs.peaks (1.59, 8.73, 121.67 ppm; 4.62 A increased from 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 34 + H ARG 34 OK 100 100 100 100 4.4-4.5 3.0/135=90, 3.0/624=89...(12) QB ALA 31 - H ARG 34 far 0 63 0 - 4.8-5.1 HG LEU 37 - H ARG 34 far 0 68 0 - 7.2-7.6 HG2 LYS 49 - H ARG 34 far 0 92 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 630 from nnoeabs.peaks (8.15, 8.15, 120.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + H ALA 35 OK 100 100 - 100 Peak 631 from nnoeabs.peaks (3.98, 8.15, 120.97 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 35 + H ALA 35 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 SER 30 - H ALA 35 far 0 60 0 - 5.8-7.3 Violated in 0 structures by 0.00 A. Peak 632 from nnoeabs.peaks (1.49, 8.15, 120.97 ppm; 2.63 A): 1 out of 2 assignments used, quality = 0.96: * QB ALA 35 + H ALA 35 OK 96 100 100 96 2.0-2.3 1914=85, 149/147=32...(10) HB3 LEU 29 - H ALA 35 far 0 71 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 633 from nnoeabs.peaks (7.99, 7.99, 118.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 36 + H HIS 36 OK 100 100 - 100 H ILE 17 + H ILE 17 OK 40 40 - 100 Peak 634 from nnoeabs.peaks (4.32, 7.99, 118.30 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 36 + H HIS 36 OK 100 100 100 100 2.8-2.8 3.0=100 HA LEU 41 - H ILE 17 far 0 36 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 635 from nnoeabs.peaks (3.19, 7.99, 118.30 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.91: HB3 HIS 36 + H HIS 36 OK 87 100 100 87 2.2-2.5 1922=49, 152/886=35...(8) * HB2 HIS 36 + H HIS 36 OK 34 100 50 68 2.6-3.6 1.8/1922=38, 4.0=31...(5) HB2 HIS 13 - H ILE 17 far 0 33 0 - 6.1-6.7 HD2 ARG 21 - H ILE 17 far 0 49 0 - 7.1-9.0 HB2 HIS 10 - H ILE 17 far 0 48 0 - 7.9-13.2 Violated in 0 structures by 0.00 A. Peak 636 from nnoeabs.peaks (3.19, 7.99, 118.30 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.91: * HB3 HIS 36 + H HIS 36 OK 87 100 100 87 2.2-2.5 1927=49, 153/886=35...(8) HB2 HIS 36 + H HIS 36 OK 34 100 50 68 2.6-3.6 1.8/1922=38, 4.0=31...(5) HB2 HIS 13 - H ILE 17 far 0 35 0 - 6.1-6.7 HD2 ARG 21 - H ILE 17 far 0 50 0 - 7.1-9.0 HB2 HIS 10 - H ILE 17 far 0 49 0 - 7.9-13.2 Violated in 0 structures by 0.00 A. Peak 638 from nnoeabs.peaks (8.07, 8.07, 120.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 37 + H LEU 37 OK 100 100 - 100 Peak 639 from nnoeabs.peaks (4.06, 8.07, 120.69 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + H LEU 37 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLU 33 - H LEU 37 far 0 95 0 - 4.1-4.5 HA LYS 39 - H LEU 37 far 0 76 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 640 from nnoeabs.peaks (1.66, 8.07, 120.69 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LEU 37 + H LEU 37 OK 99 100 100 99 2.6-2.8 1944=70, 1.8/641=67...(12) HG3 LYS 22 - H LEU 37 far 0 93 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 641 from nnoeabs.peaks (1.73, 8.07, 120.69 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 37 + H LEU 37 OK 99 100 100 99 2.3-2.5 1951=69, 1.8/640=68...(13) HG2 LYS 22 - H LEU 37 far 0 87 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 642 from nnoeabs.peaks (1.56, 8.07, 120.69 ppm; 4.42 A increased from 3.93 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 37 + H LEU 37 OK 100 100 100 100 4.3-4.5 1958=97, 3.0/640=87...(9) HG3 LYS 39 + H LEU 37 OK 70 92 95 80 4.0-5.9 4368/3.6=60, 653/992=42 HG3 ARG 34 - H LEU 37 far 0 68 0 - 5.0-5.6 QB ALA 31 - H LEU 37 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 643 from nnoeabs.peaks (0.92, 8.07, 120.69 ppm; 4.39 A increased from 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + H LEU 37 OK 100 100 100 100 4.2-4.3 1965=100, 1967/640=89...(12) Violated in 0 structures by 0.00 A. Peak 644 from nnoeabs.peaks (0.96, 8.07, 120.69 ppm; 4.35 A increased from 3.87 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + H LEU 37 OK 100 100 100 100 4.1-4.2 1972=100, 1973/3.0=87...(10) QG2 VAL 48 - H LEU 37 far 0 97 0 - 4.7-5.4 Violated in 0 structures by 0.00 A. Peak 645 from nnoeabs.peaks (8.44, 8.44, 119.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H ALA 38 OK 100 100 - 100 Peak 646 from nnoeabs.peaks (3.61, 8.44, 119.33 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H ALA 38 OK 100 100 100 100 2.8-2.8 2.9=100 HA GLU 45 - H ALA 38 far 0 60 0 - 4.8-5.4 HA VAL 48 - H ALA 38 far 0 90 0 - 6.7-7.0 HA LEU 19 - H ALA 38 far 0 65 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 647 from nnoeabs.peaks (1.34, 8.44, 119.33 ppm; 2.78 A): 1 out of 4 assignments used, quality = 0.98: * QB ALA 38 + H ALA 38 OK 98 100 100 98 2.1-2.2 1982=87, 164/888=38...(9) HG2 ARG 34 - H ALA 38 far 0 100 0 - 4.1-5.0 HG2 LYS 42 - H ALA 38 far 0 97 0 - 9.3-11.3 HG3 LYS 42 - H ALA 38 far 0 97 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 648 from nnoeabs.peaks (7.67, 7.67, 116.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 649 from nnoeabs.peaks (4.08, 7.67, 116.42 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.8-2.8 3.0=100 HA LEU 37 - H LYS 39 far 0 78 0 - 4.5-4.7 HA GLU 33 - H LYS 39 far 0 97 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 650 from nnoeabs.peaks (1.92, 7.67, 116.42 ppm; 2.63 A): 1 out of 3 assignments used, quality = 0.95: HB3 LYS 39 + H LYS 39 OK 95 100 100 95 2.3-2.5 1995=74, 2.9/653=26...(12) ! HB2 LYS 39 - H LYS 39 far 0 100 0 - 3.6-3.6 HB2 ARG 34 - H LYS 39 far 0 90 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 651 from nnoeabs.peaks (1.92, 7.67, 116.42 ppm; 2.63 A): 1 out of 3 assignments used, quality = 0.95: * HB3 LYS 39 + H LYS 39 OK 95 100 100 95 2.3-2.5 2005=74, 2.9/653=26...(12) HB2 LYS 39 - H LYS 39 far 0 100 0 - 3.6-3.6 HB2 ARG 34 - H LYS 39 far 0 93 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 652 from nnoeabs.peaks (1.43, 7.67, 116.42 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 2.5-3.7 2015=87, 2.9/651=87...(9) HB3 LEU 41 - H LYS 39 far 0 100 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 653 from nnoeabs.peaks (1.54, 7.67, 116.42 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 2.3-3.7 2.9/651=80, 2025=72...(10) HG LEU 37 - H LYS 39 far 0 92 0 - 5.4-5.8 QB ALA 31 - H LYS 39 far 0 95 0 - 9.9-10.0 Violated in 0 structures by 0.00 A. Peak 654 from nnoeabs.peaks (1.69, 7.67, 116.42 ppm; 4.96 A increased from 4.18 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 100 100 100 100 3.9-4.8 3.9/651=89, 3.0/653=86...(12) HD3 LYS 39 + H LYS 39 OK 100 100 100 100 4.1-4.9 3.9/651=89, 3.0/653=86...(12) HD2 LYS 42 - H LYS 39 far 0 68 0 - 6.7-9.5 HG2 LYS 22 - H LYS 39 far 0 83 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 655 from nnoeabs.peaks (1.69, 7.67, 116.42 ppm; 4.96 A increased from 4.18 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 39 + H LYS 39 OK 100 100 100 100 3.9-4.8 3.9/651=89, 3.0/653=86...(12) * HD3 LYS 39 + H LYS 39 OK 100 100 100 100 4.1-4.9 3.9/651=89, 3.0/653=86...(12) HD2 LYS 42 - H LYS 39 far 0 68 0 - 6.7-9.5 HG2 LYS 22 - H LYS 39 far 0 83 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 658 from nnoeabs.peaks (8.02, 8.02, 117.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 40 + H ASN 40 OK 100 100 - 100 Peak 659 from nnoeabs.peaks (4.37, 8.02, 117.69 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 40 + H ASN 40 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 32 - H ASN 40 far 0 98 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 660 from nnoeabs.peaks (2.76, 8.02, 117.69 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.96: * HB2 ASN 40 + H ASN 40 OK 96 100 100 96 2.1-2.2 2081=58, 1.8/661=51...(9) Violated in 0 structures by 0.00 A. Peak 661 from nnoeabs.peaks (2.70, 8.02, 117.69 ppm; 3.48 A increased from 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + H ASN 40 OK 100 100 100 100 3.4-3.5 1.8/660=86, 2087=85...(8) Violated in 1 structures by 0.00 A. Peak 662 from nnoeabs.peaks (7.29, 8.02, 117.69 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + H ASN 40 OK 100 100 100 100 4.0-4.4 379=100, 3.5/660=84...(6) Violated in 0 structures by 0.00 A. Peak 663 from nnoeabs.peaks (6.52, 8.02, 117.69 ppm; 5.16 A increased from 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + H ASN 40 OK 100 100 100 100 4.8-4.9 385=100, 1.7/379=95...(5) Violated in 0 structures by 0.00 A. Peak 664 from nnoeabs.peaks (8.06, 8.06, 116.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 41 + H LEU 41 OK 100 100 - 100 Peak 665 from nnoeabs.peaks (4.34, 8.06, 116.05 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 41 + H LEU 41 OK 100 100 100 100 2.9-2.9 3.0=100 HA HIS 36 - H LEU 41 far 0 76 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 666 from nnoeabs.peaks (1.62, 8.06, 116.05 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + H LEU 41 OK 100 100 100 100 2.7-2.8 2100=88, 1.8/2107=58...(10) HB3 LEU 43 - H LEU 41 far 0 93 0 - 5.9-6.3 HB3 GLN 15 - H LEU 41 far 0 90 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 667 from nnoeabs.peaks (1.43, 8.06, 116.05 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + H LEU 41 OK 100 100 100 100 3.7-3.7 2107=100, 1.8/666=86...(11) HG2 LYS 39 - H LEU 41 far 0 100 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 668 from nnoeabs.peaks (1.87, 8.06, 116.05 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 41 + H LEU 41 OK 100 100 100 100 2.3-2.5 2114=80, 2.1/669=58...(12) HB2 LYS 42 - H LEU 41 far 0 76 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 669 from nnoeabs.peaks (0.75, 8.06, 116.05 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + H LEU 41 OK 100 100 100 100 3.0-3.2 2121=84, 2.1/668=77...(13) Violated in 0 structures by 0.00 A. Peak 670 from nnoeabs.peaks (0.72, 8.06, 116.05 ppm; 3.97 A increased from 3.74 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 41 + H LEU 41 OK 100 100 100 100 3.7-4.0 2128=84, 2.1/668=82...(14) HB2 LEU 19 - H LEU 41 far 0 97 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 671 from nnoeabs.peaks (7.90, 7.90, 117.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + H LYS 42 OK 100 100 - 100 Peak 672 from nnoeabs.peaks (3.98, 7.90, 117.73 ppm; 2.78 A): 1 out of 2 assignments used, quality = 0.96: * HA LYS 42 + H LYS 42 OK 96 100 100 96 2.3-2.3 3.0=83, 189/892=36...(7) HA ALA 35 - H LYS 42 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 673 from nnoeabs.peaks (1.89, 7.90, 117.73 ppm; 4.19 A increased from 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + H LYS 42 OK 100 100 100 100 4.0-4.1 4.0=100 HG LEU 41 - H LYS 42 far 0 76 0 - 4.4-4.7 Violated in 0 structures by 0.00 A. Peak 674 from nnoeabs.peaks (2.15, 7.90, 117.73 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + H LYS 42 OK 100 100 100 100 3.3-3.7 4.0=100 HB VAL 48 - H LYS 42 far 0 97 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 675 from nnoeabs.peaks (1.35, 7.90, 117.73 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.75: HG3 LYS 42 + H LYS 42 OK 58 100 60 97 3.0-4.4 3.9/672=47, 3.0/678=36...(16) * HG2 LYS 42 + H LYS 42 OK 39 100 40 97 2.8-4.6 3.9/672=47, 3.0/678=36...(16) QB ALA 38 - H LYS 42 far 0 97 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 676 from nnoeabs.peaks (1.35, 7.90, 117.73 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.75: * HG3 LYS 42 + H LYS 42 OK 58 100 60 97 3.0-4.4 3.9/672=47, 3.0/678=36...(16) HG2 LYS 42 + H LYS 42 OK 39 100 40 97 2.8-4.6 3.9/672=47, 3.0/678=36...(16) QB ALA 38 - H LYS 42 far 0 97 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 677 from nnoeabs.peaks (1.72, 7.90, 117.73 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 42 + H LYS 42 OK 100 100 100 100 2.5-4.6 1.8/678=81, 2141/672=70...(15) HD3 LYS 39 - H LYS 42 far 0 68 0 - 6.8-7.8 HD2 LYS 39 - H LYS 42 far 0 68 0 - 7.0-7.7 HB3 LEU 37 - H LYS 42 far 0 96 0 - 8.2-8.5 Violated in 1 structures by 0.00 A. Peak 678 from nnoeabs.peaks (1.66, 7.90, 117.73 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 42 + H LYS 42 OK 100 100 100 100 2.8-4.2 2195=76, 1.8/677=75...(14) HB2 LEU 37 - H LYS 42 far 0 100 0 - 8.8-9.2 HB3 GLN 15 - H LYS 42 far 0 65 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 681 from nnoeabs.peaks (8.33, 8.33, 119.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LEU 43 OK 100 100 - 100 Peak 682 from nnoeabs.peaks (4.87, 8.33, 119.56 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 683 from nnoeabs.peaks (1.23, 8.33, 119.56 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LEU 43 + H LEU 43 OK 99 100 100 99 2.4-2.7 2232=65, 3.0/685=47...(12) HG LEU 19 - H LEU 43 far 0 92 0 - 7.8-8.5 QG2 THR 46 - H LEU 43 far 0 71 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 684 from nnoeabs.peaks (1.60, 8.33, 119.56 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.86: HB2 LEU 41 + H LEU 43 OK 86 93 100 92 3.1-3.6 4.6/892=35, 3766/4393=35...(10) ! HB3 LEU 43 - H LEU 43 far 0 100 0 - 3.6-3.8 HG3 ARG 34 - H LEU 43 far 0 89 0 - 8.6-9.7 Violated in 1 structures by 0.00 A. Peak 685 from nnoeabs.peaks (1.47, 8.33, 119.56 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + H LEU 43 OK 100 100 100 100 2.7-3.0 3.0/683=61, 2.1/687=60...(11) QB ALA 35 - H LEU 43 far 0 92 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 686 from nnoeabs.peaks (0.85, 8.33, 119.56 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 3.6-4.1 2230/3.0=83, 2.1/685=83...(8) Violated in 0 structures by 0.00 A. Peak 687 from nnoeabs.peaks (0.66, 8.33, 119.56 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H LEU 43 OK 100 100 100 100 3.6-4.0 2.1/685=78, 3.1/683=67...(11) Violated in 2 structures by 0.00 A. Peak 688 from nnoeabs.peaks (8.84, 8.84, 109.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + H THR 44 OK 100 100 - 100 Peak 689 from nnoeabs.peaks (4.65, 8.84, 109.64 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 44 + H THR 44 OK 100 100 100 100 2.9-2.9 2.9=100 HA MET 11 - H THR 44 far 0 99 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 690 from nnoeabs.peaks (4.78, 8.84, 109.64 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + H THR 44 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 691 from nnoeabs.peaks (1.28, 8.84, 109.64 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + H THR 44 OK 100 100 100 100 2.4-2.9 2275=100, 208/4.6=23...(5) HG12 ILE 50 - H THR 44 far 0 99 0 - 7.0-10.3 Violated in 0 structures by 0.00 A. Peak 692 from nnoeabs.peaks (9.24, 9.24, 121.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + H GLU 45 OK 100 100 - 100 Peak 693 from nnoeabs.peaks (3.64, 9.24, 121.30 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + H GLU 45 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 38 - H GLU 45 far 0 60 0 - 6.1-6.6 HA VAL 48 - H GLU 45 far 0 95 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 694 from nnoeabs.peaks (2.04, 9.24, 121.30 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.95: HB3 GLU 45 + H GLU 45 OK 95 100 100 95 2.2-2.4 4.0=55, 3.0/696=47...(10) ! HB2 GLU 45 - H GLU 45 far 0 100 0 - 3.5-3.6 HG3 GLU 45 - H GLU 45 far 0 65 0 - 3.8-4.1 Violated in 0 structures by 0.00 A. Peak 695 from nnoeabs.peaks (2.05, 9.24, 121.30 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.95: * HB3 GLU 45 + H GLU 45 OK 95 100 100 95 2.2-2.4 4.0=55, 3.0/696=47...(10) HB2 GLU 45 - H GLU 45 far 0 100 0 - 3.5-3.6 HG3 GLU 45 - H GLU 45 far 0 71 0 - 3.8-4.1 Violated in 0 structures by 0.00 A. Peak 696 from nnoeabs.peaks (2.40, 9.24, 121.30 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 45 + H GLU 45 OK 100 100 100 100 2.4-2.8 2297=79, 3.0/694=59...(11) HG3 GLN 47 - H GLU 45 far 0 100 0 - 5.7-7.6 Violated in 0 structures by 0.00 A. Peak 697 from nnoeabs.peaks (2.07, 9.24, 121.30 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.67: HB3 GLU 45 + H GLU 45 OK 67 71 100 94 2.2-2.4 4.0=55, 3.0/696=47...(10) HB2 GLU 45 - H GLU 45 far 0 65 0 - 3.5-3.6 ! HG3 GLU 45 - H GLU 45 far 0 100 0 - 3.8-4.1 Violated in 0 structures by 0.00 A. Peak 698 from nnoeabs.peaks (8.14, 8.14, 115.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + H THR 46 OK 100 100 - 100 Peak 699 from nnoeabs.peaks (3.90, 8.14, 115.25 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H THR 46 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 700 from nnoeabs.peaks (4.06, 8.14, 115.25 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.94: * HB THR 46 + H THR 46 OK 94 100 100 94 2.5-2.6 2313=64, 2.1/701=45...(5) HA LYS 39 - H THR 46 far 0 78 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 701 from nnoeabs.peaks (1.25, 8.14, 115.25 ppm; 3.97 A increased from 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 46 + H THR 46 OK 100 100 100 100 3.8-3.8 4.0=100 HB2 LEU 43 - H THR 46 far 0 71 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 702 from nnoeabs.peaks (8.05, 8.05, 120.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + H GLN 47 OK 100 100 - 100 Peak 703 from nnoeabs.peaks (3.96, 8.05, 120.26 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + H GLN 47 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 35 - H GLN 47 far 0 76 0 - 8.0-8.9 HA LYS 42 - H GLN 47 far 0 78 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 704 from nnoeabs.peaks (2.58, 8.05, 120.26 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.97: * HB2 GLN 47 + H GLN 47 OK 97 100 100 97 2.3-2.5 1.8/705=53, 2329=45...(12) Violated in 0 structures by 0.00 A. Peak 705 from nnoeabs.peaks (1.83, 8.05, 120.26 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + H GLN 47 OK 100 100 100 100 3.5-3.6 1.8/704=86, 4.0=72...(12) HB3 MET 11 - H GLN 47 far 0 98 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 706 from nnoeabs.peaks (2.55, 8.05, 120.26 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.98: * HG2 GLN 47 + H GLN 47 OK 98 100 100 98 2.2-2.9 2345=50, 1.8/707=50...(12) Violated in 0 structures by 0.00 A. Peak 707 from nnoeabs.peaks (2.40, 8.05, 120.26 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + H GLN 47 OK 100 100 100 100 2.5-3.6 1.8/706=89, 2353=74...(12) HG2 GLU 45 - H GLN 47 far 0 100 0 - 6.3-6.8 HG2 MET 11 - H GLN 47 far 0 89 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 710 from nnoeabs.peaks (7.68, 7.68, 118.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 48 + H VAL 48 OK 100 100 - 100 Peak 711 from nnoeabs.peaks (3.63, 7.68, 118.72 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 48 + H VAL 48 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 45 - H VAL 48 far 5 95 5 - 3.5-4.0 HA ALA 38 - H VAL 48 far 0 90 0 - 4.9-5.4 HA LEU 19 - H VAL 48 far 0 97 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 712 from nnoeabs.peaks (2.16, 7.68, 118.72 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.99: * HB VAL 48 + H VAL 48 OK 99 100 100 99 2.5-2.7 2366=77, 2.1/714=67...(9) HB2 GLN 53 - H VAL 48 far 0 93 0 - 8.7-11.1 HB3 LYS 42 - H VAL 48 far 0 97 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 713 from nnoeabs.peaks (1.00, 7.68, 118.72 ppm; 4.00 A increased from 3.76 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + H VAL 48 OK 100 100 100 100 3.8-3.8 4.0=100 QG2 VAL 16 - H VAL 48 far 0 90 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 714 from nnoeabs.peaks (0.95, 7.68, 118.72 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.99: * QG2 VAL 48 + H VAL 48 OK 99 100 100 99 2.0-2.2 2376=81, 2.1/712=59...(10) QD1 LEU 37 - H VAL 48 far 0 97 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 715 from nnoeabs.peaks (8.54, 8.54, 121.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H LYS 49 OK 100 100 - 100 Peak 716 from nnoeabs.peaks (4.33, 8.54, 121.11 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + H LYS 49 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 717 from nnoeabs.peaks (2.13, 8.54, 121.11 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LYS 49 + H LYS 49 OK 99 100 100 99 2.4-2.9 2391=77, 1.8/718=69...(13) HB2 GLN 53 - H LYS 49 far 0 76 0 - 6.6-9.2 Violated in 0 structures by 0.00 A. Peak 718 from nnoeabs.peaks (1.88, 8.54, 121.11 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 49 + H LYS 49 OK 100 100 100 100 2.2-2.6 2401=88, 1.8/717=71...(15) HB3 ARG 34 - H LYS 49 far 0 78 0 - 6.4-7.1 HG LEU 41 - H LYS 49 far 0 93 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 719 from nnoeabs.peaks (1.57, 8.54, 121.11 ppm; 4.66 A increased from 4.39 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 49 + H LYS 49 OK 100 100 100 100 4.4-4.6 3.0/717=89, 3.0/718=88...(15) HG3 ARG 34 + H LYS 49 OK 27 92 30 100 4.3-5.2 4571/229=68, 3.0/4589=67...(10) HG LEU 37 - H LYS 49 far 0 97 0 - 7.9-8.8 QB ALA 31 - H LYS 49 far 0 95 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 720 from nnoeabs.peaks (1.40, 8.54, 121.11 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + H LYS 49 OK 100 100 100 100 4.2-4.5 3.0/717=87, 3.0/718=87...(12) Violated in 0 structures by 0.00 A. Peak 721 from nnoeabs.peaks (1.70, 8.54, 121.11 ppm; 4.82 A increased from 4.29 A): 2 out of 5 assignments used, quality = 0.96: HG13 ILE 50 + H LYS 49 OK 82 97 90 94 4.3-5.8 238/232=78, 247/1031=46...(4) HD3 LYS 49 + H LYS 49 OK 80 100 80 100 4.4-5.9 3.7/717=82, 3.7/718=81...(16) ! HD2 LYS 49 - H LYS 49 far 15 100 15 - 4.6-5.9 HB3 LEU 37 - H LYS 49 far 0 60 0 - 7.6-8.4 HG2 LYS 22 - H LYS 49 far 0 97 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 722 from nnoeabs.peaks (1.70, 8.54, 121.11 ppm; 4.82 A increased from 4.29 A): 2 out of 4 assignments used, quality = 0.97: HG13 ILE 50 + H LYS 49 OK 83 97 90 94 4.3-5.8 239/232=78, 247/1031=47...(4) * HD3 LYS 49 + H LYS 49 OK 80 100 80 100 4.4-5.9 3.7/717=82, 3.7/718=81...(16) HD2 LYS 49 - H LYS 49 far 15 100 15 - 4.6-5.9 HG2 LYS 22 - H LYS 49 far 0 96 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 725 from nnoeabs.peaks (8.69, 8.69, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + H ILE 50 OK 100 100 - 100 Peak 726 from nnoeabs.peaks (3.77, 8.69, 119.98 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 50 + H ILE 50 OK 100 100 100 100 2.8-2.9 3.0=100 HA PHE 52 - H ILE 50 far 0 89 0 - 7.1-7.4 HA ARG 34 - H ILE 50 far 0 90 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 727 from nnoeabs.peaks (1.94, 8.69, 119.98 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 50 + H ILE 50 OK 100 100 100 100 2.5-2.7 2478=87, 2.1/728=46...(15) HB2 ARG 34 - H ILE 50 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 728 from nnoeabs.peaks (0.91, 8.69, 119.98 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + H ILE 50 OK 100 100 100 100 3.8-3.8 4.0=89, 2.1/727=85...(14) QD2 LEU 37 - H ILE 50 far 0 100 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 729 from nnoeabs.peaks (1.29, 8.69, 119.98 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + H ILE 50 OK 100 100 100 100 1.9-3.7 2492=98, 1.8/730=82...(13) QG2 THR 44 - H ILE 50 far 0 99 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 730 from nnoeabs.peaks (1.69, 8.69, 119.98 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 50 + H ILE 50 OK 100 100 100 100 2.0-3.5 2499=84, 1.8/729=62...(15) HD3 LYS 49 - H ILE 50 far 5 97 5 - 3.1-5.7 HD2 LYS 49 - H ILE 50 far 0 97 0 - 3.8-6.3 HB2 ARG 56 - H ILE 50 far 0 60 0 - 10.0-11.7 Violated in 2 structures by 0.01 A. Peak 731 from nnoeabs.peaks (0.80, 8.69, 119.98 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + H ILE 50 OK 100 100 100 100 2.6-3.5 2506=100, 2.1/730=88...(14) Violated in 0 structures by 0.00 A. Peak 732 from nnoeabs.peaks (8.27, 8.27, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 51 + H TRP 51 OK 100 100 - 100 Peak 733 from nnoeabs.peaks (4.02, 8.27, 121.67 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H TRP 51 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 734 from nnoeabs.peaks (3.50, 8.27, 121.67 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.98: * HB2 TRP 51 + H TRP 51 OK 98 100 100 98 2.6-2.7 1.8/735=74, 2523=66...(7) HB3 PHE 52 - H TRP 51 far 0 63 0 - 4.7-6.3 Violated in 0 structures by 0.00 A. Peak 735 from nnoeabs.peaks (3.29, 8.27, 121.67 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.98: * HB3 TRP 51 + H TRP 51 OK 98 100 100 98 2.4-2.5 1.8/734=66, 2533=65...(8) HB2 PHE 52 - H TRP 51 far 0 89 0 - 4.7-6.4 HD3 ARG 34 - H TRP 51 far 0 78 0 - 6.2-7.6 Violated in 0 structures by 0.00 A. Peak 736 from nnoeabs.peaks (7.14, 8.27, 121.67 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 51 + H TRP 51 OK 100 100 100 100 4.7-4.9 4574/735=89, 4572/2.9=83...(5) QD TYR 28 - H TRP 51 far 0 93 0 - 9.8-11.7 Violated in 1 structures by 0.00 A. Peak 737 from nnoeabs.peaks (6.97, 8.27, 121.67 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + H TRP 51 OK 100 100 100 100 4.8-5.0 4.2/735=78, 4.2/734=76...(5) HZ PHE 23 - H TRP 51 far 0 73 0 - 9.7-11.6 Violated in 2 structures by 0.00 A. Peak 742 from nnoeabs.peaks (8.94, 8.94, 119.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + H PHE 52 OK 100 100 - 100 Peak 743 from nnoeabs.peaks (3.76, 8.94, 119.28 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + H PHE 52 OK 100 100 100 100 2.7-2.8 2.9=100 HA ILE 50 - H PHE 52 far 0 89 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 744 from nnoeabs.peaks (3.27, 8.94, 119.28 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + H PHE 52 OK 99 100 100 99 2.2-3.6 4.1=71, 1.8/2605=66...(6) HB3 TRP 51 + H PHE 52 OK 83 89 100 94 3.5-3.6 4.3=61, 1.8/251=47...(5) HD3 ARG 34 - H PHE 52 far 0 100 0 - 5.5-7.4 Violated in 0 structures by 0.00 A. Peak 745 from nnoeabs.peaks (3.53, 8.94, 119.28 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.85: * HB3 PHE 52 + H PHE 52 OK 67 100 70 96 2.3-3.5 2605=63, 2.5/747=50...(7) HB2 TRP 51 + H PHE 52 OK 55 63 100 88 2.1-2.2 4.3=48, 4.1/249=34...(6) HD2 ARG 34 - H PHE 52 far 0 93 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 747 from nnoeabs.peaks (7.75, 8.94, 119.28 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 52 + H PHE 52 OK 99 100 100 99 2.2-2.4 2.5/2605=60, 4728=60...(10) H ARG 56 - H PHE 52 far 0 100 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 748 from nnoeabs.peaks (8.03, 8.03, 118.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + H GLN 53 OK 100 100 - 100 Peak 749 from nnoeabs.peaks (3.94, 8.03, 118.15 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 53 + H GLN 53 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLN 47 - H GLN 53 far 0 81 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 750 from nnoeabs.peaks (2.15, 8.03, 118.15 ppm; 3.72 A increased from 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + H GLN 53 OK 100 100 100 100 2.3-3.6 2631=100, 1.8/751=87...(7) HB2 LYS 49 - H GLN 53 far 0 76 0 - 5.7-6.3 HB VAL 48 - H GLN 53 far 0 93 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 751 from nnoeabs.peaks (2.22, 8.03, 118.15 ppm; 3.18 A): 1 out of 3 assignments used, quality = 0.97: * HB3 GLN 53 + H GLN 53 OK 97 100 100 97 2.5-2.9 2639=67, 1.8/2631=57...(6) HG2 ARG 56 - H GLN 53 far 0 83 0 - 5.1-8.2 HG3 GLU 67 - H GLN 53 far 0 65 0 - 9.9-32.7 Violated in 0 structures by 0.00 A. Peak 752 from nnoeabs.peaks (2.44, 8.03, 118.15 ppm; 4.43 A increased from 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + H GLN 53 OK 100 100 100 100 2.2-4.3 2647=100, 3.0/751=84...(6) Violated in 0 structures by 0.00 A. Peak 753 from nnoeabs.peaks (2.37, 8.03, 118.15 ppm; 4.70 A increased from 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + H GLN 53 OK 100 100 100 100 2.7-4.6 2655=100, 3.0/751=89...(6) HG2 MET 11 - H GLN 53 far 0 87 0 - 9.6-12.0 HG2 GLN 63 - H GLN 53 far 0 97 0 - 9.8-22.6 Violated in 0 structures by 0.00 A. Peak 756 from nnoeabs.peaks (8.29, 8.29, 117.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 54 + H ASN 54 OK 100 100 - 100 H SER 66 + H SER 66 OK 43 43 - 100 Peak 757 from nnoeabs.peaks (4.36, 8.29, 117.45 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HA ASN 54 + H ASN 54 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 64 - H SER 66 far 0 37 0 - 3.8-6.5 HA LEU 68 - H SER 66 far 0 48 0 - 6.1-8.6 HA LYS 49 - H ASN 54 far 0 65 0 - 6.5-7.2 HA ASN 54 - H SER 66 far 0 51 0 - 8.3-23.9 HA LEU 68 - H ASN 54 far 0 99 0 - 9.4-30.8 Violated in 0 structures by 0.00 A. Peak 758 from nnoeabs.peaks (2.48, 8.29, 117.45 ppm; 3.69 A increased from 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 54 + H ASN 54 OK 100 100 100 100 3.5-3.6 2669=95, 1.8/759=87...(7) HB2 ASN 54 - H SER 66 far 0 51 0 - 9.3-25.6 HG3 MET 11 - H ASN 54 far 0 98 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 759 from nnoeabs.peaks (2.65, 8.29, 117.45 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.97: * HB3 ASN 54 + H ASN 54 OK 97 100 100 97 2.2-2.6 2675=75, 1.8/758=54...(7) Violated in 0 structures by 0.00 A. Peak 760 from nnoeabs.peaks (7.49, 8.29, 117.45 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + H ASN 54 OK 100 100 100 100 2.8-4.5 391=89, 3.4/759=79...(6) HE22 GLN 53 - H ASN 54 far 9 92 10 - 4.2-7.3 Violated in 0 structures by 0.00 A. Peak 761 from nnoeabs.peaks (6.91, 8.29, 117.45 ppm; 5.02 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 54 + H ASN 54 OK 100 100 100 100 4.0-4.9 397=100, 1.7/760=91...(5) HE21 GLN 53 + H ASN 54 OK 24 68 35 100 4.2-6.6 4.4/267=72, 3.5/269=72...(6) Violated in 0 structures by 0.00 A. Peak 762 from nnoeabs.peaks (8.07, 8.07, 122.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + H ARG 55 OK 100 100 - 100 Peak 763 from nnoeabs.peaks (3.43, 8.07, 122.80 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + H ARG 55 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 764 from nnoeabs.peaks (0.65, 8.07, 122.80 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ARG 55 + H ARG 55 OK 99 100 100 99 2.2-3.5 4.0=77, 1.8/765=72...(7) QD1 LEU 43 - H ARG 55 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 765 from nnoeabs.peaks (-0.28, 8.07, 122.80 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ARG 55 + H ARG 55 OK 99 100 100 99 2.2-3.6 4.0=81, 1.8/764=76...(7) HG2 ARG 55 - H ARG 55 far 10 100 10 - 3.5-4.1 QD1 LEU 19 - H ARG 55 far 0 100 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 766 from nnoeabs.peaks (-0.28, 8.07, 122.80 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.98: HB3 ARG 55 + H ARG 55 OK 98 100 100 99 2.2-3.6 4.0=81, 1.8/764=76...(7) ! HG2 ARG 55 - H ARG 55 far 10 100 10 - 3.5-4.1 QD1 LEU 19 - H ARG 55 far 0 100 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 767 from nnoeabs.peaks (-0.44, 8.07, 122.80 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + H ARG 55 OK 100 100 100 100 1.9-4.0 5.1=100 Violated in 0 structures by 0.00 A. Peak 770 from nnoeabs.peaks (7.75, 7.75, 117.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + H ARG 56 OK 100 100 - 100 Peak 771 from nnoeabs.peaks (4.08, 7.75, 117.78 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 56 + H ARG 56 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 58 - H ARG 56 far 0 63 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 772 from nnoeabs.peaks (1.72, 7.75, 117.78 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + H ARG 56 OK 100 100 100 100 2.1-3.6 3.9=100 HB3 LYS 58 - H ARG 56 far 0 97 0 - 5.0-6.4 HB3 ARG 61 - H ARG 56 far 0 99 0 - 7.0-14.6 HD2 LYS 49 - H ARG 56 far 0 87 0 - 8.6-11.9 HD3 LYS 49 - H ARG 56 far 0 85 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 773 from nnoeabs.peaks (2.04, 7.75, 117.78 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ARG 56 + H ARG 56 OK 99 100 100 99 2.2-3.0 3.9=83, 290/287=50...(7) Violated in 0 structures by 0.00 A. Peak 774 from nnoeabs.peaks (2.20, 7.75, 117.78 ppm; 4.20 A increased from 3.95 A): 1 out of 2 assignments used, quality = 0.95: * HG2 ARG 56 + H ARG 56 OK 95 100 95 100 3.5-4.4 4.6=75, 1.8/775=75...(6) HB3 GLN 53 - H ARG 56 far 0 83 0 - 5.2-6.3 Violated in 1 structures by 0.01 A. Peak 775 from nnoeabs.peaks (1.45, 7.75, 117.78 ppm; 4.26 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 56 + H ARG 56 OK 100 100 100 100 2.6-4.3 4.6=78, 1.8/774=78...(6) HG3 LYS 58 - H ARG 56 poor 20 100 20 - 4.2-6.7 HG2 LYS 62 - H ARG 56 far 0 83 0 - 6.9-17.6 HG3 LYS 62 - H ARG 56 far 0 83 0 - 7.1-17.5 HG2 LYS 60 - H ARG 56 far 0 65 0 - 9.2-13.5 HG3 LYS 60 - H ARG 56 far 0 68 0 - 9.4-12.9 Violated in 1 structures by 0.00 A. Peak 778 from nnoeabs.peaks (7.56, 7.56, 119.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TYR 57 + H TYR 57 OK 100 100 - 100 H GLU 18 + H GLU 18 OK 69 69 - 100 Peak 779 from nnoeabs.peaks (4.44, 7.56, 119.05 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + H TYR 57 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 65 - H TYR 57 far 0 100 0 - 7.1-20.0 HA SER 66 - H TYR 57 far 0 95 0 - 8.7-23.6 Violated in 0 structures by 0.00 A. Peak 780 from nnoeabs.peaks (3.09, 7.56, 119.05 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.97: * HB2 TYR 57 + H TYR 57 OK 97 100 100 97 2.2-2.4 1.8/781=68, 2799=59...(7) HB3 PHE 23 - H GLU 18 far 0 65 0 - 9.0-9.7 HB3 PHE 23 - H TYR 57 far 0 92 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 781 from nnoeabs.peaks (3.17, 7.56, 119.05 ppm; 3.30 A): 1 out of 5 assignments used, quality = 0.98: * HB3 TYR 57 + H TYR 57 OK 98 100 100 98 2.7-3.0 1.8/780=73, 2805=68...(7) HD3 ARG 61 - H TYR 57 far 0 71 0 - 7.8-14.3 HD2 ARG 61 - H TYR 57 far 0 71 0 - 8.4-14.2 HB2 PHE 23 - H GLU 18 far 0 69 0 - 8.7-9.4 HB2 PHE 23 - H TYR 57 far 0 96 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 783 from nnoeabs.peaks (7.14, 7.56, 119.05 ppm; 4.30 A increased from 4.04 A): 1 out of 5 assignments used, quality = 1.00: * QD TYR 57 + H TYR 57 OK 100 100 100 100 4.0-4.1 4.4=95, 2.5/780=89...(6) HD2 HIS 13 - H GLU 18 far 0 56 0 - 6.9-7.8 QD TYR 28 - H TYR 57 far 0 93 0 - 8.6-10.6 HD1 TRP 51 - H GLU 18 far 0 76 0 - 8.8-9.8 HD1 TRP 51 - H TYR 57 far 0 100 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 784 from nnoeabs.peaks (7.68, 7.68, 119.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + H LYS 58 OK 100 100 - 100 Peak 785 from nnoeabs.peaks (4.11, 7.68, 119.80 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 58 + H LYS 58 OK 100 100 100 100 2.9-2.9 3.0=100 HA ARG 56 - H LYS 58 far 0 63 0 - 3.9-4.6 Violated in 0 structures by 0.00 A. Peak 786 from nnoeabs.peaks (1.80, 7.68, 119.80 ppm; 3.78 A increased from 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + H LYS 58 OK 100 100 100 100 3.6-3.6 1.8/787=86, 4.0=84...(11) HB3 LYS 62 - H LYS 58 far 0 65 0 - 5.2-14.0 HB2 LYS 62 - H LYS 58 far 0 68 0 - 5.6-15.0 HB3 LYS 60 - H LYS 58 far 0 73 0 - 5.6-9.3 HB2 ARG 61 - H LYS 58 far 0 98 0 - 7.3-11.5 Violated in 0 structures by 0.00 A. Peak 787 from nnoeabs.peaks (1.73, 7.68, 119.80 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LYS 58 + H LYS 58 OK 98 100 100 98 2.3-2.9 1.8/786=57, 4.0=55...(11) HB2 ARG 56 - H LYS 58 far 0 97 0 - 5.1-5.9 HB3 ARG 61 - H LYS 58 far 0 100 0 - 5.7-12.1 Violated in 0 structures by 0.00 A. Peak 788 from nnoeabs.peaks (1.36, 7.68, 119.80 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + H LYS 58 OK 100 100 100 100 2.6-4.1 1.8/789=81, 2.8/787=80...(14) HD3 LYS 27 - H LYS 58 far 0 68 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 789 from nnoeabs.peaks (1.45, 7.68, 119.80 ppm; 4.07 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + H LYS 58 OK 100 100 100 100 1.9-3.0 2.8/787=76, 2863=74...(15) HG3 LYS 62 - H LYS 58 far 0 81 0 - 4.7-15.4 HG2 LYS 62 - H LYS 58 far 0 81 0 - 4.9-15.1 HG3 ARG 56 - H LYS 58 far 0 100 0 - 6.2-7.1 HG2 LYS 60 - H LYS 58 far 0 63 0 - 6.9-11.1 HG3 LYS 60 - H LYS 58 far 0 65 0 - 7.4-10.3 Violated in 0 structures by 0.00 A. Peak 790 from nnoeabs.peaks (1.54, 7.68, 119.80 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + H LYS 58 OK 100 100 100 100 3.7-5.0 3.5/787=85, 3.0/789=81...(14) * HD2 LYS 58 + H LYS 58 OK 90 100 90 100 3.6-5.2 3.5/787=85, 3.0/789=81...(14) Violated in 0 structures by 0.00 A. Peak 791 from nnoeabs.peaks (1.54, 7.68, 119.80 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + H LYS 58 OK 100 100 100 100 3.7-5.0 3.5/787=85, 3.0/789=81...(14) HD2 LYS 58 + H LYS 58 OK 90 100 90 100 3.6-5.2 3.5/787=85, 3.0/789=81...(14) Violated in 0 structures by 0.00 A. Peak 794 from nnoeabs.peaks (7.72, 7.72, 113.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + H THR 59 OK 100 100 - 100 Peak 795 from nnoeabs.peaks (4.26, 7.72, 113.00 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 59 + H THR 59 OK 100 100 100 100 2.8-2.9 3.0=100 HB THR 59 + H THR 59 OK 70 81 95 91 2.4-3.7 4.0=67, 2.1/797=64...(6) HA LYS 60 - H THR 59 far 0 100 0 - 4.5-6.4 HA ARG 61 - H THR 59 far 0 87 0 - 5.8-8.9 HA LYS 62 - H THR 59 far 0 100 0 - 6.1-11.6 Violated in 0 structures by 0.00 A. Peak 796 from nnoeabs.peaks (4.28, 7.72, 113.00 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.95: HA THR 59 + H THR 59 OK 81 81 100 100 2.8-2.9 3.0=100 * HB THR 59 + H THR 59 OK 76 100 85 89 2.4-3.7 4.0=62, 2.1/797=61...(6) HA LYS 60 - H THR 59 far 0 87 0 - 4.5-6.4 HA LYS 62 - H THR 59 far 0 76 0 - 6.1-11.6 Violated in 0 structures by 0.00 A. Peak 797 from nnoeabs.peaks (1.29, 7.72, 113.00 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.87: * QG2 THR 59 + H THR 59 OK 87 100 95 91 2.3-3.8 4.0=79, 2.1/796=35...(4) Violated in 2 structures by 0.01 A. Peak 798 from nnoeabs.peaks (7.98, 7.98, 123.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + H LYS 60 OK 100 100 - 100 Peak 799 from nnoeabs.peaks (4.26, 7.98, 123.03 ppm; 3.49 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 60 + H LYS 60 OK 100 100 100 100 2.3-2.9 3.0=100 HA THR 59 + H LYS 60 OK 97 100 100 97 2.2-3.6 3.6=95, 4681/3.8=26...(4) HB THR 59 + H LYS 60 OK 21 87 40 59 2.1-4.5 4.7=42, ~4881=18, 795/4.6=13 HA ARG 61 - H LYS 60 far 0 81 0 - 4.6-6.4 HA LYS 62 - H LYS 60 far 0 100 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 800 from nnoeabs.peaks (1.83, 7.98, 123.03 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 60 + H LYS 60 OK 100 100 100 100 2.5-4.0 3.8=100 HB2 ARG 61 - H LYS 60 far 4 73 5 - 4.2-7.6 HB2 LYS 62 - H LYS 60 far 0 99 0 - 5.4-11.0 Violated in 0 structures by 0.00 A. Peak 801 from nnoeabs.peaks (1.78, 7.98, 123.03 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 60 + H LYS 60 OK 100 100 100 100 2.2-3.9 3.8=100 HB2 LYS 58 - H LYS 60 far 0 73 0 - 4.9-7.3 HB3 LYS 62 - H LYS 60 far 0 100 0 - 6.0-10.1 Violated in 1 structures by 0.00 A. Peak 802 from nnoeabs.peaks (1.43, 7.98, 123.03 ppm; 4.77 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 60 + H LYS 60 OK 99 100 100 99 2.0-4.8 4.9=91, 2929/3.0=22...(19) HG3 LYS 60 + H LYS 60 OK 99 100 100 99 2.3-4.8 4.9=91, 2929/3.0=22...(19) HG2 LYS 62 - H LYS 60 far 5 99 5 - 4.8-11.3 HG3 LYS 62 - H LYS 60 far 0 99 0 - 5.6-10.8 HG3 LYS 58 - H LYS 60 far 0 63 0 - 5.9-8.8 HG3 ARG 56 - H LYS 60 far 0 65 0 - 7.3-10.0 HB2 LYS 27 - H LYS 60 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 803 from nnoeabs.peaks (1.43, 7.98, 123.03 ppm; 4.77 A): 2 out of 7 assignments used, quality = 1.00: HG2 LYS 60 + H LYS 60 OK 99 100 100 99 2.0-4.8 4.9=91, 2929/3.0=22...(19) * HG3 LYS 60 + H LYS 60 OK 99 100 100 99 2.3-4.8 4.9=91, 3075/3.0=22...(19) HG2 LYS 62 - H LYS 60 far 5 99 5 - 4.8-11.3 HG3 LYS 62 - H LYS 60 far 0 99 0 - 5.6-10.8 HG3 LYS 58 - H LYS 60 far 0 65 0 - 5.9-8.8 HG3 ARG 56 - H LYS 60 far 0 68 0 - 7.3-10.0 HB2 LYS 27 - H LYS 60 far 0 98 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 808 from nnoeabs.peaks (8.17, 8.17, 121.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + H ARG 61 OK 100 100 - 100 Peak 809 from nnoeabs.peaks (4.24, 8.17, 121.81 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 61 + H ARG 61 OK 100 100 100 100 2.3-2.9 3.0=100 HA LYS 60 + H ARG 61 OK 35 81 50 88 2.3-3.6 3.6=75, 3.0/318=38...(5) HA THR 59 - H ARG 61 far 0 87 0 - 3.4-7.0 HA LYS 62 - H ARG 61 far 0 90 0 - 4.6-6.4 Violated in 0 structures by 0.00 A. Peak 810 from nnoeabs.peaks (1.81, 8.17, 121.81 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.92: * HB2 ARG 61 + H ARG 61 OK 89 100 90 99 2.2-4.0 4.0=80, 1.8/811=76...(11) HB2 LYS 60 + H ARG 61 OK 24 73 45 72 2.3-4.4 4.4=62, 3.0/316=23 HB2 LYS 62 - H ARG 61 far 0 89 0 - 4.2-7.7 HB2 LYS 58 - H ARG 61 far 0 98 0 - 5.3-10.5 Violated in 0 structures by 0.00 A. Peak 811 from nnoeabs.peaks (1.73, 8.17, 121.81 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.98: * HB3 ARG 61 + H ARG 61 OK 98 100 100 98 2.5-3.7 4.0=75, 1.8/810=56...(11) HB3 LYS 58 - H ARG 61 far 0 100 0 - 6.2-11.1 HB2 ARG 56 - H ARG 61 far 0 99 0 - 6.6-12.7 Violated in 1 structures by 0.00 A. Peak 812 from nnoeabs.peaks (1.60, 8.17, 121.81 ppm; 4.50 A increased from 4.00 A): 2 out of 4 assignments used, quality = 1.00: HG3 ARG 61 + H ARG 61 OK 100 100 100 100 2.0-4.6 2.9/811=80, 4.9=76...(12) * HG2 ARG 61 + H ARG 61 OK 90 100 90 100 2.0-4.6 2.9/811=80, 4.9=76...(12) HG LEU 68 - H ARG 61 far 4 85 5 - 4.6-24.0 HB3 LEU 64 - H ARG 61 far 0 81 0 - 7.0-14.6 Violated in 0 structures by 0.00 A. Peak 813 from nnoeabs.peaks (1.59, 8.17, 121.81 ppm; 4.50 A increased from 4.00 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 61 + H ARG 61 OK 100 100 100 100 2.0-4.6 2.9/811=80, 4.9=76...(12) HG2 ARG 61 + H ARG 61 OK 90 100 90 100 2.0-4.6 2.9/811=80, 4.9=76...(12) HG LEU 68 - H ARG 61 far 4 83 5 - 4.6-24.0 HB3 LEU 64 - H ARG 61 far 0 78 0 - 7.0-14.6 Violated in 0 structures by 0.00 A. Peak 816 from nnoeabs.peaks (8.30, 8.30, 122.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 62 + H LYS 62 OK 100 100 - 100 Peak 817 from nnoeabs.peaks (4.26, 8.30, 122.70 ppm; 3.10 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 62 + H LYS 62 OK 100 100 100 100 2.3-2.9 2.9=100 HA ARG 61 + H LYS 62 OK 50 90 65 85 2.2-3.6 3.6=65, 3.0/328=36...(5) HB THR 59 - H LYS 62 far 4 76 5 - 3.0-9.9 HA LYS 60 - H LYS 62 far 0 100 0 - 3.4-6.7 HA THR 59 - H LYS 62 far 0 100 0 - 4.9-10.5 Violated in 0 structures by 0.00 A. Peak 818 from nnoeabs.peaks (1.83, 8.30, 122.70 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.93: * HB2 LYS 62 + H LYS 62 OK 88 100 90 97 2.2-4.1 4.0=82, 335/4.6=33...(17) HB2 ARG 61 + H LYS 62 OK 46 89 55 95 2.3-4.5 1.8/328=70, 4.6=54...(6) HB2 LYS 60 - H LYS 62 far 5 99 5 - 2.5-7.9 HB2 LYS 58 - H LYS 62 far 0 68 0 - 7.1-12.6 Violated in 0 structures by 0.00 A. Peak 819 from nnoeabs.peaks (1.77, 8.30, 122.70 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.90: * HB3 LYS 62 + H LYS 62 OK 90 100 100 90 2.2-3.5 4.0=67, 2.9/821=22...(17) HB3 LYS 60 - H LYS 62 far 15 100 15 - 3.1-7.8 HB2 LYS 58 - H LYS 62 far 0 65 0 - 7.1-12.6 Violated in 1 structures by 0.00 A. Peak 820 from nnoeabs.peaks (1.43, 8.30, 122.70 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.99: HG3 LYS 62 + H LYS 62 OK 95 100 95 100 2.1-4.7 2.9/819=81, 4.9=76...(21) * HG2 LYS 62 + H LYS 62 OK 75 100 75 100 2.2-4.8 2.9/819=81, 4.9=76...(21) HG3 LYS 60 - H LYS 62 far 15 99 15 - 2.2-8.5 HG2 LYS 60 - H LYS 62 far 15 99 15 - 2.0-7.8 HG3 ARG 56 - H LYS 62 far 0 83 0 - 7.5-14.0 HG3 LYS 58 - H LYS 62 far 0 81 0 - 7.6-13.3 HB2 LYS 27 - H LYS 62 far 0 92 0 - 8.5-16.2 Violated in 0 structures by 0.00 A. Peak 821 from nnoeabs.peaks (1.43, 8.30, 122.70 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.99: * HG3 LYS 62 + H LYS 62 OK 95 100 95 100 2.1-4.7 2.9/819=81, 4.9=76...(21) HG2 LYS 62 + H LYS 62 OK 75 100 75 100 2.2-4.8 2.9/819=81, 4.9=76...(21) HG3 LYS 60 - H LYS 62 far 15 99 15 - 2.2-8.5 HG2 LYS 60 - H LYS 62 far 15 99 15 - 2.0-7.8 HG3 ARG 56 - H LYS 62 far 0 83 0 - 7.5-14.0 HG3 LYS 58 - H LYS 62 far 0 81 0 - 7.6-13.3 HB2 LYS 27 - H LYS 62 far 0 92 0 - 8.5-16.2 Violated in 0 structures by 0.00 A. Peak 826 from nnoeabs.peaks (8.38, 8.38, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + H GLN 63 OK 100 100 - 100 Peak 827 from nnoeabs.peaks (4.31, 8.38, 121.72 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 63 + H GLN 63 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 67 - H GLN 63 far 0 100 0 - 6.8-12.4 Violated in 0 structures by 0.00 A. Peak 828 from nnoeabs.peaks (2.08, 8.38, 121.72 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 63 + H GLN 63 OK 100 100 100 100 2.5-4.0 3.9=100 HB2 GLU 67 - H GLN 63 far 0 98 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. Peak 829 from nnoeabs.peaks (2.00, 8.38, 121.72 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.89: * HB3 GLN 63 + H GLN 63 OK 89 100 100 89 2.2-3.7 3.9=80, 3.0/831=20...(4) Violated in 2 structures by 0.00 A. Peak 830 from nnoeabs.peaks (2.36, 8.38, 121.72 ppm; 4.67 A increased from 4.15 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 63 + H GLN 63 OK 97 100 100 97 2.1-4.7 3.0/829=82, 5.1=75...(5) * HG2 GLN 63 + H GLN 63 OK 97 100 100 97 2.2-4.6 3.0/829=82, 5.1=75...(5) Violated in 0 structures by 0.00 A. Peak 831 from nnoeabs.peaks (2.36, 8.38, 121.72 ppm; 4.67 A increased from 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + H GLN 63 OK 97 100 100 97 2.1-4.7 3.0/829=82, 5.1=75...(5) HG2 GLN 63 + H GLN 63 OK 97 100 100 97 2.2-4.6 3.0/829=82, 5.1=75...(5) Violated in 0 structures by 0.00 A. Peak 834 from nnoeabs.peaks (8.38, 8.38, 123.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 Peak 835 from nnoeabs.peaks (4.37, 8.38, 123.55 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 100 100 2.3-2.9 2.9=100 HA LEU 68 - H LEU 64 far 0 97 0 - 8.7-13.6 HA ASN 54 - H LEU 64 far 0 85 0 - 9.6-20.8 Violated in 0 structures by 0.00 A. Peak 836 from nnoeabs.peaks (1.66, 8.38, 123.55 ppm; 3.33 A): 1 out of 7 assignments used, quality = 0.95: * HB2 LEU 64 + H LEU 64 OK 95 100 100 95 2.2-3.1 3.8=68, 3.1/3236=32...(16) HG LEU 64 - H LEU 64 far 4 78 5 - 3.0-4.9 HD3 LYS 62 - H LEU 64 far 0 99 0 - 4.2-9.8 HD2 LYS 62 - H LEU 64 far 0 98 0 - 4.9-9.8 HD2 LYS 60 - H LEU 64 far 0 97 0 - 8.0-15.7 HD3 LYS 60 - H LEU 64 far 0 98 0 - 8.4-14.2 HB2 LEU 68 - H LEU 64 far 0 71 0 - 8.6-14.8 Violated in 0 structures by 0.00 A. Peak 837 from nnoeabs.peaks (1.62, 8.38, 123.55 ppm; 3.96 A increased from 3.52 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 100 100 100 100 2.3-3.8 3.8=100 HG LEU 64 - H LEU 64 far 8 78 10 - 3.0-4.9 HG2 ARG 61 - H LEU 64 far 0 81 0 - 5.3-11.6 HG3 ARG 61 - H LEU 64 far 0 78 0 - 6.1-12.3 HB2 LEU 68 - H LEU 64 far 0 85 0 - 8.6-14.8 HG LEU 68 - H LEU 64 far 0 100 0 - 8.7-16.1 HB3 LEU 68 - H LEU 64 far 0 93 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 838 from nnoeabs.peaks (1.64, 8.38, 123.55 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.90: HB2 LEU 64 + H LEU 64 OK 76 78 100 97 2.2-3.1 3.8=80, 3.1/3236=36...(16) HB3 LEU 64 + H LEU 64 OK 57 78 75 97 2.3-3.8 3.8=80, 3.1/3236=36...(14) ! HG LEU 64 - H LEU 64 far 5 100 5 - 3.0-4.9 HB2 LEU 68 - H LEU 64 far 0 100 0 - 8.6-14.8 HG LEU 68 - H LEU 64 far 0 73 0 - 8.7-16.1 HB3 LEU 68 - H LEU 64 far 0 99 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 839 from nnoeabs.peaks (0.91, 8.38, 123.55 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 2.3-5.0 4.7=100 Violated in 0 structures by 0.00 A. Peak 840 from nnoeabs.peaks (0.85, 8.38, 123.55 ppm; 5.86 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 3.1-4.3 4.7=100 QD1 LEU 68 - H LEU 64 far 0 95 0 - 7.0-13.5 QD2 LEU 68 - H LEU 64 far 0 97 0 - 8.3-14.1 Violated in 0 structures by 0.00 A. Peak 841 from nnoeabs.peaks (8.35, 8.35, 116.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + H SER 65 OK 100 100 - 100 Peak 842 from nnoeabs.peaks (4.43, 8.35, 116.28 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 65 + H SER 65 OK 100 100 100 100 2.3-2.9 2.9=100 HA SER 66 - H SER 65 lone 1 90 30 2 4.7-5.7 HA TYR 57 - H SER 65 far 0 100 0 - 6.3-16.7 Violated in 0 structures by 0.00 A. Peak 843 from nnoeabs.peaks (3.93, 8.35, 116.28 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 65 + H SER 65 OK 100 100 100 100 2.2-3.9 3.9=100 HB2 SER 66 - H SER 65 far 14 96 15 - 4.2-7.5 Violated in 0 structures by 0.00 A. Peak 844 from nnoeabs.peaks (3.87, 8.35, 116.28 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 65 + H SER 65 OK 100 100 100 100 2.3-4.0 3.9=100 HB3 SER 66 - H SER 65 far 0 100 0 - 5.0-7.2 Violated in 0 structures by 0.00 A. Peak 845 from nnoeabs.peaks (8.28, 8.28, 117.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 66 + H SER 66 OK 100 100 - 100 H ASN 54 + H ASN 54 OK 43 43 - 100 Peak 846 from nnoeabs.peaks (4.45, 8.28, 117.12 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 66 + H SER 66 OK 100 100 100 100 2.3-2.9 3.0=100 HA SER 65 + H SER 66 OK 90 90 100 100 2.1-3.6 3.6=100 HA TYR 57 - H SER 66 far 0 95 0 - 4.8-18.9 HA TYR 57 - H ASN 54 far 0 44 0 - 6.9-7.3 HA SER 65 - H ASN 54 far 0 41 0 - 10.0-24.1 Violated in 0 structures by 0.00 A. Peak 847 from nnoeabs.peaks (3.94, 8.28, 117.12 ppm; 4.78 A): 3 out of 6 assignments used, quality = 1.00: * HB2 SER 66 + H SER 66 OK 100 100 100 100 2.2-3.9 4.0=100 HB2 SER 65 + H SER 66 OK 96 96 100 100 2.0-4.6 4.5=100 HA GLN 53 + H ASN 54 OK 50 50 100 100 3.6-3.6 3.6=100 HA GLN 53 - H SER 66 far 0 100 0 - 8.1-22.8 HA GLN 47 - H ASN 54 far 0 41 0 - 8.2-8.7 HB2 SER 65 - H ASN 54 far 0 45 0 - 9.5-25.0 Violated in 0 structures by 0.00 A. Peak 848 from nnoeabs.peaks (3.87, 8.28, 117.12 ppm; 4.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 66 + H SER 66 OK 100 100 100 100 2.3-4.0 4.0=100 HB3 SER 65 + H SER 66 OK 100 100 100 100 2.1-4.5 4.5=100 HB3 SER 65 - H ASN 54 far 0 51 0 - 9.2-23.8 Violated in 0 structures by 0.00 A. Peak 849 from nnoeabs.peaks (8.40, 8.40, 122.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + H GLU 67 OK 100 100 - 100 Peak 850 from nnoeabs.peaks (4.31, 8.40, 122.42 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + H GLU 67 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 63 - H GLU 67 far 0 100 0 - 6.5-11.7 Violated in 0 structures by 0.00 A. Peak 851 from nnoeabs.peaks (2.09, 8.40, 122.42 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 67 + H GLU 67 OK 100 100 100 100 2.2-3.9 4.0=100 HB2 GLN 63 - H GLU 67 far 0 98 0 - 6.7-12.2 Violated in 0 structures by 0.00 A. Peak 852 from nnoeabs.peaks (1.96, 8.40, 122.42 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.97: * HB3 GLU 67 + H GLU 67 OK 97 100 100 97 2.3-3.8 4.0=85, 2.8/853=45...(4) HD3 ARG 55 - H GLU 67 far 0 96 0 - 9.3-31.0 Violated in 0 structures by 0.00 A. Peak 853 from nnoeabs.peaks (2.28, 8.40, 122.42 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.97: * HG2 GLU 67 + H GLU 67 OK 97 100 100 97 2.3-4.6 4.9=83, 2.8/852=81 Violated in 0 structures by 0.00 A. Peak 854 from nnoeabs.peaks (2.25, 8.40, 122.42 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + H GLU 67 OK 100 100 100 100 2.7-4.8 4.9=96, 2.8/852=86 Violated in 0 structures by 0.00 A. Peak 855 from nnoeabs.peaks (8.14, 8.14, 122.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H LEU 68 OK 100 100 - 100 Peak 856 from nnoeabs.peaks (4.36, 8.14, 122.19 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 68 + H LEU 68 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 64 - H LEU 68 far 0 97 0 - 7.3-12.0 HA ASN 54 - H LEU 68 far 0 99 0 - 7.5-28.1 Violated in 0 structures by 0.00 A. Peak 857 from nnoeabs.peaks (1.64, 8.14, 122.19 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.94: * HB2 LEU 68 + H LEU 68 OK 78 100 90 87 2.2-3.6 3.8=76, ~3326=8, ~3333=8...(12) HB3 LEU 68 + H LEU 68 OK 74 100 85 87 2.4-4.0 3.8=76, ~3326=8, ~3333=8...(12) HG LEU 68 - H LEU 68 far 12 81 15 - 2.1-4.6 HB3 LEU 64 - H LEU 68 far 0 85 0 - 6.2-13.1 HG LEU 64 - H LEU 68 far 0 100 0 - 6.4-15.0 HB2 LEU 64 - H LEU 68 far 0 71 0 - 7.4-13.9 Violated in 0 structures by 0.00 A. Peak 858 from nnoeabs.peaks (1.63, 8.14, 122.19 ppm; 3.46 A): 2 out of 5 assignments used, quality = 0.94: HB2 LEU 68 + H LEU 68 OK 78 100 90 87 2.2-3.6 3.8=76, ~3326=8, ~3333=8...(12) * HB3 LEU 68 + H LEU 68 OK 74 100 85 87 2.4-4.0 3.8=76, ~3326=8, ~3333=8...(12) HG LEU 68 - H LEU 68 far 14 90 15 - 2.1-4.6 HB3 LEU 64 - H LEU 68 far 0 93 0 - 6.2-13.1 HG LEU 64 - H LEU 68 far 0 99 0 - 6.4-15.0 Violated in 0 structures by 0.00 A. Peak 859 from nnoeabs.peaks (1.61, 8.14, 122.19 ppm; 3.79 A): 2 out of 7 assignments used, quality = 0.97: HB3 LEU 68 + H LEU 68 OK 86 90 95 100 2.4-4.0 3.8=100 HB2 LEU 68 + H LEU 68 OK 81 81 100 100 2.2-3.6 3.8=100 ! HG LEU 68 - H LEU 68 poor 16 100 20 81 2.1-4.6 4.9=47, ~3326=15...(9) HG3 ARG 61 - H LEU 68 far 0 83 0 - 4.9-20.7 HG2 ARG 61 - H LEU 68 far 0 85 0 - 5.5-21.2 HB3 LEU 64 - H LEU 68 far 0 100 0 - 6.2-13.1 HG LEU 64 - H LEU 68 far 0 73 0 - 6.4-15.0 Violated in 0 structures by 0.00 A. Peak 862 from nnoeabs.peaks (7.90, 7.90, 115.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 69 + H GLY 69 OK 100 100 - 100 Peak 863 from nnoeabs.peaks (3.75, 7.90, 115.34 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HA2 GLY 69 + H GLY 69 OK 100 100 100 100 2.3-2.9 3.0=100 HA3 GLY 69 + H GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 50 - H GLY 69 far 0 63 0 - 9.2-33.0 Violated in 0 structures by 0.00 A. Peak 864 from nnoeabs.peaks (3.75, 7.90, 115.34 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 69 + H GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 69 + H GLY 69 OK 100 100 100 100 2.3-2.9 3.0=100 HA ILE 50 - H GLY 69 far 0 65 0 - 9.2-33.0 Violated in 0 structures by 0.00 A. Peak 866 from nnoeabs.peaks (7.51, 7.92, 111.33 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.98: * H GLN 15 + H THR 14 OK 98 100 100 98 2.4-2.7 15=73, 3358/504=45...(8) Violated in 0 structures by 0.00 A. Peak 867 from nnoeabs.peaks (7.83, 7.51, 120.36 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H GLN 15 OK 100 100 100 100 2.6-2.9 19=100, 868/934=38...(13) Violated in 0 structures by 0.00 A. Peak 868 from nnoeabs.peaks (8.01, 7.83, 117.36 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 17 + H VAL 16 OK 99 100 100 99 2.5-2.8 27=80, 29/516=53...(11) H LEU 19 - H VAL 16 far 0 68 0 - 5.0-5.3 H LYS 22 - H VAL 16 far 0 83 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 869 from nnoeabs.peaks (7.55, 8.01, 118.34 ppm; 3.37 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 18 + H ILE 17 OK 98 100 100 98 2.6-3.0 32=62, 34/521=48...(12) QE PHE 52 - H HIS 36 far 0 36 0 - 8.9-9.9 QE PHE 52 - H ILE 17 far 0 76 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 870 from nnoeabs.peaks (7.98, 7.55, 119.23 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 19 + H GLU 18 OK 100 100 100 100 2.7-2.8 39=100, 4.3/529=39...(11) H ILE 17 + H GLU 18 OK 66 68 100 97 2.6-3.0 869=56, 4.0/34=39...(11) H LYS 60 - H TYR 57 far 0 76 0 - 5.5-8.4 Violated in 0 structures by 0.00 A. Peak 871 from nnoeabs.peaks (8.41, 7.98, 124.25 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + H LEU 19 OK 100 100 100 100 2.4-2.7 45=100, 47/4.0=37...(13) H ALA 38 - H LEU 19 far 0 65 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 872 from nnoeabs.peaks (8.31, 8.41, 118.68 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + H GLU 20 OK 100 100 100 100 2.6-2.9 52=100, 955/3.0=62...(12) Violated in 0 structures by 0.00 A. Peak 873 from nnoeabs.peaks (8.03, 8.31, 121.06 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 22 + H ARG 21 OK 99 100 100 99 2.7-2.9 58=91, 60/547=57...(9) H ILE 17 - H ARG 21 far 0 83 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 874 from nnoeabs.peaks (8.99, 8.03, 120.92 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 23 + H LYS 22 OK 99 100 100 99 2.3-2.8 66=88, 4.3/555=43...(8) Violated in 0 structures by 0.00 A. Peak 875 from nnoeabs.peaks (8.13, 8.99, 121.58 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + H PHE 23 OK 100 100 100 100 2.6-2.9 76=100, 78/565=54...(7) H LYS 27 - H PHE 23 far 0 99 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 876 from nnoeabs.peaks (7.63, 8.13, 111.74 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.96: * H HIS 25 + H SER 24 OK 96 100 100 96 2.6-2.8 82=89, 4.4/571=26...(5) HE22 GLN 26 - H SER 24 far 0 97 0 - 7.0-9.8 Violated in 0 structures by 0.00 A. Peak 877 from nnoeabs.peaks (8.51, 7.63, 118.44 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + H HIS 25 OK 100 100 100 100 2.5-2.7 86=100, 89/576=37...(4) H LEU 29 - H HIS 25 far 0 100 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 878 from nnoeabs.peaks (8.12, 8.51, 121.11 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 27 + H GLN 26 OK 100 100 100 100 4.3-4.4 92/2.9=91, 91=91...(6) H SER 24 + H GLN 26 OK 89 99 100 89 4.3-4.5 876/86=68, 3.6/4186=66 Violated in 0 structures by 0.00 A. Peak 879 from nnoeabs.peaks (7.50, 8.12, 119.98 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.96: * H TYR 28 + H LYS 27 OK 96 100 100 96 2.0-2.7 99=62, 4.1/589=36...(8) QE PHE 52 - H LYS 27 far 0 68 0 - 5.1-6.0 HE21 GLN 63 - H LYS 27 far 0 60 0 - 9.1-27.8 Violated in 0 structures by 0.00 A. Peak 883 from nnoeabs.peaks (8.73, 7.21, 117.78 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H GLU 33 OK 100 100 100 100 2.6-2.8 133=100, 136/619=53...(9) Violated in 0 structures by 0.00 A. Peak 884 from nnoeabs.peaks (8.15, 8.73, 121.67 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + H ARG 34 OK 100 100 100 100 2.5-2.8 139=100, 141/624=45...(13) Violated in 0 structures by 0.00 A. Peak 885 from nnoeabs.peaks (7.99, 8.15, 120.97 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + H ALA 35 OK 100 100 100 100 2.6-2.9 147=100, 149/632=64...(7) H ASN 40 - H ALA 35 far 0 63 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 886 from nnoeabs.peaks (8.07, 7.99, 118.30 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.91: * H LEU 37 + H HIS 36 OK 91 100 100 91 2.5-2.7 150=68, 153/636=32...(7) H LEU 41 - H HIS 36 far 0 97 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 887 from nnoeabs.peaks (8.44, 8.07, 120.69 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H LEU 37 OK 100 100 100 100 2.5-2.6 155=93, 158/641=47...(13) Violated in 0 structures by 0.00 A. Peak 888 from nnoeabs.peaks (7.67, 8.44, 119.33 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + H ALA 38 OK 100 100 100 100 2.7-2.9 162=99, 164/647=56...(11) H VAL 48 - H ALA 38 far 0 98 0 - 6.2-6.8 HE22 GLN 26 - H ALA 38 far 0 60 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 889 from nnoeabs.peaks (8.02, 7.67, 116.42 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 40 + H LYS 39 OK 100 100 100 100 2.6-2.7 165=94, 4.1/651=37...(15) H HIS 36 - H LYS 39 far 0 63 0 - 4.9-5.1 Violated in 0 structures by 0.00 A. Peak 890 from nnoeabs.peaks (8.06, 8.02, 117.69 ppm; 2.70 A increased from 2.40 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 41 + H ASN 40 OK 100 100 100 100 2.5-2.6 175=100, 3489/3.0=31...(10) H LEU 37 - H ASN 40 far 0 97 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 891 from nnoeabs.peaks (7.90, 8.06, 116.05 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + H LEU 41 OK 100 100 100 100 2.3-2.5 181=100, 183/666=37...(8) Violated in 0 structures by 0.00 A. Peak 892 from nnoeabs.peaks (8.33, 7.90, 117.73 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LYS 42 OK 100 100 100 100 2.6-2.8 188=98, 189/672=56...(9) Violated in 0 structures by 0.00 A. Peak 893 from nnoeabs.peaks (8.84, 8.33, 119.56 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + H LEU 43 OK 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 895 from nnoeabs.peaks (8.14, 9.24, 121.30 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H THR 46 + H GLU 45 OK 100 100 100 100 2.7-2.8 209=100, 4799/207=72...(7) H ALA 35 - H GLU 45 far 0 98 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 896 from nnoeabs.peaks (8.05, 8.14, 115.25 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + H THR 46 OK 100 100 100 100 2.5-2.8 215=99, 217/700=52...(6) H LEU 37 - H THR 46 far 0 92 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 897 from nnoeabs.peaks (7.68, 8.05, 120.26 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 48 + H GLN 47 OK 99 100 100 99 2.6-3.0 219=75, 221/704=41...(12) HE22 GLN 47 - H GLN 47 far 0 90 0 - 5.1-6.0 H LYS 39 - H GLN 47 far 0 98 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 898 from nnoeabs.peaks (8.54, 7.68, 118.72 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H VAL 48 OK 100 100 100 100 2.6-2.9 227=98, 229/712=55...(8) Violated in 0 structures by 0.00 A. Peak 899 from nnoeabs.peaks (8.69, 8.54, 121.11 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + H LYS 49 OK 100 100 100 100 2.6-3.0 232=100, 234/717=56...(10) Violated in 0 structures by 0.00 A. Peak 900 from nnoeabs.peaks (8.27, 8.69, 119.98 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + H ILE 50 OK 100 100 100 100 2.5-2.9 242=100, 244/727=59...(10) H ASN 54 - H ILE 50 far 0 60 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 901 from nnoeabs.peaks (8.94, 8.27, 121.67 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + H TRP 51 OK 100 100 100 100 2.9-3.0 249=100, 4.3/735=45...(8) Violated in 0 structures by 0.00 A. Peak 902 from nnoeabs.peaks (8.03, 8.94, 119.28 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 53 + H PHE 52 OK 100 100 100 100 2.7-2.9 259=100, 262/2605=43...(9) H GLN 47 - H PHE 52 far 0 87 0 - 8.3-8.8 H LYS 22 - H PHE 52 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 903 from nnoeabs.peaks (8.29, 8.03, 118.15 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + H GLN 53 OK 100 100 100 100 2.5-3.0 265=97, 267/2631=42...(9) H TRP 51 - H GLN 53 far 0 60 0 - 3.8-4.3 Violated in 0 structures by 0.00 A. Peak 904 from nnoeabs.peaks (8.07, 8.29, 117.45 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.97: * H ARG 55 + H ASN 54 OK 97 100 100 97 2.6-3.0 273=85, 276/759=41...(6) Violated in 0 structures by 0.00 A. Peak 905 from nnoeabs.peaks (7.75, 8.07, 122.80 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 56 + H ARG 55 OK 100 100 100 100 2.7-3.0 279=100, 281/764=38...(6) H THR 59 - H ARG 55 far 0 78 0 - 5.9-6.7 QD PHE 52 - H ARG 55 far 0 100 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 906 from nnoeabs.peaks (7.56, 7.75, 117.78 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + H ARG 56 OK 100 100 100 100 2.4-2.7 287=100, 290/773=50...(5) Violated in 0 structures by 0.00 A. Peak 907 from nnoeabs.peaks (7.68, 7.56, 119.05 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 58 + H TYR 57 OK 99 100 100 99 2.3-2.7 295=92, 297/780=42...(7) Violated in 0 structures by 0.00 A. Peak 908 from nnoeabs.peaks (7.72, 7.68, 119.80 ppm; 2.95 A): 1 out of 3 assignments used, quality = 0.88: * H THR 59 + H LYS 58 OK 88 100 100 88 2.3-2.5 301=49, 302/3.0=30...(9) H ARG 56 - H LYS 58 far 0 78 0 - 3.9-4.2 QD PHE 52 - H LYS 58 far 0 78 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 909 from nnoeabs.peaks (7.98, 7.72, 113.00 ppm; 4.88 A increased from 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + H THR 59 OK 100 100 100 100 2.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 910 from nnoeabs.peaks (8.17, 7.98, 123.03 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 61 + H LYS 60 OK 100 100 100 100 2.2-4.6 4.6=100 H LEU 68 - H LYS 60 far 3 57 5 - 4.3-21.2 Violated in 0 structures by 0.00 A. Peak 912 from nnoeabs.peaks (8.38, 8.30, 122.70 ppm; 6.00 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 63 + H LYS 62 OK 100 100 100 100 2.1-4.6 4.6=100 H LEU 64 - H LYS 62 poor 20 98 20 - 4.2-8.0 H SER 65 - H LYS 62 lone 1 81 25 4 4.8-9.6 H GLU 67 - H LYS 62 far 0 73 0 - 6.9-16.2 Violated in 0 structures by 0.00 A. Peak 913 from nnoeabs.peaks (8.38, 8.38, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: H GLN 63 + H GLN 63 OK 98 98 - 100 Reference assignment not found: H LEU 64 - H GLN 63 Peak 914 from nnoeabs.peaks (8.35, 8.38, 123.55 ppm; 3.08 A increased from 2.73 A): 1 out of 2 assignments used, quality = 0.84: * H SER 65 + H LEU 64 OK 84 100 95 88 2.1-3.2 351=72, 4.4/836=27...(7) H GLN 63 - H LEU 64 poor 12 81 25 60 1.9-4.6 4.6=29, 3.0/3625=18...(6) Violated in 2 structures by 0.01 A. Peak 917 from nnoeabs.peaks (8.14, 8.40, 122.42 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 68 + H GLU 67 OK 100 100 100 100 2.1-4.2 366=100, 367/3.0=79...(4) H ARG 61 - H GLU 67 far 0 57 0 - 6.6-17.9 Violated in 0 structures by 0.00 A. Peak 918 from nnoeabs.peaks (7.90, 8.14, 122.19 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 69 + H LEU 68 OK 100 100 100 100 2.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 920 from nnoeabs.peaks (7.51, 999.00, 999.00 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 923 from nnoeabs.peaks (7.83, 7.92, 111.33 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H THR 14 OK 100 100 100 100 4.0-4.6 929=100, 19/866=74...(6) Violated in 0 structures by 0.00 A. Peak 924 from nnoeabs.peaks (4.38, 7.51, 120.36 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 12 + H GLN 15 OK 98 100 100 98 1.9-3.8 4741/866=66, 1.8/4803=58...(7) * HA HIS 13 + H GLN 15 OK 89 100 90 99 4.0-5.0 3.6/866=77, 3661/19=67...(5) Violated in 0 structures by 0.00 A. Peak 927 from nnoeabs.peaks (8.01, 7.51, 120.36 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + H GLN 15 OK 100 100 100 100 3.9-4.2 934=100, 868/19=86...(7) H LEU 19 - H GLN 15 far 0 68 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 928 from nnoeabs.peaks (3.81, 7.83, 117.36 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.85: HA GLN 15 + H VAL 16 OK 85 85 100 100 3.5-3.6 3.6=100 ! HA THR 14 - H VAL 16 poor 20 100 20 98 4.1-4.6 3.6/19=64, 935/868=63...(6) Violated in 0 structures by 0.00 A. Peak 929 from nnoeabs.peaks (7.92, 7.83, 117.36 ppm; 4.58 A increased from 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + H VAL 16 OK 100 100 100 100 4.0-4.6 923=100, 866/19=74...(6) Violated in 0 structures by 0.00 A. Peak 930 from nnoeabs.peaks (4.38, 7.83, 117.36 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 13 + H VAL 16 OK 100 100 100 100 3.6-4.3 3661=92, 4744/517=73...(7) HB2 SER 12 + H VAL 16 OK 27 100 35 76 3.5-5.6 4741/923=43, 924/19=25...(5) Violated in 0 structures by 0.00 A. Peak 932 from nnoeabs.peaks (7.55, 7.83, 117.36 ppm; 4.62 A increased from 4.35 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 18 + H VAL 16 OK 98 100 100 98 4.3-4.6 869/868=79, 3671/3.6=62...(6) QE PHE 52 - H VAL 16 far 0 76 0 - 9.7-10.7 Violated in 1 structures by 0.00 A. Peak 933 from nnoeabs.peaks (3.79, 8.01, 118.34 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.84: HA THR 14 + H ILE 17 OK 84 85 100 99 3.2-3.6 3666=53, 3668/521=52...(9) ! HA GLN 15 - H ILE 17 far 0 100 0 - 3.9-4.6 HA ARG 34 - H HIS 36 far 0 56 0 - 4.6-4.9 HD3 PRO 32 - H HIS 36 far 0 55 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 934 from nnoeabs.peaks (7.51, 8.01, 118.34 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 15 + H ILE 17 OK 99 100 100 99 3.9-4.2 19/868=69, 3.6/935=63...(7) QE PHE 52 - H HIS 36 far 0 38 0 - 8.9-9.9 QE PHE 52 - H ILE 17 far 0 78 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 935 from nnoeabs.peaks (3.81, 8.01, 118.34 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.99: * HA THR 14 + H ILE 17 OK 99 100 100 99 3.2-3.6 3666=68, 3668/521=60...(9) HA GLN 15 - H ILE 17 far 0 85 0 - 3.9-4.6 HA ARG 34 - H HIS 36 far 0 36 0 - 4.6-4.9 HD3 PRO 32 - H HIS 36 far 0 49 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 936 from nnoeabs.peaks (4.38, 8.01, 118.34 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.48: HA PRO 32 + H HIS 36 OK 48 55 100 88 3.7-4.1 3729/3.7=68, 980/885=47 ! HA HIS 13 - H ILE 17 far 0 100 0 - 4.6-5.1 HB2 SER 12 - H ILE 17 far 0 100 0 - 5.6-7.5 HA ASN 40 - H HIS 36 far 0 56 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 938 from nnoeabs.peaks (3.23, 7.55, 119.23 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 16 + H GLU 18 OK 100 100 100 100 4.3-4.6 3.6/869=85, 4042=81...(6) HD3 ARG 21 - H GLU 18 poor 20 98 20 - 4.6-6.6 HD2 ARG 21 - H GLU 18 far 7 71 10 - 4.9-6.9 HB2 HIS 13 - H GLU 18 far 0 95 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 940 from nnoeabs.peaks (3.79, 7.55, 119.23 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 15 + H GLU 18 OK 100 100 100 100 3.4-3.9 3671=100, 3674/529=68...(10) HA THR 14 - H GLU 18 far 13 85 15 - 4.4-5.0 HA ILE 50 - H TYR 57 far 0 56 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 941 from nnoeabs.peaks (3.81, 7.55, 119.23 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.85: HA GLN 15 + H GLU 18 OK 85 85 100 100 3.4-3.9 3671=77, 3674/529=53...(10) ! HA THR 14 - H GLU 18 far 15 100 15 - 4.4-5.0 Violated in 0 structures by 0.00 A. Peak 942 from nnoeabs.peaks (8.41, 7.55, 119.23 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + H GLU 18 OK 100 100 100 100 4.0-4.4 949=100, 45/39=85...(7) H LEU 64 - H TYR 57 far 0 47 0 - 7.1-18.3 H GLU 67 - H TYR 57 far 0 71 0 - 8.3-25.3 Violated in 0 structures by 0.00 A. Peak 943 from nnoeabs.peaks (3.69, 7.98, 124.25 ppm; 4.37 A increased from 4.11 A): 1 out of 1 assignment used, quality = 0.98: * HA ILE 17 + H LEU 19 OK 98 100 100 98 4.0-4.4 3.6/39=69, 950/45=62...(6) Violated in 2 structures by 0.00 A. Peak 945 from nnoeabs.peaks (3.23, 7.98, 124.25 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.99: * HA VAL 16 + H LEU 19 OK 99 100 100 99 3.3-3.7 4769/538=49, 3678=48...(9) HD3 ARG 21 - H LEU 19 far 0 98 0 - 5.1-7.6 HD2 ARG 21 - H LEU 19 far 0 71 0 - 5.6-7.7 HB2 HIS 10 - H LEU 19 far 0 73 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 946 from nnoeabs.peaks (3.79, 7.98, 124.25 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + H LEU 19 OK 100 100 100 100 4.7-5.1 3671/39=73, 3674/4.3=69...(7) HA THR 14 - H LEU 19 far 0 85 0 - 6.8-7.2 Violated in 4 structures by 0.01 A. Peak 947 from nnoeabs.peaks (8.31, 7.98, 124.25 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 21 + H LEU 19 OK 100 100 100 100 4.1-4.4 52/45=82, 954=78...(7) H LEU 43 - H LEU 19 far 0 89 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 948 from nnoeabs.peaks (4.19, 8.41, 118.68 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.65: HA GLU 20 + H GLU 20 OK 65 65 100 100 2.8-2.8 3.0=100 ! HA GLU 18 - H GLU 20 far 0 100 0 - 4.2-4.8 Violated in 0 structures by 0.00 A. Peak 949 from nnoeabs.peaks (7.55, 8.41, 118.68 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + H GLU 20 OK 100 100 100 100 4.0-4.4 942=99, 39/45=85...(7) QE PHE 52 - H GLU 20 far 0 76 0 - 6.1-7.2 Violated in 0 structures by 0.00 A. Peak 950 from nnoeabs.peaks (3.69, 8.41, 118.68 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H GLU 20 OK 100 100 100 100 3.1-3.5 3685=77, 3689/542=58...(10) Violated in 0 structures by 0.00 A. Peak 951 from nnoeabs.peaks (3.23, 8.41, 118.68 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 16 + H GLU 20 OK 100 100 100 100 4.1-4.6 3683=75, 945/45=68...(10) HD3 ARG 21 - H GLU 20 far 5 98 5 - 4.3-7.2 HD2 ARG 21 - H GLU 20 far 0 71 0 - 4.8-7.1 HB2 HIS 10 - H GLU 20 far 0 73 0 - 9.7-15.8 Violated in 1 structures by 0.00 A. Peak 952 from nnoeabs.peaks (8.03, 8.41, 118.68 ppm; 4.63 A increased from 3.90 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 22 + H GLU 20 OK 100 100 100 100 4.0-4.6 959=98, 873/52=80...(5) H ILE 17 + H GLU 20 OK 40 83 50 97 4.6-4.8 3.0/950=75, 3.6/951=58...(4) Violated in 0 structures by 0.00 A. Peak 953 from nnoeabs.peaks (3.64, 8.31, 121.06 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + H ARG 21 OK 100 100 100 100 4.3-4.5 3.6/52=87, 3699/873=81...(4) Violated in 0 structures by 0.00 A. Peak 954 from nnoeabs.peaks (7.98, 8.31, 121.06 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + H ARG 21 OK 100 100 100 100 4.1-4.4 947=100, 45/52=89...(7) H ILE 17 - H ARG 21 far 0 68 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 955 from nnoeabs.peaks (4.19, 8.31, 121.06 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.65: HA GLU 20 + H ARG 21 OK 65 65 100 100 3.5-3.6 3.6=100 ! HA GLU 18 - H ARG 21 far 10 100 10 - 3.5-3.9 Violated in 0 structures by 0.00 A. Peak 956 from nnoeabs.peaks (3.69, 8.31, 121.06 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H ARG 21 OK 100 100 100 100 4.0-4.4 3689/55=66, 950/52=64...(9) Violated in 1 structures by 0.00 A. Peak 958 from nnoeabs.peaks (4.22, 8.03, 120.92 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.95: * HA GLU 20 + H LYS 22 OK 95 100 95 100 3.9-4.7 3.6/873=75, 3705=68...(6) HA GLU 18 - H LYS 22 far 0 65 0 - 4.7-5.1 Violated in 4 structures by 0.02 A. Peak 959 from nnoeabs.peaks (8.41, 8.03, 120.92 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + H LYS 22 OK 100 100 100 100 4.0-4.6 52/873=80, 952=71...(5) H ALA 38 - H LYS 22 far 0 65 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 960 from nnoeabs.peaks (3.64, 8.03, 120.92 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 19 + H LYS 22 OK 100 100 100 100 3.5-3.7 3699=100, 3702/556=53...(9) HA VAL 48 - H LYS 22 far 0 97 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 961 from nnoeabs.peaks (4.19, 8.03, 120.92 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.51: HA GLU 20 + H LYS 22 OK 51 65 80 97 3.9-4.7 955/873=71, 3.0/959=58...(6) ! HA GLU 18 - H LYS 22 far 0 100 0 - 4.7-5.1 Violated in 4 structures by 0.05 A. Peak 962 from nnoeabs.peaks (8.13, 8.03, 120.92 ppm; 4.41 A increased from 3.92 A): 1 out of 2 assignments used, quality = 0.94: * H SER 24 + H LYS 22 OK 94 100 100 94 4.0-4.2 76/874=62, 3713/3.6=57...(4) H LYS 27 - H LYS 22 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 965 from nnoeabs.peaks (4.22, 8.99, 121.58 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + H PHE 23 OK 100 100 100 100 3.0-3.6 3706=100, 3707/565=70...(7) HA GLU 18 - H PHE 23 far 0 65 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 967 from nnoeabs.peaks (4.35, 8.13, 111.74 ppm; 5.89 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + H SER 24 OK 100 100 100 100 4.1-4.7 2.9/962=93, 3.6/76=92 Violated in 0 structures by 0.00 A. Peak 969 from nnoeabs.peaks (4.07, 8.13, 111.74 ppm; 3.41 A): 1 out of 3 assignments used, quality = 0.99: HA SER 24 + H SER 24 OK 99 99 100 100 2.8-2.8 3.0=100 ! HA ARG 21 - H SER 24 far 0 100 0 - 3.6-4.1 HA ARG 56 - H SER 24 far 0 98 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 970 from nnoeabs.peaks (4.22, 8.13, 111.74 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + H SER 24 OK 100 100 100 100 3.6-4.4 3707/78=76, 3709/79=67...(5) HA GLU 18 - H SER 24 far 0 65 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 972 from nnoeabs.peaks (4.21, 7.21, 117.78 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H GLU 33 OK 100 100 100 100 4.3-4.7 976/133=83, 3.8/131=76...(5) HB3 SER 30 + H GLU 33 OK 94 95 100 99 2.2-3.8 4.0/4300=69, 4787/619=68...(6) Violated in 0 structures by 0.00 A. Peak 974 from nnoeabs.peaks (8.15, 7.21, 117.78 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + H GLU 33 OK 100 100 100 100 3.8-4.3 979=100, 139/133=88...(6) Violated in 0 structures by 0.00 A. Peak 976 from nnoeabs.peaks (4.21, 8.73, 121.67 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H ARG 34 OK 100 100 100 100 3.9-4.2 3720=80, 3722/624=69...(7) HB3 SER 30 - H ARG 34 poor 19 95 20 - 3.8-5.3 Violated in 1 structures by 0.00 A. Peak 977 from nnoeabs.peaks (7.99, 8.73, 121.67 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + H ARG 34 OK 100 100 100 100 4.2-4.4 984=100, 147/139=85...(5) H ASN 40 - H ARG 34 far 0 63 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 978 from nnoeabs.peaks (4.07, 8.15, 120.97 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 33 + H ALA 35 OK 100 100 100 100 4.2-4.7 3731=100, 3.6/139=90...(6) HA LEU 37 - H ALA 35 far 0 96 0 - 6.6-6.8 HA LYS 39 - H ALA 35 far 0 97 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 979 from nnoeabs.peaks (7.21, 8.15, 120.97 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + H ALA 35 OK 100 100 100 100 3.8-4.3 974=85, 133/139=83...(6) Violated in 0 structures by 0.00 A. Peak 980 from nnoeabs.peaks (4.38, 8.15, 120.97 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + H ALA 35 OK 100 100 100 100 3.4-3.8 3727=75, 3729/632=75...(9) Violated in 1 structures by 0.00 A. Peak 981 from nnoeabs.peaks (4.21, 8.15, 120.97 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H ALA 35 OK 100 100 100 100 4.4-4.7 3725=99, 3722/141=77...(7) HB3 SER 30 - H ALA 35 far 0 95 0 - 5.9-7.4 Violated in 0 structures by 0.00 A. Peak 983 from nnoeabs.peaks (3.79, 7.99, 118.30 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.69: HA GLN 15 + H ILE 17 OK 51 56 100 91 3.9-4.6 3.6/868=56, 3671/4.6=48...(5) HA THR 14 + H ILE 17 OK 36 36 100 99 3.2-3.6 4075/4.0=54, 3668/4.0=51...(10) ! HA ARG 34 - H HIS 36 far 10 100 10 - 4.6-4.9 HD3 PRO 32 - H HIS 36 far 0 97 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 984 from nnoeabs.peaks (8.73, 7.99, 118.30 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H HIS 36 OK 100 100 100 100 4.2-4.4 977=86, 139/147=80...(5) Violated in 0 structures by 0.00 A. Peak 985 from nnoeabs.peaks (4.07, 7.99, 118.30 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.96: * HA GLU 33 + H HIS 36 OK 96 100 100 96 3.6-3.8 3732=67, 3735/636=51...(5) HA LEU 37 - H HIS 36 far 0 96 0 - 5.1-5.3 HB THR 14 - H ILE 17 far 0 30 0 - 5.3-5.6 HA LYS 39 - H HIS 36 far 0 97 0 - 7.5-7.7 HA ARG 21 - H ILE 17 far 0 57 0 - 8.6-9.0 Violated in 1 structures by 0.00 A. Peak 986 from nnoeabs.peaks (4.38, 7.99, 118.30 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.98: * HA PRO 32 + H HIS 36 OK 98 100 100 98 3.7-4.1 3729/149=88, 980/147=75 HA HIS 13 - H ILE 17 poor 14 55 25 - 4.6-5.1 HB2 SER 12 - H ILE 17 far 0 54 0 - 5.6-7.5 HA ASN 40 - H HIS 36 far 0 98 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 987 from nnoeabs.peaks (8.44, 7.99, 118.30 ppm; 4.76 A increased from 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 38 + H HIS 36 OK 100 100 100 100 4.3-4.6 887/886=92, 995/3.6=70...(6) H GLU 20 + H ILE 17 OK 26 30 100 85 4.6-4.8 3685/3.0=47, 3683/3.6=36...(6) Violated in 0 structures by 0.00 A. Peak 988 from nnoeabs.peaks (3.98, 8.07, 120.69 ppm; 5.31 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 35 + H LEU 37 OK 100 100 100 100 3.9-4.1 3745=99, 3.6/886=95...(6) HB2 SER 30 - H LEU 37 far 0 60 0 - 7.7-9.6 HA LYS 42 - H LEU 37 far 0 100 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 989 from nnoeabs.peaks (8.15, 8.07, 120.69 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.94: * H ALA 35 + H LEU 37 OK 94 100 100 94 3.7-3.9 147/886=70, 3.6/990=48...(4) H THR 46 - H LEU 37 far 0 98 0 - 9.9-10.7 Violated in 3 structures by 0.01 A. Peak 990 from nnoeabs.peaks (3.79, 8.07, 120.69 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + H LEU 37 OK 100 100 100 100 3.5-3.7 3739=76, 3740/640=63...(9) HD3 PRO 32 - H LEU 37 far 0 97 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 991 from nnoeabs.peaks (4.07, 8.07, 120.69 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.96: HA LEU 37 + H LEU 37 OK 96 96 100 100 2.9-2.9 3.0=100 ! HA GLU 33 - H LEU 37 far 0 100 0 - 4.1-4.5 HA LYS 39 - H LEU 37 far 0 97 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 992 from nnoeabs.peaks (7.67, 8.07, 120.69 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + H LEU 37 OK 100 100 100 100 3.9-4.1 888/887=86, 1000/3.6=68...(7) H VAL 48 - H LEU 37 far 0 98 0 - 8.4-9.1 HE22 GLN 26 - H LEU 37 far 0 60 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 993 from nnoeabs.peaks (4.32, 8.44, 119.33 ppm; 5.00 A increased from 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 36 + H ALA 38 OK 100 100 100 100 4.5-4.9 3.6/887=87, 1000/888=81...(7) HA LEU 41 - H ALA 38 far 0 76 0 - 7.6-7.8 HA LYS 49 - H ALA 38 far 0 97 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 994 from nnoeabs.peaks (7.99, 8.44, 119.33 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * H HIS 36 + H ALA 38 OK 100 100 100 100 4.3-4.6 886/887=88, 987=70...(6) H ASN 40 + H ALA 38 OK 62 63 100 98 3.9-4.1 4.7/888=60, 1004=49...(8) H LEU 19 - H ALA 38 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 995 from nnoeabs.peaks (3.98, 8.44, 119.33 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 35 + H ALA 38 OK 100 100 100 100 3.4-3.7 3746=86, 3747/647=76...(7) HA LYS 42 - H ALA 38 far 0 100 0 - 7.9-8.1 HB2 SER 30 - H ALA 38 far 0 60 0 - 9.4-11.2 HA GLN 47 - H ALA 38 far 0 76 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 996 from nnoeabs.peaks (3.79, 8.44, 119.33 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + H ALA 38 OK 100 100 100 100 3.7-4.2 3744=73, 990/887=66...(7) Violated in 0 structures by 0.00 A. Peak 997 from nnoeabs.peaks (8.02, 8.44, 119.33 ppm; 4.10 A increased from 3.64 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + H ALA 38 OK 100 100 100 100 3.9-4.1 889/888=74, 1004=72...(8) H HIS 36 - H ALA 38 far 0 63 0 - 4.3-4.6 H LYS 22 - H ALA 38 far 0 96 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 998 from nnoeabs.peaks (4.06, 7.67, 116.42 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.76: HA LYS 39 + H LYS 39 OK 76 76 100 100 2.8-2.8 3.0=100 ! HA LEU 37 - H LYS 39 far 0 100 0 - 4.5-4.7 HA GLU 33 - H LYS 39 far 0 95 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 999 from nnoeabs.peaks (8.07, 7.67, 116.42 ppm; 4.22 A increased from 3.38 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 37 + H LYS 39 OK 100 100 100 100 3.9-4.1 887/888=77, 992=74...(7) H LEU 41 + H LYS 39 OK 97 97 100 99 4.1-4.2 175/165=81, 3737/3.0=65...(7) H GLN 47 - H LYS 39 far 0 92 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 1000 from nnoeabs.peaks (4.32, 7.67, 116.42 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 36 + H LYS 39 OK 100 100 100 100 3.7-4.0 3751=80, 3755/651=65...(11) HA LEU 41 - H LYS 39 far 0 76 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 1001 from nnoeabs.peaks (3.98, 7.67, 116.42 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.99: * HA ALA 35 + H LYS 39 OK 99 100 100 99 3.9-4.3 3747/164=82, 3749=75...(5) HA LYS 42 - H LYS 39 far 0 100 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 1002 from nnoeabs.peaks (8.06, 7.67, 116.42 ppm; 4.22 A increased from 3.38 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 41 + H LYS 39 OK 100 100 100 100 4.1-4.2 175/165=85, 3770/3.0=65...(7) H LEU 37 + H LYS 39 OK 97 97 100 99 3.9-4.1 887/888=73, 992=71...(7) H GLN 47 - H LYS 39 far 0 100 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 1003 from nnoeabs.peaks (3.61, 8.02, 117.69 ppm; 5.06 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H ASN 40 OK 100 100 100 100 4.0-4.2 3764=100, 3.6/889=89...(5) HA GLU 45 - H ASN 40 far 0 60 0 - 8.1-8.6 HA LEU 19 - H ASN 40 far 0 65 0 - 9.1-9.8 HA VAL 48 - H ASN 40 far 0 90 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 1004 from nnoeabs.peaks (8.44, 8.02, 117.69 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H ASN 40 OK 100 100 100 100 3.9-4.1 997=100, 888/889=85...(8) Violated in 0 structures by 0.00 A. Peak 1005 from nnoeabs.peaks (4.06, 8.02, 117.69 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 37 + H ASN 40 OK 99 100 100 99 3.4-3.5 3758=85, 3759/660=53...(10) HA LYS 39 + H ASN 40 OK 76 76 100 100 3.5-3.5 3.6=93, 3.0/889=60...(11) HA GLU 33 - H ASN 40 far 0 95 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 1006 from nnoeabs.peaks (4.32, 8.02, 117.69 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.99: * HA HIS 36 + H ASN 40 OK 99 100 100 99 4.4-4.5 1000/889=74, 3755/4.1=62...(7) HA LEU 41 - H ASN 40 far 0 76 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 1007 from nnoeabs.peaks (4.08, 8.06, 116.05 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 39 + H LEU 41 OK 100 100 100 100 3.8-4.0 3770=100, 3.6/175=87...(5) HA LEU 37 - H LEU 41 far 4 78 5 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 1008 from nnoeabs.peaks (7.67, 8.06, 116.05 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + H LEU 41 OK 100 100 100 100 4.1-4.2 889/175=97, 3.0/3770=83...(7) H VAL 48 - H LEU 41 far 0 98 0 - 8.0-8.5 HE22 GLN 47 - H LEU 41 far 0 99 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 1009 from nnoeabs.peaks (3.61, 8.06, 116.05 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H LEU 41 OK 100 100 100 100 3.4-3.5 3765=100, 3766/666=73...(8) HA VAL 48 - H LEU 41 far 0 90 0 - 8.0-8.7 HA LEU 19 - H LEU 41 far 0 65 0 - 8.2-8.8 HA GLU 45 - H LEU 41 far 0 60 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 1010 from nnoeabs.peaks (4.06, 8.06, 116.05 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 37 + H LEU 41 OK 100 100 100 100 4.7-4.9 3758/175=89...(8) HA LYS 39 + H LEU 41 OK 76 76 100 100 3.8-4.0 3.6/175=90, 3737=88...(5) Violated in 0 structures by 0.00 A. Peak 1012 from nnoeabs.peaks (7.68, 8.14, 115.25 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 48 + H THR 46 OK 99 100 100 99 4.1-4.6 897/896=89, 3772/3.6=76 HE22 GLN 47 - H THR 46 far 0 90 0 - 7.6-8.2 H LYS 39 - H THR 46 far 0 98 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 1013 from nnoeabs.peaks (3.64, 8.05, 120.26 ppm; 4.90 A increased from 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + H GLN 47 OK 100 100 100 100 4.2-4.6 3.6/896=81, 3772/897=73...(6) HA VAL 48 - H GLN 47 far 0 95 0 - 5.2-5.5 HA ALA 38 - H GLN 47 far 0 60 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 1014 from nnoeabs.peaks (9.24, 8.05, 120.26 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.97: * H GLU 45 + H GLN 47 OK 97 100 100 97 4.3-4.5 209/896=79, 3.0/1013=68 Violated in 0 structures by 0.00 A. Peak 1015 from nnoeabs.peaks (8.54, 8.05, 120.26 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H GLN 47 OK 100 100 100 100 3.9-4.3 1021=84, 898/897=77...(7) Violated in 0 structures by 0.00 A. Peak 1016 from nnoeabs.peaks (3.90, 7.68, 118.72 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H VAL 48 OK 100 100 100 100 4.5-5.1 3.6/897=93, 1022/898=87 Violated in 0 structures by 0.00 A. Peak 1018 from nnoeabs.peaks (3.64, 7.68, 118.72 ppm; 3.62 A): 1 out of 4 assignments used, quality = 0.95: HA VAL 48 + H VAL 48 OK 95 95 100 100 2.8-2.8 3.0=100 ! HA GLU 45 - H VAL 48 poor 19 100 20 97 3.5-4.0 3772=62, 3773/712=50...(7) HA ALA 38 - H VAL 48 far 0 60 0 - 4.9-5.4 HA LEU 19 - H VAL 48 far 0 100 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 1020 from nnoeabs.peaks (3.96, 8.54, 121.11 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + H LYS 49 OK 100 100 100 100 4.1-4.6 3.6/898=82, 3.0/1015=74...(5) HA ALA 35 - H LYS 49 far 0 76 0 - 7.4-8.5 HA GLN 53 - H LYS 49 far 0 81 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 1021 from nnoeabs.peaks (8.05, 8.54, 121.11 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + H LYS 49 OK 100 100 100 100 3.9-4.3 1015=100, 897/898=83...(7) H GLN 53 - H LYS 49 far 0 87 0 - 6.0-6.7 H LEU 37 - H LYS 49 far 0 92 0 - 9.1-9.9 H ARG 55 - H LYS 49 far 0 76 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 1022 from nnoeabs.peaks (3.90, 8.54, 121.11 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H LYS 49 OK 100 100 100 100 3.5-3.9 3777=96, 3778/717=65...(11) Violated in 0 structures by 0.00 A. Peak 1023 from nnoeabs.peaks (3.64, 8.54, 121.11 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.99: HA VAL 48 + H LYS 49 OK 95 95 100 100 3.5-3.6 3.6=100 * HA GLU 45 + H LYS 49 OK 83 100 85 97 3.7-4.8 3773/229=64, 3772/898=52...(6) HA ALA 38 - H LYS 49 far 0 60 0 - 6.8-7.3 HA LEU 19 - H LYS 49 far 0 100 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 1024 from nnoeabs.peaks (8.27, 8.54, 121.11 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + H LYS 49 OK 100 100 100 100 3.9-4.5 1031=100, 242/232=79...(7) H ASN 54 - H LYS 49 far 0 60 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 1027 from nnoeabs.peaks (3.96, 8.69, 119.98 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + H ILE 50 OK 100 100 100 100 3.4-3.8 3784=98, 3785/727=77...(6) HA GLN 53 - H ILE 50 far 0 81 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 1028 from nnoeabs.peaks (3.90, 8.69, 119.98 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H ILE 50 OK 100 100 100 100 3.9-4.7 3782=100, 3778/234=82...(7) Violated in 0 structures by 0.00 A. Peak 1031 from nnoeabs.peaks (8.54, 8.27, 121.67 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H TRP 51 OK 100 100 100 100 3.9-4.5 1024=86, 232/242=73...(7) Violated in 0 structures by 0.00 A. Peak 1032 from nnoeabs.peaks (3.63, 8.27, 121.67 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.98: * HA VAL 48 + H TRP 51 OK 98 100 100 98 3.2-3.7 3789=68, 3793/735=52...(6) HA GLU 45 - H TRP 51 far 0 95 0 - 7.5-8.8 HA LEU 19 - H TRP 51 far 0 97 0 - 8.7-9.5 HA ALA 38 - H TRP 51 far 0 90 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 1033 from nnoeabs.peaks (3.96, 8.27, 121.67 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + H TRP 51 OK 100 100 100 100 4.3-4.7 3787=100, 3785/244=79...(6) HA GLN 53 - H TRP 51 far 0 81 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 1034 from nnoeabs.peaks (8.03, 8.27, 121.67 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 53 + H TRP 51 OK 99 100 100 99 3.8-4.3 259/249=84, 3803/3.6=80...(4) H GLN 47 - H TRP 51 far 0 87 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 1035 from nnoeabs.peaks (3.77, 8.94, 119.28 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.89: HA PHE 52 + H PHE 52 OK 89 89 100 100 2.7-2.8 2.9=100 ! HA ILE 50 - H PHE 52 far 0 100 0 - 4.7-5.0 HA ARG 34 - H PHE 52 far 0 90 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 1036 from nnoeabs.peaks (8.69, 8.94, 119.28 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 50 + H PHE 52 OK 98 100 100 98 4.5-4.8 242/249=82, 3.6/1037=67 Violated in 0 structures by 0.00 A. Peak 1037 from nnoeabs.peaks (4.33, 8.94, 119.28 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 49 + H PHE 52 OK 99 100 100 99 3.7-4.0 3796=72, 1043/259=56...(6) HA ASN 54 - H PHE 52 far 0 65 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 1038 from nnoeabs.peaks (3.63, 8.94, 119.28 ppm; 4.57 A increased from 4.30 A): 1 out of 4 assignments used, quality = 0.94: * HA VAL 48 + H PHE 52 OK 94 100 95 99 4.0-4.7 1032/249=66...(5) HA LEU 19 - H PHE 52 far 0 97 0 - 7.4-8.2 HA GLU 45 - H PHE 52 far 0 95 0 - 8.4-9.3 HA ALA 38 - H PHE 52 far 0 90 0 - 8.9-9.6 Violated in 2 structures by 0.01 A. Peak 1039 from nnoeabs.peaks (8.29, 8.94, 119.28 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.58: H TRP 51 + H PHE 52 OK 58 60 100 96 2.9-3.0 4.6=64, 3.6/3802=37...(8) ! H ASN 54 - H PHE 52 far 0 100 0 - 4.4-4.8 Violated in 0 structures by 0.00 A. Peak 1040 from nnoeabs.peaks (4.02, 8.03, 118.15 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H GLN 53 OK 100 100 100 100 4.0-4.8 3.6/259=90, 1047/903=83...(4) Violated in 0 structures by 0.00 A. Peak 1041 from nnoeabs.peaks (8.27, 8.03, 118.15 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.54: H ASN 54 + H GLN 53 OK 54 60 100 90 2.5-3.0 265=46, 4.4/751=38...(9) ! H TRP 51 - H GLN 53 far 0 100 0 - 3.8-4.3 Violated in 0 structures by 0.00 A. Peak 1042 from nnoeabs.peaks (3.77, 8.03, 118.15 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.99: * HA ILE 50 + H GLN 53 OK 94 100 95 99 3.4-3.8 3803=68, 3806/751=52...(10) HA PHE 52 + H GLN 53 OK 89 89 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1043 from nnoeabs.peaks (4.33, 8.03, 118.15 ppm; 4.74 A increased from 4.22 A): 1 out of 2 assignments used, quality = 0.86: * HA LYS 49 + H GLN 53 OK 86 100 95 90 4.0-4.8 1037/259=60, 3800/262=54 HA ASN 54 - H GLN 53 far 0 65 0 - 5.2-5.5 Violated in 2 structures by 0.01 A. Peak 1045 from nnoeabs.peaks (3.76, 8.29, 117.45 ppm; 4.33 A): 1 out of 6 assignments used, quality = 0.88: HA ILE 50 + H ASN 54 OK 88 89 100 99 3.5-4.3 3804/267=60, 3.2/4657=59...(10) ! HA PHE 52 - H ASN 54 far 0 100 0 - 4.6-5.2 HA3 GLY 69 - H SER 66 far 0 47 0 - 7.1-12.3 HA2 GLY 69 - H SER 66 far 0 46 0 - 7.5-12.2 HA2 GLY 69 - H ASN 54 far 0 97 0 - 9.4-30.0 HA3 GLY 69 - H ASN 54 far 0 97 0 - 10.0-28.5 Violated in 1 structures by 0.00 A. Peak 1046 from nnoeabs.peaks (8.94, 8.29, 117.45 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 52 + H ASN 54 OK 99 100 100 99 4.4-4.8 259/903=90, 3.6/1047=75 Violated in 0 structures by 0.00 A. Peak 1047 from nnoeabs.peaks (4.02, 8.29, 117.45 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H ASN 54 OK 100 100 100 100 3.3-4.0 3813/759=65, 3810=62...(8) Violated in 0 structures by 0.00 A. Peak 1048 from nnoeabs.peaks (3.77, 8.29, 117.45 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 50 + H ASN 54 OK 100 100 100 100 3.5-4.3 3804/267=73, 3803/903=62...(10) HA PHE 52 - H ASN 54 far 0 89 0 - 4.6-5.2 HA3 GLY 69 - H SER 66 far 0 27 0 - 7.1-12.3 HA2 GLY 69 - H SER 66 far 0 25 0 - 7.5-12.2 HA2 GLY 69 - H ASN 54 far 0 63 0 - 9.4-30.0 HA3 GLY 69 - H ASN 54 far 0 65 0 - 10.0-28.5 Violated in 1 structures by 0.00 A. Peak 1052 from nnoeabs.peaks (3.76, 8.07, 122.80 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * HA PHE 52 + H ARG 55 OK 100 100 100 100 3.8-4.2 3817=100, 3818/764=58...(5) HA ILE 50 - H ARG 55 far 0 89 0 - 6.1-6.9 HA2 GLY 69 - H ARG 55 far 0 97 0 - 9.9-30.0 HA3 GLY 69 - H ARG 55 far 0 97 0 - 10.0-28.4 Violated in 0 structures by 0.00 A. Peak 1056 from nnoeabs.peaks (8.29, 7.75, 117.78 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.95: * H ASN 54 + H ARG 56 OK 95 100 100 95 4.0-4.6 904/279=85, 3.6/3824=66 H TRP 51 - H ARG 56 far 0 60 0 - 7.6-8.0 H LYS 62 - H ARG 56 far 0 99 0 - 7.6-13.8 H SER 66 - H ARG 56 far 0 93 0 - 8.7-21.9 Violated in 0 structures by 0.00 A. Peak 1057 from nnoeabs.peaks (3.94, 7.75, 117.78 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 53 + H ARG 56 OK 100 100 100 100 3.5-4.2 3824=100, 3827/773=64...(6) HB2 SER 65 - H ARG 56 far 0 99 0 - 7.4-21.7 Violated in 0 structures by 0.00 A. Peak 1059 from nnoeabs.peaks (7.68, 7.75, 117.78 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 58 + H ARG 56 OK 99 100 100 99 3.9-4.2 907/287=78, 3843/3.0=70...(4) Violated in 0 structures by 0.00 A. Peak 1062 from nnoeabs.peaks (4.36, 7.56, 119.05 ppm; 4.09 A): 1 out of 8 assignments used, quality = 0.99: * HA ASN 54 + H TYR 57 OK 99 100 100 99 3.2-3.5 3831=74, 3834/781=60...(6) HB2 SER 12 - H GLU 18 far 0 58 0 - 6.7-9.0 HA HIS 13 - H GLU 18 far 0 56 0 - 7.2-7.9 HA LEU 41 - H GLU 18 far 0 65 0 - 7.3-7.9 HA LEU 68 - H TYR 57 far 0 99 0 - 8.6-26.7 HA LYS 22 - H GLU 18 far 0 75 0 - 9.2-9.6 HA LEU 64 - H TYR 57 far 0 85 0 - 9.5-19.3 HA LYS 49 - H TYR 57 far 0 65 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 1064 from nnoeabs.peaks (4.08, 7.68, 119.80 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.63: HA LYS 58 + H LYS 58 OK 63 63 100 100 2.9-2.9 3.0=100 ! HA ARG 56 - H LYS 58 far 0 100 0 - 3.9-4.6 Violated in 0 structures by 0.00 A. Peak 1065 from nnoeabs.peaks (7.75, 7.68, 119.80 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.98: * H ARG 56 + H LYS 58 OK 91 100 95 96 3.9-4.2 1059=62, 287/907=61...(4) H THR 59 + H LYS 58 OK 77 78 100 98 2.3-2.5 4.6=70, 4.6/787=49...(9) QD PHE 52 - H LYS 58 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 1066 from nnoeabs.peaks (3.43, 7.68, 119.80 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.99: * HA ARG 55 + H LYS 58 OK 99 100 100 99 3.2-3.7 3838=76, 3841/787=67...(7) Violated in 0 structures by 0.00 A. Peak 4001 from nnoeabs.peaks (2.48, 7.92, 111.33 ppm; 5.32 A increased from 5.01 A): 1 out of 4 assignments used, quality = 0.78: HB2 GLN 15 + H THR 14 OK 78 78 100 99 4.6-5.2 511/866=90, 4.7/923=61...(5) HG3 GLN 15 - H THR 14 far 0 100 0 - 6.8-7.2 HG3 MET 11 - H THR 14 far 0 100 0 - 8.9-9.9 HG2 GLU 20 - H THR 14 far 0 85 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 4012 from nnoeabs.peaks (9.37, 7.51, 120.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.99: H SER 12 + H GLN 15 OK 99 100 100 100 3.5-4.4 4700=81, 4013/508=68...(7) Violated in 0 structures by 0.00 A. Peak 4016 from nnoeabs.peaks (1.02, 7.51, 120.36 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 16 + H GLN 15 OK 98 98 100 100 4.0-4.5 517/19=81, 2.1/4018=63...(7) QG1 VAL 16 - H GLN 15 far 0 97 0 - 5.9-6.1 QG1 VAL 48 - H GLN 15 far 0 71 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 4017 from nnoeabs.peaks (2.00, 7.51, 120.36 ppm; 5.26 A increased from 4.95 A): 1 out of 3 assignments used, quality = 1.00: HB2 MET 11 + H GLN 15 OK 100 100 100 100 4.6-5.2 4022/508=74, 4711/4.0=72...(6) HB2 GLU 18 - H GLN 15 far 0 100 0 - 5.4-6.3 HB3 GLU 18 - H GLN 15 far 0 100 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 4018 from nnoeabs.peaks (2.08, 7.51, 120.36 ppm; 5.17 A increased from 4.86 A): 1 out of 1 assignment used, quality = 1.00: HB VAL 16 + H GLN 15 OK 100 100 100 100 4.8-5.1 516/19=92, 2.1/4016=87...(4) Violated in 0 structures by 0.00 A. Peak 4031 from nnoeabs.peaks (1.89, 7.79, 112.24 ppm; 5.23 A increased from 4.65 A): 1 out of 2 assignments used, quality = 0.76: HG LEU 41 + HE21 GLN 15 OK 76 76 100 100 4.8-5.3 2.1/4035=86, 3.0/4435=64...(17) HB2 LYS 42 - HE21 GLN 15 far 5 100 5 - 5.3-6.0 Violated in 1 structures by 0.00 A. Peak 4032 from nnoeabs.peaks (2.16, 7.79, 112.24 ppm; 4.35 A increased from 4.10 A): 1 out of 2 assignments used, quality = 0.97: HB3 LYS 42 + HE21 GLN 15 OK 97 98 100 99 3.7-4.4 4469=87, 4039/1.7=80...(5) HB VAL 48 - HE21 GLN 15 far 0 100 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 4033 from nnoeabs.peaks (1.46, 7.79, 112.24 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: HG LEU 43 + HE21 GLN 15 OK 98 99 100 100 2.2-3.8 4037/1.7=72, 2.1/4034=71...(11) Violated in 1 structures by 0.00 A. Peak 4034 from nnoeabs.peaks (0.84, 7.79, 112.24 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 43 + HE21 GLN 15 OK 98 98 100 100 2.8-3.7 4494=79, 4041/1.7=77...(12) Violated in 1 structures by 0.00 A. Peak 4035 from nnoeabs.peaks (0.75, 7.79, 112.24 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 41 + HE21 GLN 15 OK 100 100 100 100 3.8-4.2 4436=81, 2.1/4031=65...(20) Violated in 0 structures by 0.00 A. Peak 4036 from nnoeabs.peaks (0.67, 7.79, 112.24 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.89: QD1 LEU 43 + HE21 GLN 15 OK 89 89 100 100 2.0-4.1 2.1/4034=93, 2.1/4033=91...(13) QD1 ILE 17 - HE21 GLN 15 far 0 63 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 4037 from nnoeabs.peaks (1.47, 6.69, 112.24 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: HG LEU 43 + HE22 GLN 15 OK 100 100 100 100 2.3-3.1 2.1/4041=79, 4033/1.7=77...(11) Violated in 0 structures by 0.00 A. Peak 4038 from nnoeabs.peaks (1.88, 6.69, 112.24 ppm; 5.56 A increased from 4.68 A): 1 out of 2 assignments used, quality = 0.98: HB2 LYS 42 + HE22 GLN 15 OK 98 98 100 100 4.8-5.6 1.8/4039=99, ~4032=83...(4) HG LEU 41 - HE22 GLN 15 far 0 93 0 - 5.8-6.5 Violated in 0 structures by 0.00 A. Peak 4039 from nnoeabs.peaks (2.16, 6.69, 112.24 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.97: HB3 LYS 42 + HE22 GLN 15 OK 97 100 100 97 3.5-4.2 4032/1.7=74, 4655=73...(4) HB VAL 48 - HE22 GLN 15 far 0 99 0 - 9.4-10.3 Violated in 1 structures by 0.00 A. Peak 4040 from nnoeabs.peaks (0.65, 6.69, 112.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HE22 GLN 15 OK 100 100 100 100 2.8-3.4 2.1/4041=93, 2.1/4037=86...(12) Violated in 0 structures by 0.00 A. Peak 4041 from nnoeabs.peaks (0.85, 6.69, 112.24 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 43 + HE22 GLN 15 OK 100 100 100 100 2.0-2.6 4497=92, 4034/1.7=63...(11) Violated in 0 structures by 0.00 A. Peak 4055 from nnoeabs.peaks (1.84, 7.83, 117.36 ppm; 5.08 A increased from 4.52 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 17 + H VAL 16 OK 99 100 100 99 4.8-5.1 521/868=93, 34/932=66...(4) HB3 MET 11 + H VAL 16 OK 99 99 100 100 3.9-5.1 1.8/4056=92, 4065/517=89...(5) HG LEU 41 - H VAL 16 far 0 71 0 - 8.2-9.1 HG2 ARG 21 - H VAL 16 far 0 89 0 - 8.6-10.7 HB3 GLN 47 - H VAL 16 far 0 90 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4056 from nnoeabs.peaks (1.98, 7.83, 117.36 ppm; 4.50 A): 1 out of 5 assignments used, quality = 0.95: HB2 MET 11 + H VAL 16 OK 95 96 100 100 3.5-4.4 4712/517=73, 4729=68...(7) HB2 GLU 18 - H VAL 16 far 0 97 0 - 5.2-5.8 HB3 GLU 18 - H VAL 16 far 0 97 0 - 6.9-7.5 HD3 ARG 55 - H VAL 16 far 0 95 0 - 7.9-9.0 HB2 ARG 21 - H VAL 16 far 0 87 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 4105 from nnoeabs.peaks (1.01, 7.98, 124.25 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.74: QG1 VAL 16 + H LEU 19 OK 74 76 100 97 4.1-4.5 3.2/945=79, 4120/45=42...(6) QG2 VAL 16 - H LEU 19 far 0 100 0 - 5.2-5.5 QG1 VAL 48 - H LEU 19 far 0 95 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 4120 from nnoeabs.peaks (1.03, 8.41, 118.68 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 16 + H GLU 20 OK 100 100 100 100 3.5-4.1 4058/544=59, 3.2/951=56...(10) QG2 VAL 16 - H GLU 20 far 0 85 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 4125 from nnoeabs.peaks (7.25, 8.41, 118.68 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 51 + H GLU 20 OK 100 100 100 100 3.3-4.1 4688/543=82, 4684/3.0=79...(11) Violated in 0 structures by 0.00 A. Peak 4126 from nnoeabs.peaks (6.45, 8.41, 118.68 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 51 + H GLU 20 OK 99 99 100 100 3.2-4.0 4681=99, 4685/3.0=92...(9) Violated in 0 structures by 0.00 A. Peak 4127 from nnoeabs.peaks (6.45, 4.21, 118.68 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 4134 from nnoeabs.peaks (7.57, 8.31, 121.06 ppm; 5.16 A increased from 4.86 A): 1 out of 1 assignment used, quality = 0.93: H GLU 18 + H ARG 21 OK 93 93 100 100 4.9-5.1 3.0/3692=89, 3.6/956=73...(5) Violated in 0 structures by 0.00 A. Peak 4135 from nnoeabs.peaks (0.81, 8.31, 121.06 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 17 + H ARG 21 OK 99 99 100 100 3.6-4.0 3.2/956=68, 4809/547=66...(9) Violated in 0 structures by 0.00 A. Peak 4147 from nnoeabs.peaks (0.94, 8.03, 120.92 ppm; 4.92 A increased from 4.63 A): 2 out of 3 assignments used, quality = 0.92: QD2 LEU 37 + H LYS 22 OK 85 85 100 100 4.3-4.8 4150/555=70, 4151/556=66...(11) QD1 LEU 37 + H LYS 22 OK 49 68 90 81 4.4-5.2 ~4149=44, 4815/559=32...(6) QG2 VAL 48 - H LYS 22 far 0 92 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 4179 from nnoeabs.peaks (4.35, 7.63, 118.44 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.91: HA LYS 22 + H HIS 25 OK 91 100 100 91 3.4-3.7 4161/3.9=54, 4180/3.9=50...(4) Violated in 0 structures by 0.00 A. Peak 4186 from nnoeabs.peaks (4.75, 8.51, 121.11 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.21: HA PHE 23 + H GLN 26 OK 21 100 100 21 3.2-3.6 3.6/878=20 Violated in 0 structures by 0.00 A. Peak 4190 from nnoeabs.peaks (4.60, 7.40, 113.37 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.92: HA LEU 29 + HE21 GLN 26 OK 92 93 100 98 2.9-4.1 4191/1.7=88...(5) Violated in 0 structures by 0.00 A. Peak 4191 from nnoeabs.peaks (4.59, 7.64, 113.37 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.93: HA LEU 29 + HE22 GLN 26 OK 93 100 100 93 2.2-3.6 4190/1.7=54...(6) Violated in 0 structures by 0.00 A. Peak 4195 from nnoeabs.peaks (0.46, 7.40, 113.37 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + HE21 GLN 26 OK 99 100 100 99 2.4-3.5 4196/1.7=80, 4253=73...(8) Violated in 0 structures by 0.00 A. Peak 4196 from nnoeabs.peaks (0.47, 7.64, 113.37 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 29 + HE22 GLN 26 OK 98 99 100 98 1.9-3.5 4251=76, 4195/1.7=61...(9) Violated in 0 structures by 0.00 A. Peak 4199 from nnoeabs.peaks (7.13, 8.12, 119.98 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 28 + H LYS 27 OK 99 100 100 100 3.5-4.3 4666/589=77, 4663=77...(5) Violated in 0 structures by 0.00 A. Peak 4213 from nnoeabs.peaks (4.49, 7.50, 113.08 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.82: HA GLN 26 + H TYR 28 OK 82 100 85 97 4.0-4.8 92/879=86, 3.9/4218=57...(4) Violated in 3 structures by 0.03 A. Peak 4218 from nnoeabs.peaks (2.29, 7.50, 113.08 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 26 + H TYR 28 OK 99 100 100 99 2.7-4.0 4782=85, 96/879=60...(6) HG2 GLN 26 - H TYR 28 poor 20 100 20 - 3.8-5.4 HB3 GLU 33 - H TYR 28 far 0 68 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 4220 from nnoeabs.peaks (2.02, 7.50, 113.08 ppm; 4.66 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLN 26 + H TYR 28 OK 99 100 100 99 2.6-3.8 3.0/4218=71, 3.0/4213=67...(5) HB3 GLN 26 + H TYR 28 OK 74 100 75 99 4.3-5.5 3.0/4218=71, 3.0/4213=67...(5) HB3 ARG 56 - HD21 ASN 54 far 0 49 0 - 8.0-9.8 HB2 MET 11 - HD21 ASN 54 far 0 28 0 - 8.2-11.2 HB3 ARG 56 - H TYR 28 far 0 96 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 4257 from nnoeabs.peaks (7.64, 8.98, 118.86 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.99: HE22 GLN 26 + H SER 30 OK 99 99 100 100 4.1-4.9 4861=98, 4191/3438=83 H HIS 25 - H SER 30 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4258 from nnoeabs.peaks (7.21, 8.98, 118.86 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: H GLU 33 + H SER 30 OK 99 99 100 100 3.8-4.0 4300=99, 619/4302=74...(7) Violated in 0 structures by 0.00 A. Peak 4259 from nnoeabs.peaks (8.74, 8.98, 118.86 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.94: H ARG 34 + H SER 30 OK 94 95 100 100 3.2-3.7 4828=59, 136/4302=58...(10) Violated in 0 structures by 0.00 A. Peak 4260 from nnoeabs.peaks (1.89, 8.98, 118.86 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLU 33 + H SER 30 OK 99 99 100 100 2.7-3.1 4301=78, 1.8/4302=69...(11) HB3 LYS 49 - H SER 30 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 4261 from nnoeabs.peaks (2.22, 8.98, 118.86 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.96: HG3 GLU 33 + H SER 30 OK 96 97 100 100 3.6-4.5 3.0/4260=73, 4304=70...(8) Violated in 1 structures by 0.00 A. Peak 4262 from nnoeabs.peaks (2.31, 8.98, 118.86 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 33 + H SER 30 OK 99 100 100 99 1.9-2.1 1.8/4260=55, 4302=54...(13) HG2 GLU 33 + H SER 30 OK 56 99 60 95 3.1-4.7 3.0/4260=43, 1.8/4261=41...(11) HG3 GLN 26 - H SER 30 far 0 68 0 - 5.6-6.3 HG2 GLN 26 - H SER 30 far 0 65 0 - 5.9-6.9 HB3 PRO 32 - H SER 30 far 0 99 0 - 7.9-8.0 Violated in 0 structures by 0.00 A. Peak 4270 from nnoeabs.peaks (3.91, 9.18, 123.12 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 32 + H ALA 31 OK 100 100 100 100 3.1-3.2 4285=90, 1.8/4271=75...(13) Violated in 0 structures by 0.00 A. Peak 4271 from nnoeabs.peaks (3.80, 9.18, 123.12 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 32 + H ALA 31 OK 100 100 100 100 2.1-2.2 4274/2.9=85, 4286=79...(13) HA ARG 34 - H ALA 31 far 0 95 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 4300 from nnoeabs.peaks (8.98, 7.21, 117.78 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: H SER 30 + H GLU 33 OK 100 100 100 100 3.8-4.0 4258=88, 4302/619=71...(7) Violated in 0 structures by 0.00 A. Peak 4314 from nnoeabs.peaks (1.24, 8.73, 121.67 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: HB2 LEU 29 + H ARG 34 OK 99 99 100 100 2.9-3.4 4245=66, 1.8/4246=52...(19) Violated in 0 structures by 0.00 A. Peak 4315 from nnoeabs.peaks (0.45, 8.73, 121.67 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + H ARG 34 OK 99 99 100 100 3.6-4.7 2.1/4316=82, 3.1/4314=77...(17) Violated in 0 structures by 0.00 A. Peak 4316 from nnoeabs.peaks (0.16, 8.73, 121.67 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + H ARG 34 OK 99 99 100 100 3.8-4.2 4326/2.9=78, 3.1/4314=69...(16) Violated in 0 structures by 0.00 A. Peak 4351 from nnoeabs.peaks (2.07, 8.15, 120.97 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLU 45 + H ALA 35 OK 100 100 100 100 3.5-4.5 4355/3.0=84, 4362/632=74...(11) HB2 GLU 45 - H ALA 35 far 0 73 0 - 5.7-6.8 HG3 PRO 32 - H ALA 35 far 0 57 0 - 5.9-6.3 HB3 GLU 45 - H ALA 35 far 0 78 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 4352 from nnoeabs.peaks (2.33, 8.15, 120.97 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.88: HB3 GLU 33 + H ALA 35 OK 88 98 90 99 4.9-5.2 137/139=90, 3.0/3731=73...(4) HB3 PRO 32 - H ALA 35 far 0 87 0 - 5.6-6.0 HG2 GLU 33 - H ALA 35 far 0 100 0 - 6.4-7.4 Violated in 4 structures by 0.02 A. Peak 4353 from nnoeabs.peaks (3.19, 8.15, 120.97 ppm; 4.84 A increased from 4.55 A): 1 out of 2 assignments used, quality = 0.94: HB3 HIS 36 + H ALA 35 OK 94 100 95 99 4.5-5.0 152/989=78, 4.0/147=76...(6) HB2 HIS 36 - H ALA 35 far 0 100 0 - 5.1-6.2 Violated in 3 structures by 0.01 A. Peak 4366 from nnoeabs.peaks (1.71, 7.99, 118.30 ppm; 4.97 A increased from 4.68 A): 3 out of 4 assignments used, quality = 0.87: HB3 LEU 37 + H HIS 36 OK 77 85 100 91 4.7-4.9 4.0/886=83, 4.4/987=43 HD3 LYS 39 + H HIS 36 OK 32 85 40 94 4.4-6.8 ~4368=45, ~4788=41...(12) HD2 LYS 39 + H HIS 36 OK 20 85 25 94 4.7-6.4 ~4368=45, ~4788=41...(11) HG2 LYS 22 - H HIS 36 far 0 100 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 4389 from nnoeabs.peaks (1.33, 8.07, 120.69 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.93: QB ALA 38 + H LEU 37 OK 93 93 100 99 4.1-4.2 2.9/887=86, 3.6/992=53...(6) HG2 ARG 34 - H LEU 37 far 0 97 0 - 4.9-5.8 Violated in 0 structures by 0.00 A. Peak 4399 from nnoeabs.peaks (1.93, 8.44, 119.33 ppm; 5.20 A increased from 4.38 A): 1 out of 3 assignments used, quality = 1.00: HB3 LYS 39 + H ALA 38 OK 100 100 100 100 5.0-5.1 4415=99, 651/888=99...(7) HB2 ARG 34 - H ALA 38 far 0 96 0 - 5.5-5.9 HB2 LYS 39 - H ALA 38 far 0 100 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 4400 from nnoeabs.peaks (3.19, 8.44, 119.33 ppm; 5.67 A increased from 5.04 A): 1 out of 2 assignments used, quality = 1.00: HB3 HIS 36 + H ALA 38 OK 100 100 100 100 5.4-5.7 153/887=98, 3.0/993=81...(4) HB2 HIS 36 - H ALA 38 far 5 100 5 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 4416 from nnoeabs.peaks (0.97, 7.67, 116.42 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.92: QG2 VAL 48 + H LYS 39 OK 92 93 100 99 4.6-4.7 161/888=81, 4405/164=81...(4) QD1 LEU 37 - H LYS 39 far 0 100 0 - 5.5-5.9 Violated in 1 structures by 0.00 A. Peak 4417 from nnoeabs.peaks (2.75, 7.67, 116.42 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.83: HB2 ASN 40 + H LYS 39 OK 83 87 100 96 4.5-4.6 3.9/889=82, 4.2/1008=55 Violated in 0 structures by 0.00 A. Peak 4419 from nnoeabs.peaks (1.36, 8.02, 117.69 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.88: QB ALA 38 + H ASN 40 OK 88 89 100 99 4.2-4.4 3.6/889=76, 2.9/997=70...(5) HG2 LYS 42 - H ASN 40 far 0 99 0 - 6.3-8.4 HG3 LYS 42 - H ASN 40 far 0 99 0 - 6.4-8.1 HG2 ARG 34 - H ASN 40 far 0 83 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 4420 from nnoeabs.peaks (0.95, 8.02, 117.69 ppm; 4.86 A increased from 4.58 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 37 + H ASN 40 OK 97 97 100 100 4.3-4.8 1943/3758=83...(7) QG2 VAL 48 - H ASN 40 far 0 100 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 4421 from nnoeabs.peaks (0.74, 8.02, 117.69 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 41 + H ASN 40 OK 97 97 100 100 4.2-4.6 669/175=86, 4424/3.0=76...(6) QD1 LEU 41 - H ASN 40 far 4 83 5 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 4431 from nnoeabs.peaks (4.07, 7.29, 110.97 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 37 + HD21 ASN 40 OK 99 100 100 99 2.6-3.1 3759/3.5=71, 4432/1.7=69...(5) HA GLU 33 - HD21 ASN 40 far 0 99 0 - 7.1-8.0 HA LYS 39 - HD21 ASN 40 far 0 89 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 4432 from nnoeabs.peaks (4.07, 6.52, 110.97 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 37 + HD22 ASN 40 OK 99 100 100 100 4.1-4.4 4431/1.7=89, 3759/3.5=80...(4) HA GLU 33 - HD22 ASN 40 far 0 99 0 - 7.6-8.2 HA LYS 39 - HD22 ASN 40 far 0 89 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 4433 from nnoeabs.peaks (0.95, 7.29, 110.97 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 37 + HD21 ASN 40 OK 95 97 100 97 3.0-3.6 1943/4431=63...(4) QG2 VAL 48 - HD21 ASN 40 far 0 100 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4434 from nnoeabs.peaks (8.34, 8.06, 116.05 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.97: H LEU 43 + H LEU 41 OK 97 97 100 100 3.1-3.4 4499=93, 188/181=77...(9) Violated in 0 structures by 0.00 A. Peak 4441 from nnoeabs.peaks (3.99, 8.06, 116.05 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 42 + H LEU 41 OK 98 99 100 99 4.4-4.5 672/181=88, 4467=78, 189/4499=63 HA ALA 35 - H LEU 41 far 0 100 0 - 7.7-8.0 Violated in 3 structures by 0.00 A. Peak 4465 from nnoeabs.peaks (0.95, 8.06, 116.05 ppm; 4.95 A increased from 4.66 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 37 + H LEU 41 OK 93 97 95 100 4.4-5.1 4790/668=79, 4377/670=75...(8) QG2 VAL 48 + H LEU 41 OK 53 100 55 96 4.8-5.2 4403/3765=72...(5) Violated in 0 structures by 0.00 A. Peak 4466 from nnoeabs.peaks (4.08, 7.90, 117.73 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.97: HA LYS 39 + H LYS 42 OK 97 99 100 97 3.2-3.5 4893=88, 3770/181=58 HA LEU 37 - H LYS 42 far 0 92 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 4470 from nnoeabs.peaks (0.95, 8.33, 119.56 ppm; 4.62 A increased from 4.35 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + H LEU 43 OK 100 100 100 100 4.2-4.6 4405/193=76, 4577/683=75...(9) QD1 LEU 37 - H LEU 43 far 0 98 0 - 6.6-7.4 Violated in 3 structures by 0.00 A. Peak 4471 from nnoeabs.peaks (0.74, 8.33, 119.56 ppm; 5.22 A increased from 4.91 A): 1 out of 2 assignments used, quality = 0.86: QD1 LEU 41 + H LEU 43 OK 86 87 100 99 4.7-5.3 3.1/684=92, 4.8/4499=60...(6) QD2 LEU 41 - H LEU 43 poor 19 96 20 - 5.2-5.5 Violated in 2 structures by 0.00 A. Peak 4485 from nnoeabs.peaks (3.60, 8.33, 119.56 ppm; 3.99 A increased from 3.75 A): 1 out of 2 assignments used, quality = 0.98: HA ALA 38 + H LEU 43 OK 98 98 100 100 3.6-3.8 4393=97, 2.1/193=75...(10) HA VAL 48 - H LEU 43 far 0 71 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 4486 from nnoeabs.peaks (4.08, 8.33, 119.56 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.93: HA LYS 39 + H LEU 43 OK 93 100 100 93 3.1-3.6 4893/188=64, 4411/192=56 HA LEU 37 - H LEU 43 far 0 71 0 - 7.3-7.4 HB THR 46 - H LEU 43 far 0 71 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 4499 from nnoeabs.peaks (8.06, 8.33, 119.56 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.99: H LEU 41 + H LEU 43 OK 99 99 100 100 3.1-3.4 4434=88, 181/892=78...(9) H GLN 47 - H LEU 43 far 0 96 0 - 7.5-7.8 H LEU 37 - H LEU 43 far 0 100 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 4500 from nnoeabs.peaks (8.05, 8.84, 109.64 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.99: H GLN 47 + H THR 44 OK 99 99 100 100 3.4-3.7 4562=96, 704/4563=63...(8) H LEU 41 - H THR 44 far 0 97 0 - 7.2-7.5 H ASN 40 - H THR 44 far 0 63 0 - 8.3-8.7 H LEU 37 - H THR 44 far 0 81 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 4501 from nnoeabs.peaks (7.70, 8.84, 109.64 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.88: H VAL 48 + H THR 44 OK 88 89 100 99 3.6-4.1 4.0/4505=62, 4.7/4564=61...(7) H LYS 39 - H THR 44 far 0 68 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 4505 from nnoeabs.peaks (0.95, 8.84, 109.64 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + H THR 44 OK 100 100 100 100 3.4-4.1 4476/201=72, 4577/200=65...(9) QD1 LEU 37 - H THR 44 far 0 99 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 4506 from nnoeabs.peaks (1.83, 8.84, 109.64 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.98: HB3 GLN 47 + H THR 44 OK 98 98 100 100 3.3-4.1 4564=97, 1.8/4563=70...(11) HB3 MET 11 - H THR 44 far 0 100 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 4507 from nnoeabs.peaks (2.41, 8.84, 109.64 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 47 + H THR 44 OK 99 99 100 100 2.7-4.5 4566=83, 3.0/4564=70...(8) HG2 GLU 45 - H THR 44 far 0 97 0 - 6.4-6.9 HG2 MET 11 - H THR 44 far 0 76 0 - 6.4-7.7 Violated in 1 structures by 0.00 A. Peak 4508 from nnoeabs.peaks (2.57, 8.84, 109.64 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 47 + H THR 44 OK 95 96 100 100 2.0-2.6 1.8/4564=63, 4563=56...(11) HG2 GLN 47 + H THR 44 OK 74 81 95 97 2.4-4.3 1.8/4507=53, 3.0/4564=49...(9) Violated in 0 structures by 0.00 A. Peak 4510 from nnoeabs.peaks (1.33, 9.24, 121.30 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.94: QB ALA 38 + H GLU 45 OK 94 96 100 98 3.3-3.6 4397=65, 4515/696=57...(6) HG2 ARG 34 - H GLU 45 far 0 98 0 - 5.2-6.1 Violated in 0 structures by 0.00 A. Peak 4531 from nnoeabs.peaks (4.66, 8.14, 115.25 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.94: HA THR 44 + H THR 46 OK 94 100 100 94 4.0-4.2 3.0/4799=78, 206/209=64 Violated in 3 structures by 0.00 A. Peak 4539 from nnoeabs.peaks (0.95, 8.05, 120.26 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 48 + H GLN 47 OK 98 99 100 99 4.1-4.3 714/897=75, 2.1/4541=54...(6) QD2 LEU 37 - H GLN 47 far 0 63 0 - 8.7-9.3 QD1 LEU 37 - H GLN 47 far 0 89 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 4541 from nnoeabs.peaks (2.16, 8.05, 120.26 ppm; 5.10 A increased from 4.53 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 48 + H GLN 47 OK 100 100 100 100 4.8-5.1 2.1/4539=91, 712/897=91...(4) HB2 GLN 53 - H GLN 47 far 0 97 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 4557 from nnoeabs.peaks (1.94, 6.91, 112.23 ppm; 4.92 A): 0 out of 1 assignment used, quality = 0.00: HB ILE 50 - HE21 GLN 47 far 0 99 0 - 6.1-8.2 Violated in 20 structures by 2.21 A. Peak 4558 from nnoeabs.peaks (0.86, 6.91, 112.23 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 43 + HE21 GLN 47 OK 97 100 100 97 2.0-3.1 4559/1.7=64, 4496=57...(9) Violated in 0 structures by 0.00 A. Peak 4559 from nnoeabs.peaks (0.86, 7.67, 112.23 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 43 + HE22 GLN 47 OK 100 100 100 100 2.1-3.6 4848=89, 4558/1.7=86...(10) Violated in 0 structures by 0.00 A. Peak 4560 from nnoeabs.peaks (1.96, 7.67, 112.23 ppm; 4.47 A): 0 out of 2 assignments used, quality = 0.00: HB ILE 50 - HE22 GLN 47 far 0 73 0 - 4.8-8.6 HD3 ARG 55 - HE22 GLN 47 far 0 97 0 - 9.3-12.5 Violated in 20 structures by 1.67 A. Peak 4562 from nnoeabs.peaks (8.85, 8.05, 120.26 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.97: H THR 44 + H GLN 47 OK 97 98 100 99 3.4-3.7 4500=72, 4564/705=53...(8) Violated in 0 structures by 0.00 A. Peak 4568 from nnoeabs.peaks (1.34, 7.68, 118.72 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 38 + H VAL 48 OK 99 100 100 99 3.5-3.8 4405/714=93, 4409/712=71...(5) HG2 ARG 34 - H VAL 48 far 0 100 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 4589 from nnoeabs.peaks (3.29, 8.54, 121.11 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.90: HD3 ARG 34 + H LYS 49 OK 90 90 100 100 3.4-3.9 4344=83, 1.8/4345=60...(10) HB2 PHE 52 - H LYS 49 far 0 97 0 - 5.1-7.7 HB3 TRP 51 - H LYS 49 far 0 99 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 4590 from nnoeabs.peaks (3.53, 8.54, 121.11 ppm; 5.39 A increased from 4.54 A): 2 out of 3 assignments used, quality = 0.96: HD2 ARG 34 + H LYS 49 OK 92 92 100 100 4.5-5.2 1.8/4589=96, 4345=85...(9) HB2 TRP 51 + H LYS 49 OK 53 65 90 91 5.1-5.8 4.1/1031=68, 3790/3.6=55 HB3 PHE 52 - H LYS 49 far 5 100 5 - 5.5-7.3 Violated in 0 structures by 0.00 A. Peak 4616 from nnoeabs.peaks (3.24, 9.95, 128.50 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.96: HA VAL 16 + HE1 TRP 51 OK 96 96 100 100 3.1-4.0 4727/2.8=75, 3.2/4047=71...(12) Violated in 0 structures by 0.00 A. Peak 4617 from nnoeabs.peaks (2.47, 9.95, 128.50 ppm; 5.32 A increased from 5.01 A): 1 out of 4 assignments used, quality = 0.99: HG2 GLU 20 + HE1 TRP 51 OK 99 100 100 99 4.6-5.3 4688/2.8=91, 4691/5.0=63...(5) HG3 MET 11 - HE1 TRP 51 far 5 90 5 - 5.0-8.0 HG3 GLN 15 - HE1 TRP 51 far 0 89 0 - 5.7-7.4 HB2 ASN 54 - HE1 TRP 51 far 0 99 0 - 6.3-7.6 Violated in 1 structures by 0.00 A. Peak 4618 from nnoeabs.peaks (2.06, 9.95, 128.50 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.97: HB VAL 16 + HE1 TRP 51 OK 97 97 100 100 4.5-5.0 2.1/4047=86, 2.1/4048=83...(11) HB3 GLU 20 - HE1 TRP 51 far 0 76 0 - 6.7-7.6 HB2 LYS 22 - HE1 TRP 51 far 0 99 0 - 8.5-10.7 HB2 GLU 67 - HE1 TRP 51 far 0 76 0 - 8.9-35.5 HB3 ARG 56 - HE1 TRP 51 far 0 65 0 - 10.0-11.5 Violated in 2 structures by 0.00 A. Peak 4619 from nnoeabs.peaks (1.96, 9.95, 128.50 ppm; 4.11 A): 1 out of 4 assignments used, quality = 0.89: HD3 ARG 55 + HE1 TRP 51 OK 89 92 100 97 2.4-3.1 4677/2.6=77, 4630/2.8=42...(10) HB ILE 50 - HE1 TRP 51 far 0 83 0 - 8.3-8.8 HB3 GLU 67 - HE1 TRP 51 far 0 100 0 - 9.0-36.1 HB2 ARG 21 - HE1 TRP 51 far 0 97 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 4620 from nnoeabs.peaks (1.03, 9.95, 128.50 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 16 + HE1 TRP 51 OK 96 99 100 97 1.9-2.3 4690/2.8=45, 4048=37...(14) QG2 VAL 16 + HE1 TRP 51 OK 87 95 95 96 2.5-3.3 2.1/4048=36, 4047=35...(13) QG1 VAL 48 - HE1 TRP 51 far 0 60 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 4624 from nnoeabs.peaks (2.14, 8.27, 121.67 ppm; 5.21 A increased from 4.91 A): 2 out of 3 assignments used, quality = 0.97: HB2 LYS 49 + H TRP 51 OK 95 96 100 99 4.6-5.3 234/242=78, 717/1031=67...(6) HB2 GLN 53 + H TRP 51 OK 43 97 45 98 4.7-6.9 3804/3.6=85, 4607/245=67...(4) HB VAL 48 - H TRP 51 far 0 71 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 4632 from nnoeabs.peaks (1.00, 8.94, 119.28 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.97: QG1 VAL 48 + H PHE 52 OK 97 100 100 97 3.5-4.1 4792/747=70...(4) QG2 VAL 16 - H PHE 52 far 0 87 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 4657 from nnoeabs.peaks (0.92, 8.29, 117.45 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 50 + H ASN 54 OK 99 100 100 99 3.2-3.7 2474/1048=62...(9) QD1 LEU 64 - H SER 66 far 7 46 15 - 3.6-7.8 Violated in 0 structures by 0.00 A. Peak 4660 from nnoeabs.peaks (0.91, 7.49, 112.83 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.99: QG2 ILE 50 + HD21 ASN 54 OK 99 100 100 99 2.1-3.5 4661/1.7=81, 4596=70...(8) QD1 LEU 64 - H TYR 28 far 0 53 0 - 7.5-25.2 QD2 LEU 37 - H TYR 28 far 0 54 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 4661 from nnoeabs.peaks (0.92, 6.91, 112.83 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.94: QG2 ILE 50 + HD22 ASN 54 OK 94 100 100 94 2.1-3.1 4597=62, 4660/1.7=61...(7) Violated in 0 structures by 0.00 A. Peak 4664 from nnoeabs.peaks (4.02, 7.49, 112.83 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.98: HA TRP 51 + HD21 ASN 54 OK 98 100 100 98 2.6-4.6 3813/3.4=71...(4) HB2 SER 30 - H TYR 28 far 0 50 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 4666 from nnoeabs.peaks (4.81, 6.91, 112.83 ppm; 4.23 A): 0 out of 0 assignments used, quality = 0.00: Peak 4672 from nnoeabs.peaks (7.16, 7.75, 117.78 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.97: QE PHE 23 + H ARG 56 OK 97 97 100 100 3.5-4.4 4673/3.0=74, 4646/775=66...(13) QD TYR 57 - H ARG 56 far 0 85 0 - 5.9-6.3 HD1 TRP 51 - H ARG 56 far 0 76 0 - 7.9-8.4 HZ PHE 52 - H ARG 56 far 0 93 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 4700 from nnoeabs.peaks (7.50, 9.36, 119.62 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: H GLN 15 + H SER 12 OK 100 100 100 100 3.5-4.4 4012=99, 508/4013=69...(7) HD21 ASN 54 - H SER 12 far 0 87 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 4737 from nnoeabs.peaks (2.40, 9.36, 119.62 ppm; 4.94 A): 1 out of 5 assignments used, quality = 0.93: HG2 MET 11 + H SER 12 OK 93 93 100 100 3.8-4.6 3.0/8=81, 3.8/3349=79...(5) HG3 GLU 18 - H SER 12 far 0 99 0 - 7.7-10.4 HG3 GLU 20 - H SER 12 far 0 76 0 - 8.1-10.9 HD2 ARG 55 - H SER 12 far 0 99 0 - 9.1-12.5 HG3 GLN 47 - H SER 12 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 4738 from nnoeabs.peaks (2.50, 9.36, 119.62 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.98: HB2 GLN 15 + H SER 12 OK 94 100 95 99 2.7-4.0 4013=57, 1.8/4014=56...(8) HG3 GLN 15 + H SER 12 OK 61 85 75 96 3.4-4.4 3.0/4014=46, 3.0/4013=43...(8) HG3 MET 11 + H SER 12 OK 24 83 30 95 3.5-5.1 3.0/8=55, 3.8/3349=54...(6) Violated in 0 structures by 0.00 A. Peak 4739 from nnoeabs.peaks (1.64, 9.36, 119.62 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLN 15 + H SER 12 OK 100 100 100 100 2.0-2.9 4014=99, 1.8/4013=73...(9) HB2 LEU 41 - H SER 12 far 0 83 0 - 7.2-8.9 HD3 LYS 42 - H SER 12 far 0 76 0 - 7.7-13.3 Violated in 0 structures by 0.00 A. Peak 4753 from nnoeabs.peaks (-0.27, 9.95, 128.50 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HE1 TRP 51 OK 94 95 100 99 2.5-3.7 4679/2.6=73...(12) HG2 ARG 55 + HE1 TRP 51 OK 89 90 100 99 3.7-4.1 3.0/4619=64, 4696/5.0=40...(12) HB3 ARG 55 - HE1 TRP 51 far 0 97 0 - 5.5-6.2 Violated in 0 structures by 0.00 A. Peak 4758 from nnoeabs.peaks (7.56, 8.94, 119.28 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.65: QE PHE 52 + H PHE 52 OK 65 65 100 100 4.2-4.6 2.2/747=95, 4.4/2605=63...(7) H TYR 57 - H PHE 52 far 0 99 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 4799 from nnoeabs.peaks (4.78, 8.14, 115.25 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.79: HB THR 44 + H THR 46 OK 79 100 100 79 2.6-3.0 207/209=37, 4800/700=37...(4) Violated in 0 structures by 0.00 A. Peak 4828 from nnoeabs.peaks (9.00, 8.73, 121.67 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.85: H SER 30 + H ARG 34 OK 85 85 100 100 3.2-3.7 4259=71, 4.4/4314=61...(10) Violated in 0 structures by 0.00 A. Peak 4852 from nnoeabs.peaks (1.69, 8.02, 117.69 ppm; 5.12 A increased from 4.55 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 39 + H ASN 40 OK 100 100 100 100 4.6-5.1 3.0/169=81, 3.0/170=79...(10) HD2 LYS 39 + H ASN 40 OK 100 100 100 100 4.6-5.0 3.0/169=81, 3.0/170=79...(10) HD2 LYS 42 - H ASN 40 far 0 68 0 - 5.6-8.1 HG2 LYS 22 - H ASN 40 far 0 83 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 4860 from nnoeabs.peaks (7.65, 7.64, 113.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 26 + HE22 GLN 26 OK 100 100 - 100 Peak 4861 from nnoeabs.peaks (8.98, 7.64, 113.37 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: H SER 30 + HE22 GLN 26 OK 100 100 100 100 4.1-4.9 4257=96, 3438/4191=83 H PHE 23 - HE22 GLN 26 far 0 96 0 - 6.5-9.3 Violated in 2 structures by 0.00 A. Peak 4889 from nnoeabs.peaks (0.85, 8.14, 122.19 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 68 + H LEU 68 OK 99 99 100 100 2.4-4.7 4.7=100 QD1 LEU 68 + H LEU 68 OK 97 97 100 100 2.2-4.5 4.7=100 QD2 LEU 64 - H LEU 68 far 10 100 10 - 3.9-11.9 Violated in 0 structures by 0.00 A. Peak 1068 from cnoeabs.peaks (4.69, 4.69, 56.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 1069 from cnoeabs.peaks (3.20, 4.69, 56.00 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 16 - HA HIS 10 far 0 73 0 - 6.6-11.0 Violated in 0 structures by 0.00 A. Peak 1070 from cnoeabs.peaks (3.11, 4.69, 56.00 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1071 from cnoeabs.peaks (7.07, 4.69, 56.00 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.1-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (4.69, 3.20, 30.63 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 11 - HB2 HIS 10 far 0 63 0 - 4.1-6.1 Violated in 0 structures by 0.00 A. Peak 1073 from cnoeabs.peaks (3.20, 3.20, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 HB3 HIS 36 + HB3 HIS 36 OK 75 75 - 100 HB2 HIS 36 + HB2 HIS 36 OK 75 75 - 100 Peak 1074 from cnoeabs.peaks (3.11, 3.20, 30.63 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (7.07, 3.20, 30.63 ppm; 4.19 A): 3 out of 3 assignments used, quality = 1.00: * HD2 HIS 10 + HB2 HIS 10 OK 100 100 100 100 3.0-4.0 3.9=100 HD2 HIS 36 + HB3 HIS 36 OK 63 63 100 100 2.7-2.9 4.0=100 HD2 HIS 36 + HB2 HIS 36 OK 63 63 100 100 3.2-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (4.69, 3.11, 30.63 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 11 - HB3 HIS 10 far 0 62 0 - 4.0-6.1 Violated in 0 structures by 0.00 A. Peak 1077 from cnoeabs.peaks (3.20, 3.11, 30.63 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 16 - HB3 HIS 10 far 0 73 0 - 7.4-11.1 HB2 HIS 13 - HB3 HIS 10 far 0 96 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 1078 from cnoeabs.peaks (3.11, 3.11, 30.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 1079 from cnoeabs.peaks (7.07, 3.11, 30.63 ppm; 4.48 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 1084 from cnoeabs.peaks (8.23, 4.66, 55.35 ppm; 4.63 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 3.0=100 Violated in 0 structures by 0.00 A. Peak 1085 from cnoeabs.peaks (4.66, 4.66, 55.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 Peak 1086 from cnoeabs.peaks (2.00, 4.66, 55.35 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 ARG 55 - HA MET 11 far 0 71 0 - 8.6-10.9 HB2 GLU 18 - HA MET 11 far 0 100 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (1.83, 4.66, 55.35 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLN 47 - HA MET 11 far 0 98 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. Peak 1088 from cnoeabs.peaks (2.39, 4.66, 55.35 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 100 100 2.2-3.7 3.8=100 HG3 GLN 47 - HA MET 11 far 0 89 0 - 7.0-8.7 HD2 ARG 55 - HA MET 11 far 0 81 0 - 9.5-12.0 HG3 GLU 18 - HA MET 11 far 0 81 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 1089 from cnoeabs.peaks (8.23, 2.00, 34.98 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 100 100 3.5-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (4.66, 2.00, 34.98 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.4-2.6 3.0=100 HA HIS 10 - HB2 MET 11 far 0 63 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (2.00, 2.00, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 1092 from cnoeabs.peaks (1.83, 2.00, 34.98 ppm; 2.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 47 - HB2 MET 11 far 0 98 0 - 6.3-7.7 HB ILE 17 - HB2 MET 11 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (2.39, 2.00, 34.98 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLU 18 - HB2 MET 11 far 0 81 0 - 7.6-10.0 HG3 GLN 47 - HB2 MET 11 far 0 89 0 - 7.7-9.4 HD2 ARG 55 - HB2 MET 11 far 0 81 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 1094 from cnoeabs.peaks (8.23, 1.83, 34.98 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HB3 MET 11 OK 100 100 100 100 2.2-3.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (4.66, 1.83, 34.98 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 3.0-3.0 3.0=100 HA HIS 10 - HB3 MET 11 far 0 63 0 - 4.4-6.0 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (2.00, 1.83, 34.98 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 55 - HB3 MET 11 far 0 71 0 - 6.2-8.3 HB2 GLU 18 - HB3 MET 11 far 0 100 0 - 7.1-9.4 HB3 GLU 18 - HB3 MET 11 far 0 100 0 - 8.6-11.1 Violated in 0 structures by 0.00 A. Peak 1097 from cnoeabs.peaks (1.83, 1.83, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 1098 from cnoeabs.peaks (2.39, 1.83, 34.98 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 55 - HB3 MET 11 far 0 81 0 - 7.4-9.3 HG3 GLN 47 - HB3 MET 11 far 0 89 0 - 7.6-9.2 HG3 GLU 18 - HB3 MET 11 far 0 81 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (4.66, 2.39, 32.80 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.92: * HA MET 11 + HG2 MET 11 OK 92 100 95 97 2.2-3.7 3.8=80, 4802/1.8=66...(5) HA HIS 10 - HG2 MET 11 far 0 63 0 - 5.0-7.4 HA THR 44 - HG2 MET 11 far 0 99 0 - 9.1-10.5 Violated in 1 structures by 0.01 A. Peak 1101 from cnoeabs.peaks (2.00, 2.39, 32.80 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 GLU 18 - HG2 MET 11 far 0 100 0 - 6.6-8.9 HD3 ARG 55 - HG2 MET 11 far 0 71 0 - 6.9-9.0 HB3 GLU 18 - HG2 MET 11 far 0 100 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 1102 from cnoeabs.peaks (1.83, 2.39, 32.80 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 47 - HG2 MET 11 far 0 98 0 - 4.0-5.5 HB ILE 17 - HG2 MET 11 far 0 100 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (2.48, 2.39, 32.80 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 15 - HG2 MET 11 far 10 100 10 - 2.3-3.9 HB2 GLN 15 - HG2 MET 11 far 0 83 0 - 4.8-5.8 HG2 GLU 20 - HG2 MET 11 far 0 81 0 - 8.6-11.6 HB2 ASN 54 - HG2 MET 11 far 0 98 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 1105 from cnoeabs.peaks (4.59, 4.59, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + HA SER 12 OK 100 100 - 100 Peak 1106 from cnoeabs.peaks (4.37, 4.59, 56.52 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + HA SER 12 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 13 - HA SER 12 lone 3 100 100 3 4.3-4.3 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (3.95, 4.59, 56.52 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + HA SER 12 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (9.36, 4.37, 65.53 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB2 SER 12 OK 100 100 100 100 2.3-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (4.59, 4.37, 65.53 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 12 + HB2 SER 12 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 29 - HA PRO 32 far 0 72 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1110 from cnoeabs.peaks (4.37, 4.37, 65.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + HB2 SER 12 OK 100 100 - 100 HA PRO 32 + HA PRO 32 OK 70 70 - 100 Peak 1111 from cnoeabs.peaks (3.95, 4.37, 65.53 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + HB2 SER 12 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1112 from cnoeabs.peaks (9.36, 3.95, 65.53 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB3 SER 12 OK 100 100 100 100 2.3-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 1113 from cnoeabs.peaks (4.59, 3.95, 65.53 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + HB3 SER 12 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1114 from cnoeabs.peaks (4.37, 3.95, 65.53 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + HB3 SER 12 OK 100 100 100 100 1.8-1.8 1.8=100 HA HIS 13 - HB3 SER 12 far 0 100 0 - 4.7-6.1 Violated in 0 structures by 0.00 A. Peak 1115 from cnoeabs.peaks (3.95, 3.95, 65.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + HB3 SER 12 OK 100 100 - 100 Peak 1116 from cnoeabs.peaks (4.38, 4.38, 59.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 13 + HA HIS 13 OK 100 100 - 100 Peak 1117 from cnoeabs.peaks (3.21, 4.38, 59.74 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 13 + HA HIS 13 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 HIS 10 - HA HIS 13 far 0 97 0 - 5.6-11.1 HA VAL 16 - HA HIS 13 far 0 95 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 1118 from cnoeabs.peaks (3.27, 4.38, 59.74 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 13 + HA HIS 13 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (4.38, 3.21, 29.61 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 13 + HB2 HIS 13 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 12 - HB2 HIS 13 far 0 100 0 - 4.2-6.0 Violated in 0 structures by 0.00 A. Peak 1121 from cnoeabs.peaks (3.21, 3.21, 29.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 13 + HB2 HIS 13 OK 100 100 - 100 Peak 1122 from cnoeabs.peaks (3.27, 3.21, 29.61 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 13 + HB2 HIS 13 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1123 from cnoeabs.peaks (7.13, 3.21, 29.61 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 13 + HB2 HIS 13 OK 100 100 100 100 2.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1124 from cnoeabs.peaks (4.38, 3.27, 29.61 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 13 + HB3 HIS 13 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 SER 12 - HB3 HIS 13 far 0 100 0 - 4.7-6.8 Violated in 0 structures by 0.00 A. Peak 1125 from cnoeabs.peaks (3.21, 3.27, 29.61 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 13 + HB3 HIS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 10 - HB3 HIS 13 far 0 97 0 - 7.0-13.2 HA VAL 16 - HB3 HIS 13 far 0 95 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 1126 from cnoeabs.peaks (3.27, 3.27, 29.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 13 + HB3 HIS 13 OK 100 100 - 100 Peak 1127 from cnoeabs.peaks (7.13, 3.27, 29.61 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 13 + HB3 HIS 13 OK 100 100 100 100 2.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1129 from cnoeabs.peaks (3.21, 7.13, 119.60 ppm; 4.73 A): 1 out of 4 assignments used, quality = 0.98: * HB2 HIS 13 + HD2 HIS 13 OK 98 98 100 100 2.8-3.9 4.0=100 HA VAL 16 - HD2 HIS 13 far 0 91 0 - 7.5-8.5 HB2 HIS 10 - HD2 HIS 13 far 0 93 0 - 9.3-15.0 HD3 ARG 21 - HD2 HIS 13 far 0 74 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1130 from cnoeabs.peaks (3.27, 7.13, 119.60 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.98: * HB3 HIS 13 + HD2 HIS 13 OK 98 98 100 100 2.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (7.13, 7.13, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HD2 HIS 13 + HD2 HIS 13 OK 98 98 - 100 Peak 1132 from cnoeabs.peaks (7.92, 3.81, 65.62 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HA THR 14 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (3.81, 3.81, 65.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 14 + HA THR 14 OK 100 100 - 100 Peak 1134 from cnoeabs.peaks (4.04, 3.81, 65.62 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 14 + HA THR 14 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1135 from cnoeabs.peaks (1.21, 3.81, 65.62 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + HA THR 14 OK 100 100 100 100 2.1-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1136 from cnoeabs.peaks (7.92, 4.04, 68.52 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HB THR 14 OK 100 100 100 100 2.5-2.9 504=100, 505/2.1=64...(5) Violated in 0 structures by 0.00 A. Peak 1137 from cnoeabs.peaks (3.81, 4.04, 68.52 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 14 + HB THR 14 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 15 - HB THR 14 far 0 85 0 - 3.9-4.3 Violated in 0 structures by 0.00 A. Peak 1138 from cnoeabs.peaks (4.04, 4.04, 68.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 14 + HB THR 14 OK 100 100 - 100 HB THR 46 + HB THR 46 OK 43 43 - 100 Peak 1139 from cnoeabs.peaks (1.21, 4.04, 68.52 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 14 + HB THR 14 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - HB THR 46 far 0 39 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 1140 from cnoeabs.peaks (7.92, 1.21, 21.82 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H THR 14 + QG2 THR 14 OK 100 100 100 100 3.7-3.8 4.0=100 H LYS 42 - QG2 THR 14 far 0 95 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (3.81, 1.21, 21.82 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 14 + QG2 THR 14 OK 99 100 100 99 2.1-2.4 3.2=94, 3.0/505=37...(8) HA GLN 15 - QG2 THR 14 far 0 85 0 - 3.5-4.2 Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (4.04, 1.21, 21.82 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 14 + QG2 THR 14 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 21 - QG2 THR 14 far 0 68 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (1.21, 1.21, 21.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + QG2 THR 14 OK 100 100 - 100 Peak 1144 from cnoeabs.peaks (7.51, 3.79, 59.35 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + HA GLN 15 OK 100 100 100 100 2.8-2.8 3.0=100 QE PHE 52 - HA GLN 15 far 0 78 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 1145 from cnoeabs.peaks (3.79, 3.79, 59.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 15 + HA GLN 15 OK 100 100 - 100 Peak 1146 from cnoeabs.peaks (2.50, 3.79, 59.35 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HA GLN 15 OK 100 100 100 100 2.4-2.5 2.9=100 HG3 GLN 15 + HA GLN 15 OK 84 85 100 99 2.9-3.5 3.8=74, 1.8/1148=46...(16) HG3 MET 11 - HA GLN 15 far 0 83 0 - 6.1-8.3 Violated in 0 structures by 0.00 A. Peak 1147 from cnoeabs.peaks (1.63, 3.79, 59.35 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HA GLN 15 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LEU 41 - HA GLN 15 far 0 90 0 - 5.3-6.2 HD3 LYS 42 - HA GLN 15 far 0 65 0 - 6.4-10.8 HG3 ARG 21 - HA GLN 15 far 0 60 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 1148 from cnoeabs.peaks (2.30, 3.79, 59.35 ppm; 3.63 A): 2 out of 2 assignments used, quality = 0.97: * HG2 GLN 15 + HA GLN 15 OK 95 100 95 100 2.3-3.8 3.8=87, 1.8/1177=69...(15) HG2 GLU 18 + HA GLN 15 OK 43 78 60 91 3.3-4.1 3.0/3672=52, 4096=44...(7) Violated in 0 structures by 0.00 A. Peak 1149 from cnoeabs.peaks (2.48, 3.79, 59.35 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + HA GLN 15 OK 99 100 100 99 2.9-3.5 1177=81, 1.8/1148=49...(16) HB2 GLN 15 + HA GLN 15 OK 85 85 100 100 2.4-2.5 2.9=100 HG3 MET 11 - HA GLN 15 far 0 100 0 - 6.1-8.3 HG2 GLU 20 - HA GLN 15 far 0 78 0 - 8.0-9.9 Violated in 0 structures by 0.00 A. Peak 1152 from cnoeabs.peaks (7.51, 2.50, 28.07 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HB2 GLN 15 OK 100 100 100 100 2.4-2.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (3.79, 2.50, 28.07 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HB2 GLN 15 OK 100 100 100 100 2.4-2.5 2.9=100 HA THR 14 - HB2 GLN 15 far 0 85 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (2.50, 2.50, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 15 + HB2 GLN 15 OK 100 100 - 100 Peak 1155 from cnoeabs.peaks (1.63, 2.50, 28.07 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 15 + HB2 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 41 - HB2 GLN 15 far 0 90 0 - 5.4-6.7 HD3 LYS 42 - HB2 GLN 15 far 0 65 0 - 5.6-10.1 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (2.30, 2.50, 28.07 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HB2 GLN 15 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 GLU 18 - HB2 GLN 15 far 0 78 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 1157 from cnoeabs.peaks (2.48, 2.50, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: HB2 GLN 15 + HB2 GLN 15 OK 85 85 - 100 Reference assignment not found: HG3 GLN 15 - HB2 GLN 15 Peak 1160 from cnoeabs.peaks (7.51, 1.63, 28.07 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.4-2.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1161 from cnoeabs.peaks (3.79, 1.63, 28.07 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HB3 GLN 15 OK 100 100 100 100 3.0-3.0 2.9=100 HA THR 14 - HB3 GLN 15 far 0 85 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 1162 from cnoeabs.peaks (2.50, 1.63, 28.07 ppm; 3.20 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HB3 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 15 + HB3 GLN 15 OK 85 85 100 100 2.3-2.5 3.0=100 HG3 MET 11 - HB3 GLN 15 far 0 83 0 - 4.2-5.7 Violated in 0 structures by 0.00 A. Peak 1163 from cnoeabs.peaks (1.63, 1.63, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 15 + HB3 GLN 15 OK 100 100 - 100 Peak 1164 from cnoeabs.peaks (2.30, 1.63, 28.07 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 18 - HB3 GLN 15 far 0 78 0 - 6.2-7.1 Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (2.48, 1.63, 28.07 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 GLN 15 + HB3 GLN 15 OK 85 85 100 100 1.8-1.8 1.8=100 HG3 MET 11 - HB3 GLN 15 far 0 100 0 - 4.2-5.7 HG2 GLU 20 - HB3 GLN 15 far 0 78 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 1168 from cnoeabs.peaks (7.51, 2.30, 35.21 ppm; 4.62 A increased from 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + HG2 GLN 15 OK 100 100 100 100 4.3-4.6 510=100, 508/3.0=88...(9) QE PHE 52 - HG2 GLN 15 far 0 78 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 1169 from cnoeabs.peaks (3.79, 2.30, 35.21 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.3-3.8 3.8=100 HA THR 14 - HG2 GLN 15 far 0 85 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 1170 from cnoeabs.peaks (2.50, 2.30, 35.21 ppm; 3.00 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 GLN 15 + HG2 GLN 15 OK 85 85 100 100 1.8-1.8 1.8=100 HG3 MET 11 - HG2 GLN 15 far 0 83 0 - 3.3-7.1 Violated in 0 structures by 0.00 A. Peak 1171 from cnoeabs.peaks (1.63, 2.30, 35.21 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 41 + HG2 GLN 15 OK 54 90 60 100 3.4-4.6 1.8/4024=63, 4442=47...(18) HD3 LYS 42 - HG2 GLN 15 far 0 65 0 - 6.0-9.6 HG3 ARG 21 - HG2 GLN 15 far 0 60 0 - 9.2-13.9 Violated in 0 structures by 0.00 A. Peak 1172 from cnoeabs.peaks (2.30, 2.30, 35.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HG2 GLN 15 OK 100 100 - 100 Peak 1173 from cnoeabs.peaks (2.48, 2.30, 35.21 ppm; 2.99 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + HG2 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 15 + HG2 GLN 15 OK 85 85 100 100 2.5-2.7 3.0=100 HG3 MET 11 - HG2 GLN 15 far 0 100 0 - 3.3-7.1 HG2 GLU 20 - HG2 GLN 15 far 0 78 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 1174 from cnoeabs.peaks (7.79, 2.30, 35.21 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.1-3.4 3.5=100 Violated in 0 structures by 0.00 A. Peak 1175 from cnoeabs.peaks (6.69, 2.30, 35.21 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 1176 from cnoeabs.peaks (7.51, 2.48, 35.21 ppm; 4.74 A increased from 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 15 + HG3 GLN 15 OK 100 100 100 100 4.4-4.6 508/3.0=90, 510/1.8=85...(11) QE PHE 52 - HG3 GLN 15 far 0 78 0 - 8.2-9.3 HD21 ASN 54 - HG3 GLN 15 far 0 83 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 1177 from cnoeabs.peaks (3.79, 2.48, 35.21 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HG3 GLN 15 OK 100 100 100 100 2.9-3.5 3.8=100 HA THR 14 - HG3 GLN 15 far 0 85 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 1178 from cnoeabs.peaks (2.50, 2.48, 35.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: HG3 GLN 15 + HG3 GLN 15 OK 85 85 - 100 Reference assignment not found: HB2 GLN 15 - HG3 GLN 15 Peak 1179 from cnoeabs.peaks (1.63, 2.48, 35.21 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HG3 GLN 15 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 LEU 41 - HG3 GLN 15 far 0 90 0 - 4.3-5.2 HD3 LYS 42 - HG3 GLN 15 far 0 65 0 - 7.4-11.0 HG3 ARG 21 - HG3 GLN 15 far 0 60 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (2.30, 2.48, 35.21 ppm; 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HG3 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 18 - HG3 GLN 15 far 0 78 0 - 5.1-6.9 Violated in 0 structures by 0.00 A. Peak 1181 from cnoeabs.peaks (2.48, 2.48, 35.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 15 + HG3 GLN 15 OK 100 100 - 100 Peak 1182 from cnoeabs.peaks (7.79, 2.48, 35.21 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HG3 GLN 15 OK 100 100 100 100 2.8-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1183 from cnoeabs.peaks (6.69, 2.48, 35.21 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HG3 GLN 15 OK 100 100 100 100 3.2-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1184 from cnoeabs.peaks (7.83, 3.23, 67.30 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HA VAL 16 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (3.23, 3.23, 67.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 16 + HA VAL 16 OK 100 100 - 100 Peak 1186 from cnoeabs.peaks (2.07, 3.23, 67.30 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 16 + HA VAL 16 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 22 - HA VAL 16 far 0 87 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 1187 from cnoeabs.peaks (1.01, 3.23, 67.30 ppm; 3.22 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 16 + HA VAL 16 OK 100 100 100 100 2.3-2.4 3.2=100 QG1 VAL 16 + HA VAL 16 OK 83 83 100 100 2.3-2.4 3.2=100 QG1 VAL 48 - HA VAL 16 far 0 90 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 1188 from cnoeabs.peaks (1.03, 3.23, 67.30 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 16 + HA VAL 16 OK 99 100 100 99 2.3-2.4 3.2=88, 1199/3.0=35...(14) QG2 VAL 16 + HA VAL 16 OK 81 83 100 98 2.3-2.4 3.2=88, 518/3.0=51...(9) Violated in 0 structures by 0.00 A. Peak 1189 from cnoeabs.peaks (7.83, 2.07, 31.49 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HB VAL 16 OK 100 100 100 100 2.5-2.6 516=100, 518/2.1=71...(7) Violated in 0 structures by 0.00 A. Peak 1190 from cnoeabs.peaks (3.23, 2.07, 31.49 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + HB VAL 16 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 HIS 10 - HB VAL 16 far 0 73 0 - 5.5-11.3 HB2 HIS 13 - HB VAL 16 far 0 95 0 - 6.0-6.1 HD3 ARG 21 - HB VAL 16 far 0 98 0 - 8.2-11.0 HD2 ARG 21 - HB VAL 16 far 0 71 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 1191 from cnoeabs.peaks (2.07, 2.07, 31.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 16 + HB VAL 16 OK 100 100 - 100 Peak 1192 from cnoeabs.peaks (1.01, 2.07, 31.49 ppm; 2.89 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 16 + HB VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 16 + HB VAL 16 OK 83 83 100 100 2.1-2.1 2.1=100 QG1 VAL 48 - HB VAL 16 far 0 90 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1193 from cnoeabs.peaks (1.03, 2.07, 31.49 ppm; 2.72 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 16 + HB VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 16 + HB VAL 16 OK 83 83 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1194 from cnoeabs.peaks (7.83, 1.01, 23.28 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 16 + QG2 VAL 16 OK 100 100 100 100 2.0-2.3 517=100, 516/2.1=64...(13) H VAL 16 - QG1 VAL 48 far 0 51 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1195 from cnoeabs.peaks (3.23, 1.01, 23.28 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HA VAL 16 + QG2 VAL 16 OK 100 100 100 100 2.3-2.4 3.2=100 HB2 HIS 10 - QG2 VAL 16 far 4 73 5 - 2.9-7.6 HB2 HIS 13 - QG2 VAL 16 far 0 95 0 - 5.2-5.7 HA VAL 16 - QG1 VAL 48 far 0 51 0 - 6.9-7.7 HD3 ARG 21 - QG2 VAL 16 far 0 98 0 - 8.5-10.7 HB2 HIS 10 - QG1 VAL 48 far 0 31 0 - 8.8-13.5 HD2 ARG 21 - QG2 VAL 16 far 0 71 0 - 9.2-10.9 HD2 ARG 21 - QG1 VAL 48 far 0 30 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (2.07, 1.01, 23.28 ppm; 3.11 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 16 + QG2 VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 GLU 45 - QG1 VAL 48 far 0 51 0 - 5.0-6.0 HB2 LYS 22 - QG1 VAL 48 far 0 39 0 - 5.4-6.5 HB2 GLU 45 - QG1 VAL 48 far 0 23 0 - 5.7-6.3 HB3 GLU 45 - QG1 VAL 48 far 0 26 0 - 6.5-7.1 HB2 GLU 67 - QG2 VAL 16 far 0 96 0 - 8.5-32.4 HB2 LYS 22 - QG2 VAL 16 far 0 87 0 - 9.0-10.2 HB VAL 16 - QG1 VAL 48 far 0 51 0 - 9.4-10.2 HG3 PRO 32 - QG1 VAL 48 far 0 31 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 1197 from cnoeabs.peaks (1.01, 1.01, 23.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 16 + QG2 VAL 16 OK 100 100 - 100 QG1 VAL 48 + QG1 VAL 48 OK 41 41 - 100 Peak 1198 from cnoeabs.peaks (1.03, 1.01, 23.28 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 16 + QG2 VAL 16 OK 83 83 - 100 Reference assignment not found: QG1 VAL 16 - QG2 VAL 16 Peak 1199 from cnoeabs.peaks (7.83, 1.03, 21.88 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + QG1 VAL 16 OK 100 100 100 100 3.8-3.8 4.0=96, 518/2.1=92...(8) Violated in 0 structures by 0.00 A. Peak 1200 from cnoeabs.peaks (3.23, 1.03, 21.88 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + QG1 VAL 16 OK 100 100 100 100 2.3-2.4 3.2=100 HB2 HIS 10 - QG1 VAL 16 far 0 73 0 - 4.7-9.8 HD3 ARG 21 - QG1 VAL 16 far 0 98 0 - 6.7-9.3 HB2 HIS 13 - QG1 VAL 16 far 0 95 0 - 6.8-7.1 HD2 ARG 21 - QG1 VAL 16 far 0 71 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 1201 from cnoeabs.peaks (2.07, 1.03, 21.88 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 16 + QG1 VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 67 - QG1 VAL 16 far 0 96 0 - 6.9-30.3 HB2 LYS 22 - QG1 VAL 16 far 0 87 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 1202 from cnoeabs.peaks (1.01, 1.03, 21.88 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG1 VAL 16 + QG1 VAL 16 OK 83 83 - 100 Reference assignment not found: QG2 VAL 16 - QG1 VAL 16 Peak 1203 from cnoeabs.peaks (1.03, 1.03, 21.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 16 + QG1 VAL 16 OK 100 100 - 100 Peak 1204 from cnoeabs.peaks (8.01, 3.69, 64.32 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HA ILE 17 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 19 - HA ILE 17 far 0 68 0 - 4.0-4.4 H LYS 22 - HA ILE 17 far 0 83 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 1205 from cnoeabs.peaks (3.69, 3.69, 64.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HA ILE 17 OK 100 100 - 100 Peak 1206 from cnoeabs.peaks (1.84, 3.69, 64.32 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 17 + HA ILE 17 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 21 - HA ILE 17 far 0 81 0 - 4.2-6.6 HD2 LYS 22 - HA ILE 17 far 0 85 0 - 7.8-11.2 HB3 MET 11 - HA ILE 17 far 0 100 0 - 8.5-9.9 HG LEU 41 - HA ILE 17 far 0 60 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1207 from cnoeabs.peaks (0.81, 3.69, 64.32 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HA ILE 17 OK 100 100 100 100 2.3-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1208 from cnoeabs.peaks (1.08, 3.69, 64.32 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HA ILE 17 OK 100 100 100 100 2.8-3.1 1226=98, 1.8/1233=70...(14) Violated in 0 structures by 0.00 A. Peak 1209 from cnoeabs.peaks (1.38, 3.69, 64.32 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HA ILE 17 OK 100 100 100 100 2.5-2.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (0.70, 3.69, 64.32 ppm; 4.02 A increased from 3.78 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HA ILE 17 OK 100 100 100 100 3.8-3.9 1240=94, 2.1/1208=80...(15) HB2 LEU 19 - HA ILE 17 far 0 98 0 - 4.9-5.2 QD1 LEU 41 - HA ILE 17 far 0 85 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 1211 from cnoeabs.peaks (8.01, 1.84, 37.27 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HB ILE 17 OK 100 100 100 100 2.5-2.6 521=100, 522/2.1=49...(13) H LEU 19 - HB ILE 17 far 0 68 0 - 4.8-5.1 H LYS 22 - HB ILE 17 far 0 83 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 1212 from cnoeabs.peaks (3.69, 1.84, 37.27 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HB ILE 17 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1213 from cnoeabs.peaks (1.84, 1.84, 37.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + HB ILE 17 OK 100 100 - 100 Peak 1214 from cnoeabs.peaks (0.81, 1.84, 37.27 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HB ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1215 from cnoeabs.peaks (1.08, 1.84, 37.27 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HB ILE 17 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1216 from cnoeabs.peaks (1.38, 1.84, 37.27 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HB ILE 17 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1217 from cnoeabs.peaks (0.70, 1.84, 37.27 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HB ILE 17 OK 100 100 100 100 2.2-2.4 3.2=100 QD1 LEU 41 - HB ILE 17 far 0 85 0 - 6.0-6.7 HB2 LEU 19 - HB ILE 17 far 0 98 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 1218 from cnoeabs.peaks (8.01, 0.81, 17.21 ppm; 3.93 A increased from 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + QG2 ILE 17 OK 100 100 100 100 3.8-3.8 522=100, 521/2.1=91...(13) H LEU 19 - QG2 ILE 17 far 0 68 0 - 4.7-4.9 H LYS 22 - QG2 ILE 17 far 0 83 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 1219 from cnoeabs.peaks (3.69, 0.81, 17.21 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + QG2 ILE 17 OK 100 100 100 100 2.3-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (1.84, 0.81, 17.21 ppm; 2.91 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 17 + QG2 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 21 + QG2 ILE 17 OK 44 81 70 79 2.5-4.3 2.9/4137=25, 2.9/4136=23...(7) HD2 LYS 22 - QG2 ILE 17 far 0 85 0 - 6.8-9.3 HG LEU 41 - QG2 ILE 17 far 0 60 0 - 8.6-9.2 HB3 MET 11 - QG2 ILE 17 far 0 100 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 1221 from cnoeabs.peaks (0.81, 0.81, 17.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + QG2 ILE 17 OK 100 100 - 100 Peak 1222 from cnoeabs.peaks (1.08, 0.81, 17.21 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + QG2 ILE 17 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 1223 from cnoeabs.peaks (1.38, 0.81, 17.21 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + QG2 ILE 17 OK 100 100 100 100 2.2-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1224 from cnoeabs.peaks (0.70, 0.81, 17.21 ppm; 2.97 A): 1 out of 3 assignments used, quality = 0.96: * QD1 ILE 17 + QG2 ILE 17 OK 96 100 100 96 1.9-2.3 3.3=77, 1210/3.2=30...(9) QD1 LEU 41 - QG2 ILE 17 far 0 85 0 - 6.1-6.6 HB2 LEU 19 - QG2 ILE 17 far 0 98 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 1225 from cnoeabs.peaks (8.01, 1.08, 28.44 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HG12 ILE 17 OK 100 100 100 100 1.9-2.2 523=100, 524/1.8=78...(11) H LEU 19 - HG12 ILE 17 far 0 68 0 - 5.7-6.1 H LYS 22 - HG12 ILE 17 far 0 83 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 1226 from cnoeabs.peaks (3.69, 1.08, 28.44 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HG12 ILE 17 OK 100 100 100 100 2.8-3.1 1208=100, 1233/1.8=71...(14) Violated in 0 structures by 0.00 A. Peak 1227 from cnoeabs.peaks (1.84, 1.08, 28.44 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 17 + HG12 ILE 17 OK 100 100 100 100 2.4-2.6 3.0=100 HG2 ARG 21 - HG12 ILE 17 far 0 81 0 - 6.5-8.6 HB3 MET 11 - HG12 ILE 17 far 0 100 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 1228 from cnoeabs.peaks (0.81, 1.08, 28.44 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HG12 ILE 17 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 1229 from cnoeabs.peaks (1.08, 1.08, 28.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HG12 ILE 17 OK 100 100 - 100 Peak 1230 from cnoeabs.peaks (1.38, 1.08, 28.44 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HG12 ILE 17 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (0.70, 1.08, 28.44 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HG12 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 19 - HG12 ILE 17 far 0 98 0 - 6.8-7.1 QD1 LEU 41 - HG12 ILE 17 far 0 85 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 1232 from cnoeabs.peaks (8.01, 1.38, 28.44 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HG13 ILE 17 OK 100 100 100 100 3.1-3.4 524=100, 523/1.8=77...(12) H LEU 19 - HG13 ILE 17 far 0 68 0 - 6.3-6.6 H LYS 22 - HG13 ILE 17 far 0 83 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1233 from cnoeabs.peaks (3.69, 1.38, 28.44 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HG13 ILE 17 OK 100 100 100 100 2.5-2.7 3.8=97, 1208/1.8=77...(14) Violated in 0 structures by 0.00 A. Peak 1234 from cnoeabs.peaks (1.84, 1.38, 28.44 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 17 + HG13 ILE 17 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 21 - HG13 ILE 17 far 0 81 0 - 5.7-8.0 HB3 MET 11 - HG13 ILE 17 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 1235 from cnoeabs.peaks (0.81, 1.38, 28.44 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HG13 ILE 17 OK 100 100 100 100 2.2-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1236 from cnoeabs.peaks (1.08, 1.38, 28.44 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HG13 ILE 17 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1237 from cnoeabs.peaks (1.38, 1.38, 28.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HG13 ILE 17 OK 100 100 - 100 Peak 1238 from cnoeabs.peaks (0.70, 1.38, 28.44 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HG13 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 19 - HG13 ILE 17 far 0 98 0 - 7.3-7.7 QD1 LEU 41 - HG13 ILE 17 far 0 85 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 1239 from cnoeabs.peaks (8.01, 0.70, 12.32 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + QD1 ILE 17 OK 100 100 100 100 3.3-3.6 525=100, 523/2.1=89...(13) H LEU 19 - QD1 ILE 17 far 0 68 0 - 6.2-6.5 H LYS 22 - QD1 ILE 17 far 0 83 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (3.69, 0.70, 12.32 ppm; 4.10 A increased from 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + QD1 ILE 17 OK 100 100 100 100 3.8-3.9 1210=100, 1208/2.1=82...(15) Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (1.84, 0.70, 12.32 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 17 + QD1 ILE 17 OK 100 100 100 100 2.2-2.4 3.2=100 HG2 ARG 21 - QD1 ILE 17 far 0 81 0 - 5.6-7.0 HB3 MET 11 - QD1 ILE 17 far 0 100 0 - 8.3-9.3 HD2 LYS 22 - QD1 ILE 17 far 0 85 0 - 9.3-12.1 HG LEU 41 - QD1 ILE 17 far 0 60 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 1242 from cnoeabs.peaks (0.81, 0.70, 12.32 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + QD1 ILE 17 OK 100 100 100 100 1.9-2.3 3.3=100 Violated in 0 structures by 0.00 A. Peak 1243 from cnoeabs.peaks (1.08, 0.70, 12.32 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + QD1 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1244 from cnoeabs.peaks (1.38, 0.70, 12.32 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + QD1 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1245 from cnoeabs.peaks (0.70, 0.70, 12.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 17 + QD1 ILE 17 OK 100 100 - 100 Peak 1246 from cnoeabs.peaks (7.55, 4.19, 58.41 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HA GLU 18 OK 100 100 100 100 2.8-2.8 3.0=100 QE PHE 52 - HA GLU 18 far 0 76 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 1247 from cnoeabs.peaks (4.19, 4.19, 58.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 18 + HA GLU 18 OK 100 100 - 100 Peak 1248 from cnoeabs.peaks (2.00, 4.19, 58.41 ppm; 2.83 A): 1 out of 5 assignments used, quality = 0.97: HB3 GLU 18 + HA GLU 18 OK 97 100 100 97 2.4-2.7 3.0=84, 3.0/1251=32...(14) ! HB2 GLU 18 - HA GLU 18 far 0 100 0 - 3.0-3.0 HB2 ARG 21 - HA GLU 18 far 0 60 0 - 3.1-3.5 HB3 ARG 21 - HA GLU 18 far 0 68 0 - 4.6-5.0 HB2 MET 11 - HA GLU 18 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1249 from cnoeabs.peaks (2.00, 4.19, 58.41 ppm; 2.83 A): 1 out of 5 assignments used, quality = 0.97: * HB3 GLU 18 + HA GLU 18 OK 97 100 100 97 2.4-2.7 3.0=84, 3.0/1251=32...(14) HB2 GLU 18 - HA GLU 18 far 0 100 0 - 3.0-3.0 HB2 ARG 21 - HA GLU 18 far 0 60 0 - 3.1-3.5 HB3 ARG 21 - HA GLU 18 far 0 68 0 - 4.6-5.0 HB2 MET 11 - HA GLU 18 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1250 from cnoeabs.peaks (2.28, 4.19, 58.41 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 18 + HA GLU 18 OK 100 100 100 100 3.4-3.8 3.9=100 HG2 GLN 15 - HA GLU 18 far 0 78 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (2.41, 4.19, 58.41 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 18 + HA GLU 18 OK 100 100 100 100 2.3-3.4 3.9=89, 3.0/1249=72...(14) HG3 GLU 20 - HA GLU 18 far 0 90 0 - 6.1-6.6 HB3 LYS 22 - HA GLU 18 far 0 65 0 - 6.6-7.7 HG2 MET 11 - HA GLU 18 far 0 81 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1252 from cnoeabs.peaks (7.55, 2.00, 29.57 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.2-2.7 529=100, 531/3.0=54...(14) H GLU 18 + HB3 GLU 18 OK 100 100 100 100 3.5-3.6 529/1.8=80, 3.9=72...(11) HE21 GLN 63 - HB3 GLN 63 poor 17 68 25 - 2.6-4.6 H TYR 57 - HB3 GLN 63 far 0 82 0 - 6.6-17.2 QE PHE 52 - HB3 GLU 18 far 0 76 0 - 7.3-8.4 QE PHE 52 - HB2 GLU 18 far 0 76 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 1253 from cnoeabs.peaks (4.19, 2.00, 29.57 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.4-2.7 3.0=100 * HA GLU 18 + HB2 GLU 18 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 20 - HB2 GLU 18 far 0 65 0 - 7.6-7.9 HA GLU 20 - HB3 GLU 18 far 0 65 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 1254 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 * HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Peak 1255 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Reference assignment not found: HB3 GLU 18 - HB2 GLU 18 Peak 1256 from cnoeabs.peaks (2.28, 2.00, 29.57 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 15 - HB2 GLU 18 far 0 78 0 - 3.7-5.9 HG2 GLN 15 - HB3 GLU 18 far 0 78 0 - 5.0-7.4 HG2 GLU 67 - HB3 GLN 63 far 0 89 0 - 6.5-14.6 Violated in 0 structures by 0.00 A. Peak 1257 from cnoeabs.peaks (2.41, 2.00, 29.57 ppm; 3.32 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LYS 22 - HB3 GLU 18 far 0 65 0 - 6.5-7.7 HG2 MET 11 - HB2 GLU 18 far 0 81 0 - 6.6-8.9 HG3 GLU 20 - HB2 GLU 18 far 0 90 0 - 6.7-7.3 HB3 LYS 22 - HB2 GLU 18 far 0 65 0 - 7.2-8.4 HG3 GLU 20 - HB3 GLU 18 far 0 90 0 - 7.4-8.2 HG2 MET 11 - HB3 GLU 18 far 0 81 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 1258 from cnoeabs.peaks (7.55, 2.00, 29.57 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: H GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.2-2.7 529=100, 531/3.0=54...(14) * H GLU 18 + HB3 GLU 18 OK 100 100 100 100 3.5-3.6 529/1.8=80, 3.9=72...(11) HE21 GLN 63 - HB3 GLN 63 poor 17 68 25 - 2.6-4.6 H TYR 57 - HB3 GLN 63 far 0 82 0 - 6.6-17.2 QE PHE 52 - HB3 GLU 18 far 0 76 0 - 7.3-8.4 QE PHE 52 - HB2 GLU 18 far 0 76 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 1259 from cnoeabs.peaks (4.19, 2.00, 29.57 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 18 + HB2 GLU 18 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 20 - HB2 GLU 18 far 0 65 0 - 7.6-7.9 HA GLU 20 - HB3 GLU 18 far 0 65 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 1260 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Reference assignment not found: HB2 GLU 18 - HB3 GLU 18 Peak 1261 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Peak 1262 from cnoeabs.peaks (2.28, 2.00, 29.57 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.3-2.5 3.0=100 * HG2 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 15 - HB2 GLU 18 far 0 78 0 - 3.7-5.9 HG2 GLN 15 - HB3 GLU 18 far 0 78 0 - 5.0-7.4 HG2 GLU 67 - HB3 GLN 63 far 0 89 0 - 6.5-14.6 Violated in 0 structures by 0.00 A. Peak 1263 from cnoeabs.peaks (2.41, 2.00, 29.57 ppm; 3.32 A): 2 out of 8 assignments used, quality = 1.00: HG3 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 * HG3 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LYS 22 - HB3 GLU 18 far 0 65 0 - 6.5-7.7 HG2 MET 11 - HB2 GLU 18 far 0 81 0 - 6.6-8.9 HG3 GLU 20 - HB2 GLU 18 far 0 90 0 - 6.7-7.3 HB3 LYS 22 - HB2 GLU 18 far 0 65 0 - 7.2-8.4 HG3 GLU 20 - HB3 GLU 18 far 0 90 0 - 7.4-8.2 HG2 MET 11 - HB3 GLU 18 far 0 81 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 1264 from cnoeabs.peaks (7.55, 2.28, 35.25 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.5-4.0 530=100, 531/1.8=89...(13) QE PHE 52 - HG2 GLU 18 far 0 76 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1265 from cnoeabs.peaks (4.19, 2.28, 35.25 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 18 + HG2 GLU 18 OK 100 100 100 100 3.4-3.8 3.9=100 HA GLU 20 - HG2 GLU 18 far 0 65 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (2.00, 2.28, 35.25 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 - HG2 GLU 18 far 0 60 0 - 6.5-7.1 HB2 MET 11 - HG2 GLU 18 far 0 100 0 - 7.9-9.3 HB3 ARG 21 - HG2 GLU 18 far 0 68 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (2.00, 2.28, 35.25 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.3-2.5 3.0=100 * HB3 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 - HG2 GLU 18 far 0 60 0 - 6.5-7.1 HB2 MET 11 - HG2 GLU 18 far 0 100 0 - 7.9-9.3 HB3 ARG 21 - HG2 GLU 18 far 0 68 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (2.28, 2.28, 35.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 18 + HG2 GLU 18 OK 100 100 - 100 Peak 1269 from cnoeabs.peaks (2.41, 2.28, 35.25 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 18 + HG2 GLU 18 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 20 - HG2 GLU 18 far 0 90 0 - 8.0-9.0 HG2 MET 11 - HG2 GLU 18 far 0 81 0 - 8.1-10.4 HB3 LYS 22 - HG2 GLU 18 far 0 65 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (7.55, 2.41, 35.25 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.0-3.0 531=100, 530/1.8=71...(16) H GLU 18 - HG3 GLU 20 far 0 66 0 - 5.1-5.7 QE PHE 52 - HG3 GLU 20 far 0 43 0 - 7.5-9.0 QE PHE 52 - HG3 GLU 18 far 0 76 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1271 from cnoeabs.peaks (4.19, 2.41, 35.25 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.3-3.4 3.9=100 HA GLU 20 + HG3 GLU 20 OK 36 36 100 100 3.1-3.8 4.1=97, 3.0/544=58...(12) HA GLU 18 - HG3 GLU 20 far 0 66 0 - 6.1-6.6 HA GLU 20 - HG3 GLU 18 far 0 65 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 1272 from cnoeabs.peaks (2.00, 2.41, 35.25 ppm; 3.30 A): 2 out of 12 assignments used, quality = 1.00: * HB2 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 ARG 21 - HG3 GLU 18 far 0 60 0 - 5.2-6.9 HD3 ARG 55 - HG3 GLU 20 far 0 41 0 - 5.9-7.8 HB3 ARG 21 - HG3 GLU 18 far 0 68 0 - 6.5-8.2 HB2 ARG 21 - HG3 GLU 20 far 0 33 0 - 6.5-7.1 HB2 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.7-7.3 HB3 GLU 18 - HG3 GLU 20 far 0 66 0 - 7.4-8.2 HB2 MET 11 - HG3 GLU 18 far 0 100 0 - 7.6-10.0 HB2 MET 11 - HG3 GLN 47 far 0 60 0 - 7.7-9.4 HB3 ARG 21 - HG3 GLU 20 far 0 38 0 - 7.9-8.1 HB2 MET 11 - HG3 GLU 20 far 0 66 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (2.00, 2.41, 35.25 ppm; 3.30 A): 2 out of 12 assignments used, quality = 1.00: HB2 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 * HB3 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 ARG 21 - HG3 GLU 18 far 0 60 0 - 5.2-6.9 HD3 ARG 55 - HG3 GLU 20 far 0 41 0 - 5.9-7.8 HB3 ARG 21 - HG3 GLU 18 far 0 68 0 - 6.5-8.2 HB2 ARG 21 - HG3 GLU 20 far 0 33 0 - 6.5-7.1 HB2 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.7-7.3 HB3 GLU 18 - HG3 GLU 20 far 0 66 0 - 7.4-8.2 HB2 MET 11 - HG3 GLU 18 far 0 100 0 - 7.6-10.0 HB2 MET 11 - HG3 GLN 47 far 0 60 0 - 7.7-9.4 HB3 ARG 21 - HG3 GLU 20 far 0 38 0 - 7.9-8.1 HB2 MET 11 - HG3 GLU 20 far 0 66 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 1274 from cnoeabs.peaks (2.28, 2.41, 35.25 ppm; 2.72 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 18 + HG3 GLU 18 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 15 - HG3 GLU 18 far 0 78 0 - 4.5-7.4 HG2 GLU 18 - HG3 GLU 20 far 0 66 0 - 8.0-9.0 HG2 GLN 15 - HG3 GLU 20 far 0 45 0 - 8.3-10.2 HG2 GLN 15 - HG3 GLN 47 far 0 40 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (2.41, 2.41, 35.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 18 + HG3 GLU 18 OK 100 100 - 100 HG3 GLN 47 + HG3 GLN 47 OK 59 59 - 100 HG3 GLU 20 + HG3 GLU 20 OK 54 54 - 100 Peak 1276 from cnoeabs.peaks (7.98, 3.64, 58.54 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA LEU 19 OK 100 100 100 100 2.8-2.9 2.9=100 H ILE 17 - HA LEU 19 far 0 68 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 1277 from cnoeabs.peaks (3.64, 3.64, 58.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + HA LEU 19 OK 100 100 - 100 Peak 1278 from cnoeabs.peaks (0.71, 3.64, 58.54 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HA LEU 19 OK 100 100 100 100 3.0-3.0 3.0=100 QD1 LEU 41 + HA LEU 19 OK 90 97 100 92 3.2-3.8 4816/1281=54...(7) QD1 ILE 17 - HA LEU 19 far 0 98 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 1279 from cnoeabs.peaks (-0.76, 3.64, 58.54 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HA LEU 19 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (1.24, 3.64, 58.54 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 19 + HA LEU 19 OK 100 100 100 100 2.7-2.9 3.7=100 HB2 LEU 43 - HA LEU 19 far 0 92 0 - 8.5-8.9 HB2 LEU 29 - HA LEU 19 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (0.53, 3.64, 58.54 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.97: * QD2 LEU 19 + HA LEU 19 OK 97 100 100 97 2.1-2.6 1305=73, 537/2.9=35...(11) Violated in 0 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (-0.28, 3.64, 58.54 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HA LEU 19 OK 100 100 100 100 3.8-3.9 4.0=100 HG2 ARG 55 - HA LEU 19 far 0 100 0 - 7.2-8.1 HB3 ARG 55 - HA LEU 19 far 0 100 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 1283 from cnoeabs.peaks (7.98, 0.71, 37.72 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.2-2.5 4.0=100 H ILE 17 - HB2 LEU 19 far 0 68 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 1284 from cnoeabs.peaks (3.64, 0.71, 37.72 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 19 + HB2 LEU 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 48 - HB2 LEU 19 far 0 97 0 - 6.2-7.1 HA ALA 38 - HB2 LEU 19 far 0 65 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 1285 from cnoeabs.peaks (0.71, 0.71, 37.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + HB2 LEU 19 OK 100 100 - 100 Peak 1286 from cnoeabs.peaks (-0.76, 0.71, 37.72 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HB2 LEU 19 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (1.24, 0.71, 37.72 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 LEU 43 - HB2 LEU 19 far 0 92 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 1288 from cnoeabs.peaks (0.53, 0.71, 37.72 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + HB2 LEU 19 OK 100 100 100 100 3.1-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (-0.28, 0.71, 37.72 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.0-2.3 3.1=100 HG2 ARG 55 - HB2 LEU 19 far 0 100 0 - 5.2-6.3 HB3 ARG 55 - HB2 LEU 19 far 0 100 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (3.64, -0.76, 37.72 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 19 + HB3 LEU 19 OK 100 100 100 100 2.4-2.6 3.0=100 HA VAL 48 - HB3 LEU 19 far 0 97 0 - 5.4-6.1 HA ALA 38 - HB3 LEU 19 far 0 65 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 1292 from cnoeabs.peaks (0.71, -0.76, 37.72 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HB3 LEU 19 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 41 - HB3 LEU 19 far 15 97 15 - 4.1-4.8 QD1 ILE 17 - HB3 LEU 19 far 0 98 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 1293 from cnoeabs.peaks (-0.76, -0.76, 37.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HB3 LEU 19 OK 100 100 - 100 Peak 1294 from cnoeabs.peaks (1.24, -0.76, 37.72 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 19 + HB3 LEU 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 43 - HB3 LEU 19 far 0 92 0 - 8.4-8.9 HB2 LEU 29 - HB3 LEU 19 far 0 100 0 - 9.3-10.2 HD2 LYS 27 - HB3 LEU 19 far 0 97 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (0.53, -0.76, 37.72 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + HB3 LEU 19 OK 100 100 100 100 2.1-2.3 3.1=100 Violated in 0 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (-0.28, -0.76, 37.72 ppm; 5.45 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HB3 LEU 19 OK 100 100 100 100 2.4-2.7 3.1=100 HG2 ARG 55 + HB3 LEU 19 OK 68 100 90 76 5.0-5.7 ~4704=45, ~4771=38...(4) HB3 ARG 55 - HB3 LEU 19 far 0 100 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. Peak 1297 from cnoeabs.peaks (7.98, 1.24, 25.70 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + HG LEU 19 OK 100 100 100 100 2.2-2.9 536=100, 537/2.1=60...(11) H ILE 17 - HG LEU 19 far 0 68 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (3.64, 1.24, 25.70 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 19 + HG LEU 19 OK 100 100 100 100 2.7-2.9 3.7=100 HA VAL 48 - HG LEU 19 far 0 97 0 - 5.3-6.5 HA ALA 38 - HG LEU 19 far 0 65 0 - 5.6-6.7 HA GLU 45 - HG LEU 19 far 0 100 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (0.71, 1.24, 25.70 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HG LEU 19 OK 100 100 100 100 2.5-2.7 3.0=100 QD1 LEU 41 + HG LEU 19 OK 89 97 100 91 2.0-2.6 4816/2.1=60, 4817/2.1=35...(8) QD1 ILE 17 - HG LEU 19 far 0 98 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 1300 from cnoeabs.peaks (-0.76, 1.24, 25.70 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HG LEU 19 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1301 from cnoeabs.peaks (1.24, 1.24, 25.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + HG LEU 19 OK 100 100 - 100 Peak 1302 from cnoeabs.peaks (0.53, 1.24, 25.70 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + HG LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (-0.28, 1.24, 25.70 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HG LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 55 - HG LEU 19 far 0 100 0 - 7.6-8.4 HB3 ARG 55 - HG LEU 19 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 1304 from cnoeabs.peaks (7.98, 0.53, 23.51 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 19 + QD2 LEU 19 OK 100 100 100 100 3.7-4.0 537=100, 536/2.1=90...(7) H ILE 17 - QD2 LEU 19 far 0 68 0 - 6.6-7.1 H HIS 36 - QD2 LEU 19 far 0 99 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (3.64, 0.53, 23.51 ppm; 3.03 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 19 + QD2 LEU 19 OK 99 100 100 99 2.1-2.6 1281=95, 2.9/537=33...(11) HA VAL 48 + QD2 LEU 19 OK 37 97 45 85 2.7-3.6 3.2/4825=40, 4579=23...(9) HA ALA 38 - QD2 LEU 19 far 0 65 0 - 4.0-4.6 HA GLU 45 - QD2 LEU 19 far 0 100 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 1306 from cnoeabs.peaks (0.71, 0.53, 23.51 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + QD2 LEU 19 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 LEU 41 + QD2 LEU 19 OK 95 97 100 97 1.9-2.6 4816=61, 4377/4378=39...(13) QD1 ILE 17 - QD2 LEU 19 far 0 98 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 1307 from cnoeabs.peaks (-0.76, 0.53, 23.51 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + QD2 LEU 19 OK 100 100 100 100 2.1-2.3 3.1=100 Violated in 0 structures by 0.00 A. Peak 1308 from cnoeabs.peaks (1.24, 0.53, 23.51 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 19 + QD2 LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - QD2 LEU 19 far 0 92 0 - 4.6-5.2 HB2 LEU 29 - QD2 LEU 19 far 0 100 0 - 6.8-7.6 QG2 THR 46 - QD2 LEU 19 far 0 97 0 - 8.1-8.8 HD2 LYS 27 - QD2 LEU 19 far 0 97 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 1309 from cnoeabs.peaks (0.53, 0.53, 23.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + QD2 LEU 19 OK 100 100 - 100 Peak 1310 from cnoeabs.peaks (-0.28, 0.53, 23.51 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + QD2 LEU 19 OK 100 100 100 100 1.9-2.1 2.1=100 HG2 ARG 55 - QD2 LEU 19 far 0 100 0 - 5.8-6.5 HB3 ARG 55 - QD2 LEU 19 far 0 100 0 - 6.4-7.9 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (7.98, -0.28, 24.60 ppm; 5.70 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + QD1 LEU 19 OK 100 100 100 100 3.2-3.7 4.7=100 H ILE 17 + QD1 LEU 19 OK 67 68 100 98 4.6-5.6 3.6/4769=91, 4.3/4766=52...(4) Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (3.64, -0.28, 24.60 ppm; 4.75 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 19 + QD1 LEU 19 OK 100 100 100 100 3.8-3.9 4.0=100 HA VAL 48 + QD1 LEU 19 OK 96 97 100 100 2.9-4.3 4580=78, 4579/2.1=73...(10) HA ALA 38 - QD1 LEU 19 far 0 65 0 - 5.2-6.2 HA GLU 45 - QD1 LEU 19 far 0 100 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 1313 from cnoeabs.peaks (0.71, -0.28, 24.60 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + QD1 LEU 19 OK 100 100 100 100 2.0-2.3 3.1=100 QD1 LEU 41 + QD1 LEU 19 OK 95 97 100 97 2.4-3.3 4816/2.1=73, 4817=50...(9) QD1 ILE 17 - QD1 LEU 19 far 0 98 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 1314 from cnoeabs.peaks (-0.76, -0.28, 24.60 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + QD1 LEU 19 OK 100 100 100 100 2.4-2.7 3.1=100 Violated in 0 structures by 0.00 A. Peak 1315 from cnoeabs.peaks (1.24, -0.28, 24.60 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 19 + QD1 LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - QD1 LEU 19 far 0 92 0 - 5.1-5.9 QG2 THR 46 - QD1 LEU 19 far 0 97 0 - 8.1-9.3 HB2 LEU 29 - QD1 LEU 19 far 0 100 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 1316 from cnoeabs.peaks (0.53, -0.28, 24.60 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + QD1 LEU 19 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1317 from cnoeabs.peaks (-0.28, -0.28, 24.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + QD1 LEU 19 OK 100 100 - 100 Peak 1318 from cnoeabs.peaks (8.41, 4.22, 59.07 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HA GLU 20 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1319 from cnoeabs.peaks (4.22, 4.22, 59.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + HA GLU 20 OK 100 100 - 100 Peak 1320 from cnoeabs.peaks (2.16, 4.22, 59.07 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HA GLU 20 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1321 from cnoeabs.peaks (2.04, 4.22, 59.07 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + HA GLU 20 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 22 - HA GLU 20 far 0 90 0 - 5.1-6.5 Violated in 0 structures by 0.00 A. Peak 1322 from cnoeabs.peaks (2.46, 4.22, 59.07 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 20 + HA GLU 20 OK 100 100 100 100 2.3-2.8 4.1=75, 543/3.0=60...(12) HG3 GLN 15 - HA GLU 20 far 0 78 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 1323 from cnoeabs.peaks (2.42, 4.22, 59.07 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + HA GLU 20 OK 100 100 100 100 3.1-3.8 4.1=81, 544/3.0=62...(11) HD2 ARG 55 - HA GLU 20 far 0 90 0 - 7.6-8.3 HG3 GLU 18 - HA GLU 20 far 0 90 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 1324 from cnoeabs.peaks (8.41, 2.16, 28.89 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + HB2 GLU 20 OK 100 100 100 100 3.6-3.6 541=100, 542/1.8=77...(10) H GLU 67 - HB2 GLN 53 far 0 43 0 - 8.7-28.4 H LEU 64 - HB2 GLN 53 far 0 27 0 - 9.4-24.3 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (4.22, 2.16, 28.89 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.4-2.6 3.0=100 HA GLU 18 - HB2 GLU 20 far 0 65 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (2.16, 2.16, 28.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 20 + HB2 GLU 20 OK 100 100 - 100 HB2 GLN 53 + HB2 GLN 53 OK 40 40 - 100 Peak 1327 from cnoeabs.peaks (2.04, 2.16, 28.89 ppm; 2.82 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 20 + HB2 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 56 - HB2 GLN 53 far 0 47 0 - 4.6-6.6 HB2 LYS 22 - HB2 GLU 20 far 0 90 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. Peak 1328 from cnoeabs.peaks (2.46, 2.16, 28.89 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLN 53 + HB2 GLN 53 OK 27 27 100 100 2.3-3.0 3.0=100 HB2 ASN 54 - HB2 GLN 53 far 0 42 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 1329 from cnoeabs.peaks (2.42, 2.16, 28.89 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLN 53 + HB2 GLN 53 OK 39 39 100 100 2.3-3.0 3.0=100 HD2 ARG 55 - HB2 GLN 53 far 0 38 0 - 6.3-8.2 HG3 GLU 18 - HB2 GLU 20 far 0 90 0 - 8.5-9.0 HD2 ARG 55 - HB2 GLU 20 far 0 90 0 - 9.1-9.9 HG3 GLN 47 - HB2 GLN 53 far 0 33 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 1330 from cnoeabs.peaks (8.41, 2.04, 28.89 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.3-2.6 542=100, 541/1.8=75...(10) H ALA 38 - HB2 GLU 45 far 0 37 0 - 6.8-7.5 H ALA 38 - HB3 GLU 45 far 0 35 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (4.22, 2.04, 28.89 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 20 + HB3 GLU 20 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 18 - HB3 GLU 20 far 0 65 0 - 5.1-5.4 HA ALA 31 - HB2 GLU 45 far 0 62 0 - 6.5-7.9 HA ALA 31 - HB3 GLU 45 far 0 60 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (2.16, 2.04, 28.89 ppm; 2.87 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 20 + HB3 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 48 - HB2 GLU 45 far 0 67 0 - 4.8-5.5 HB VAL 48 - HB3 GLU 45 far 0 65 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 1333 from cnoeabs.peaks (2.04, 2.04, 28.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 20 + HB3 GLU 20 OK 100 100 - 100 HB2 GLU 45 + HB2 GLU 45 OK 66 66 - 100 HB3 GLU 45 + HB3 GLU 45 OK 63 63 - 100 Peak 1334 from cnoeabs.peaks (2.46, 2.04, 28.89 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLN 15 - HB3 GLU 20 far 0 78 0 - 8.8-9.5 HG2 GLN 53 - HB2 GLU 45 far 0 40 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (2.42, 2.04, 28.89 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: * HG3 GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.2-2.4 3.0=100 HG2 GLU 45 + HB2 GLU 45 OK 40 40 100 100 3.0-3.0 3.0=100 HG2 GLU 45 + HB3 GLU 45 OK 39 39 100 100 2.4-2.6 3.0=100 HG3 GLU 18 - HB3 GLU 20 far 0 90 0 - 6.8-7.3 HG3 GLN 47 - HB3 GLU 45 far 0 47 0 - 7.2-8.9 HG3 GLN 47 - HB2 GLU 45 far 0 49 0 - 7.8-9.4 HD2 ARG 55 - HB3 GLU 20 far 0 90 0 - 9.5-10.3 HG2 GLN 53 - HB2 GLU 45 far 0 56 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 1336 from cnoeabs.peaks (8.41, 2.46, 35.40 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.0-3.5 543=100, 544/1.8=88...(12) Violated in 0 structures by 0.00 A. Peak 1337 from cnoeabs.peaks (4.22, 2.46, 35.40 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.3-2.8 4.1=100 HA GLU 18 - HG2 GLU 20 far 0 65 0 - 6.1-7.7 Violated in 0 structures by 0.00 A. Peak 1338 from cnoeabs.peaks (2.16, 2.46, 35.40 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1339 from cnoeabs.peaks (2.04, 2.46, 35.40 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 22 - HG2 GLU 20 far 0 90 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 1340 from cnoeabs.peaks (2.46, 2.46, 35.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 20 + HG2 GLU 20 OK 100 100 - 100 Peak 1341 from cnoeabs.peaks (2.42, 2.46, 35.40 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + HG2 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 55 - HG2 GLU 20 far 0 90 0 - 6.7-7.7 HG3 GLU 18 - HG2 GLU 20 far 0 90 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 1342 from cnoeabs.peaks (8.41, 2.42, 35.40 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.3-3.2 544=100, 543/1.8=90...(12) H GLU 20 - HG3 GLU 18 far 0 66 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 1343 from cnoeabs.peaks (4.22, 2.42, 35.40 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 20 + HG3 GLU 20 OK 100 100 100 100 3.1-3.8 4.1=100 HA GLU 18 + HG3 GLU 18 OK 36 36 100 100 2.3-3.4 3.9=100 HA GLU 18 - HG3 GLU 20 far 0 65 0 - 6.1-6.6 HA GLU 20 - HG3 GLU 18 far 0 66 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (2.16, 2.42, 35.40 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 20 - HG3 GLU 18 far 0 66 0 - 8.5-9.0 HB3 LYS 42 - HG3 GLU 18 far 0 61 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1345 from cnoeabs.peaks (2.04, 2.42, 35.40 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.2-2.4 3.0=100 HB3 GLU 20 - HG3 GLU 18 far 0 66 0 - 6.8-7.3 HB2 LYS 22 - HG3 GLU 20 far 0 90 0 - 7.4-9.0 HB2 LYS 22 - HG3 GLU 18 far 0 54 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 1346 from cnoeabs.peaks (2.46, 2.42, 35.40 ppm; 2.46 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 20 + HG3 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 15 - HG3 GLU 18 far 0 45 0 - 5.4-7.7 HG2 GLU 20 - HG3 GLU 18 far 0 66 0 - 7.5-9.5 HG3 GLN 15 - HG3 GLU 20 far 0 78 0 - 7.6-8.8 HG3 MET 11 - HG3 GLU 20 far 0 81 0 - 8.6-11.8 HG3 MET 11 - HG3 GLU 18 far 0 47 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 1347 from cnoeabs.peaks (2.42, 2.42, 35.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 20 + HG3 GLU 20 OK 100 100 - 100 HG3 GLU 18 + HG3 GLU 18 OK 54 54 - 100 Peak 1348 from cnoeabs.peaks (8.31, 4.07, 59.55 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 21 + HA ARG 21 OK 100 100 100 100 2.8-2.8 2.9=100 H LYS 62 - HA ARG 56 far 0 88 0 - 5.1-11.5 H ASN 54 - HA ARG 56 far 0 78 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 1349 from cnoeabs.peaks (4.07, 4.07, 59.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 21 + HA ARG 21 OK 100 100 - 100 HA ARG 56 + HA ARG 56 OK 89 89 - 100 Peak 1350 from cnoeabs.peaks (1.97, 4.07, 59.55 ppm; 2.88 A): 1 out of 7 assignments used, quality = 0.99: HB3 ARG 21 + HA ARG 21 OK 99 100 100 99 2.4-2.7 3.0=89, 3.0/1352=38...(19) ! HB2 ARG 21 - HA ARG 21 far 15 100 15 - 3.0-3.0 HD3 LYS 22 - HA ARG 21 far 0 99 0 - 5.0-7.3 HD3 ARG 55 - HA ARG 56 far 0 92 0 - 7.3-7.9 HB3 GLU 18 - HA ARG 21 far 0 60 0 - 7.4-8.0 HB2 GLU 18 - HA ARG 21 far 0 60 0 - 8.1-8.5 HB3 GLU 67 - HA ARG 56 far 0 91 0 - 9.3-26.3 Violated in 0 structures by 0.00 A. Peak 1351 from cnoeabs.peaks (1.97, 4.07, 59.55 ppm; 2.88 A): 1 out of 8 assignments used, quality = 0.99: * HB3 ARG 21 + HA ARG 21 OK 99 100 100 99 2.4-2.7 3.0=89, 3.0/1352=38...(19) HB2 ARG 21 - HA ARG 21 far 15 100 15 - 3.0-3.0 HD3 LYS 22 - HA ARG 21 far 0 98 0 - 5.0-7.3 HB3 GLN 63 - HA ARG 56 far 0 56 0 - 6.6-17.1 HD3 ARG 55 - HA ARG 56 far 0 93 0 - 7.3-7.9 HB3 GLU 18 - HA ARG 21 far 0 68 0 - 7.4-8.0 HB2 GLU 18 - HA ARG 21 far 0 68 0 - 8.1-8.5 HB3 GLU 67 - HA ARG 56 far 0 88 0 - 9.3-26.3 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (1.86, 4.07, 59.55 ppm; 3.41 A): 1 out of 3 assignments used, quality = 0.95: * HG2 ARG 21 + HA ARG 21 OK 95 100 95 100 2.4-3.6 1373=72, 1.8/1353=66...(17) HB2 LYS 60 - HA ARG 56 far 0 64 0 - 6.6-10.2 HB ILE 17 - HA ARG 21 far 0 81 0 - 7.7-8.1 Violated in 1 structures by 0.01 A. Peak 1353 from cnoeabs.peaks (1.60, 4.07, 59.55 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 21 + HA ARG 21 OK 100 100 100 100 2.3-3.5 1381=87, 1.8/1352=78...(18) HG2 ARG 61 - HA ARG 56 far 0 90 0 - 5.4-11.6 HG3 ARG 61 - HA ARG 56 far 0 89 0 - 5.8-11.6 HG LEU 68 - HA ARG 56 far 0 87 0 - 7.7-24.2 HB3 LEU 64 - HA ARG 56 far 0 85 0 - 7.8-19.4 HB3 LEU 68 - HA ARG 56 far 0 56 0 - 9.1-23.9 Violated in 0 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (3.20, 4.07, 59.55 ppm; 4.48 A increased from 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HA ARG 21 OK 100 100 100 100 2.3-4.5 2.9/1352=83, 3.5/1351=81...(16) HA VAL 16 - HA ARG 21 far 0 71 0 - 9.4-9.9 Violated in 1 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (3.23, 4.07, 59.55 ppm; 4.90 A increased from 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + HA ARG 21 OK 100 100 100 100 3.5-4.8 4.9=100 HA VAL 16 - HA ARG 21 far 0 98 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 1356 from cnoeabs.peaks (8.31, 1.97, 30.19 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.2-2.7 547=100, 549/1360=44...(14) H ARG 21 - HB3 ARG 21 far 0 100 0 - 3.5-3.6 H LYS 62 - HB3 GLU 67 far 0 69 0 - 7.0-18.3 H ASN 54 - HB3 GLU 67 far 0 59 0 - 9.9-31.7 Violated in 0 structures by 0.00 A. Peak 1357 from cnoeabs.peaks (4.07, 1.97, 30.19 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 21 + HB2 ARG 21 OK 100 100 100 100 3.0-3.0 3.0=100 HA ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.4-2.7 3.0=100 HA SER 24 - HB3 ARG 21 far 0 98 0 - 7.5-8.2 HA SER 24 - HB2 ARG 21 far 0 99 0 - 8.0-8.6 HA LEU 37 - HB2 ARG 21 far 0 97 0 - 8.7-9.6 HA ARG 56 - HB3 GLU 67 far 0 70 0 - 9.3-26.3 HA SER 24 - HB3 GLU 67 far 0 71 0 - 9.4-30.6 HA LEU 37 - HB3 ARG 21 far 0 96 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 1358 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 71 71 - 100 Peak 1359 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 69 69 - 100 Reference assignment not found: HB3 ARG 21 - HB2 ARG 21 Peak 1360 from cnoeabs.peaks (1.86, 1.97, 30.19 ppm; 2.80 A): 1 out of 6 assignments used, quality = 0.89: * HG2 ARG 21 + HB2 ARG 21 OK 89 100 90 99 2.3-3.0 3.0=84, 1352/3.0=35...(14) HG2 ARG 21 - HB3 ARG 21 far 15 100 15 - 2.5-3.0 HB2 LYS 60 - HB3 GLU 67 far 0 47 0 - 5.1-20.6 HB ILE 17 - HB2 ARG 21 far 0 81 0 - 6.1-6.9 HB ILE 17 - HB3 ARG 21 far 0 80 0 - 7.6-8.2 HG LEU 41 - HB2 ARG 21 far 0 99 0 - 8.5-9.1 Violated in 2 structures by 0.02 A. Peak 1361 from cnoeabs.peaks (1.60, 1.97, 30.19 ppm; 3.29 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 68 - HB3 GLU 67 far 0 41 0 - 4.5-7.3 HG LEU 68 - HB3 GLU 67 far 0 68 0 - 4.9-8.8 HB3 LEU 64 - HB3 GLU 67 far 0 65 0 - 5.5-13.5 HG2 ARG 61 - HB3 GLU 67 far 0 70 0 - 6.5-20.8 HG3 ARG 61 - HB3 GLU 67 far 0 70 0 - 7.7-21.5 Violated in 0 structures by 0.00 A. Peak 1362 from cnoeabs.peaks (3.20, 1.97, 30.19 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.0-3.3 3.5=100 HD2 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.1-3.7 3.5=100 HA VAL 16 - HB2 ARG 21 far 0 71 0 - 8.3-8.9 HA VAL 16 - HB3 ARG 21 far 0 70 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1363 from cnoeabs.peaks (3.23, 1.97, 30.19 ppm; 3.68 A increased from 3.47 A): 2 out of 4 assignments used, quality = 0.99: * HD3 ARG 21 + HB2 ARG 21 OK 95 100 95 100 2.4-3.9 3.5=100 HD3 ARG 21 + HB3 ARG 21 OK 90 100 90 100 2.8-3.9 3.5=100 HA VAL 16 - HB2 ARG 21 far 0 98 0 - 8.3-8.9 HA VAL 16 - HB3 ARG 21 far 0 97 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (8.31, 1.97, 30.19 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: H ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.2-2.7 548=100, 549/1368=44...(14) ! H ARG 21 - HB3 ARG 21 far 0 100 0 - 3.5-3.6 H LYS 62 - HB3 GLU 67 far 0 63 0 - 7.0-18.3 H ASN 54 - HB3 GLU 67 far 0 54 0 - 9.9-31.7 Violated in 0 structures by 0.00 A. Peak 1365 from cnoeabs.peaks (4.07, 1.97, 30.19 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.4-2.7 3.0=100 HA ARG 21 + HB2 ARG 21 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 24 - HB3 ARG 21 far 0 99 0 - 7.5-8.2 HA SER 24 - HB2 ARG 21 far 0 98 0 - 8.0-8.6 HA LEU 37 - HB2 ARG 21 far 0 96 0 - 8.7-9.6 HA ARG 56 - HB3 GLU 67 far 0 64 0 - 9.3-26.3 HA SER 24 - HB3 GLU 67 far 0 65 0 - 9.4-30.6 HA LEU 37 - HB3 ARG 21 far 0 97 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 65 65 - 100 Reference assignment not found: HB2 ARG 21 - HB3 ARG 21 Peak 1367 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 63 63 - 100 Peak 1368 from cnoeabs.peaks (1.86, 1.97, 30.19 ppm; 2.80 A): 1 out of 6 assignments used, quality = 0.89: HG2 ARG 21 + HB2 ARG 21 OK 89 100 90 99 2.3-3.0 3.0=84, 1352/3.0=35...(14) ! HG2 ARG 21 - HB3 ARG 21 far 15 100 15 - 2.5-3.0 HB2 LYS 60 - HB3 GLU 67 far 0 42 0 - 5.1-20.6 HB ILE 17 - HB2 ARG 21 far 0 80 0 - 6.1-6.9 HB ILE 17 - HB3 ARG 21 far 0 81 0 - 7.6-8.2 HG LEU 41 - HB2 ARG 21 far 0 98 0 - 8.5-9.1 Violated in 2 structures by 0.02 A. Peak 1369 from cnoeabs.peaks (1.60, 1.97, 30.19 ppm; 3.29 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 68 - HB3 GLU 67 far 0 37 0 - 4.5-7.3 HG LEU 68 - HB3 GLU 67 far 0 62 0 - 4.9-8.8 HB3 LEU 64 - HB3 GLU 67 far 0 60 0 - 5.5-13.5 HG2 ARG 61 - HB3 GLU 67 far 0 65 0 - 6.5-20.8 HG3 ARG 61 - HB3 GLU 67 far 0 64 0 - 7.7-21.5 Violated in 0 structures by 0.00 A. Peak 1370 from cnoeabs.peaks (3.20, 1.97, 30.19 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.0-3.3 3.5=100 HA VAL 16 - HB2 ARG 21 far 0 70 0 - 8.3-8.9 HA VAL 16 - HB3 ARG 21 far 0 71 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1371 from cnoeabs.peaks (3.23, 1.97, 30.19 ppm; 3.68 A increased from 3.47 A): 2 out of 4 assignments used, quality = 0.99: HD3 ARG 21 + HB2 ARG 21 OK 95 100 95 100 2.4-3.9 3.5=100 * HD3 ARG 21 + HB3 ARG 21 OK 90 100 90 100 2.8-3.9 3.5=100 HA VAL 16 - HB2 ARG 21 far 0 97 0 - 8.3-8.9 HA VAL 16 - HB3 ARG 21 far 0 98 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1372 from cnoeabs.peaks (8.31, 1.86, 27.31 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.1-3.8 549=100, 547/1360=90...(15) Violated in 0 structures by 0.00 A. Peak 1373 from cnoeabs.peaks (4.07, 1.86, 27.31 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.4-3.6 1352=100, 1353/1.8=80...(17) HA SER 24 - HG2 ARG 21 far 0 99 0 - 8.0-9.2 HB THR 14 - HG2 ARG 21 far 0 68 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (1.97, 1.86, 27.31 ppm; 2.93 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.3-3.0 1360=100, 3.0/1352=39...(13) HB3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.5-3.0 3.0=96, 1.8/1360=71...(12) HB3 GLU 18 - HG2 ARG 21 far 0 60 0 - 5.0-7.0 HB2 GLU 18 - HG2 ARG 21 far 0 60 0 - 5.6-7.5 HD3 LYS 22 - HG2 ARG 21 far 0 99 0 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (1.97, 1.86, 27.31 ppm; 2.93 A): 2 out of 5 assignments used, quality = 1.00: HB2 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.3-3.0 1368=100, 3.0/1352=39...(13) * HB3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.5-3.0 3.0=96, 1.8/1360=71...(12) HB3 GLU 18 - HG2 ARG 21 far 0 68 0 - 5.0-7.0 HB2 GLU 18 - HG2 ARG 21 far 0 68 0 - 5.6-7.5 HD3 LYS 22 - HG2 ARG 21 far 0 98 0 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 1376 from cnoeabs.peaks (1.86, 1.86, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 21 + HG2 ARG 21 OK 100 100 - 100 Peak 1377 from cnoeabs.peaks (1.60, 1.86, 27.31 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1378 from cnoeabs.peaks (3.20, 1.86, 27.31 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.6-3.0 2.9=100 HA VAL 16 - HG2 ARG 21 far 0 71 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 1379 from cnoeabs.peaks (3.23, 1.86, 27.31 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.2-3.0 2.9=100 HA VAL 16 - HG2 ARG 21 far 0 98 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (8.31, 1.60, 27.31 ppm; 4.66 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.2-4.1 550=100, 549/1.8=96...(13) H LYS 62 + HG2 ARG 61 OK 54 91 60 99 2.0-5.4 5.0=82, 328/2.9=76...(5) H LYS 62 + HG3 ARG 61 OK 48 89 55 99 3.0-5.9 5.0=82, 328/2.9=76...(5) Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (4.07, 1.60, 27.31 ppm; 3.76 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.5 1353=100, 1352/1.8=83...(18) HA ARG 56 - HG2 ARG 61 far 0 92 0 - 5.4-11.6 HA ARG 56 - HG3 ARG 61 far 0 90 0 - 5.8-11.6 HA SER 24 - HG3 ARG 21 far 0 99 0 - 7.7-9.2 HA SER 24 - HG3 ARG 61 far 0 92 0 - 8.0-19.9 HA SER 24 - HG2 ARG 61 far 0 93 0 - 8.9-18.2 HB THR 14 - HG3 ARG 21 far 0 68 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (1.97, 1.60, 27.31 ppm; 3.28 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 18 - HG3 ARG 21 far 0 60 0 - 4.9-7.7 HB2 GLU 18 - HG3 ARG 21 far 0 60 0 - 5.4-8.5 HD3 LYS 22 - HG3 ARG 21 far 0 99 0 - 5.9-8.3 HB3 GLU 67 - HG2 ARG 61 far 0 93 0 - 6.5-20.8 HB3 GLU 67 - HG3 ARG 61 far 0 92 0 - 7.7-21.5 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (1.97, 1.60, 27.31 ppm; 3.28 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 - HG2 ARG 61 far 3 58 5 - 2.1-10.8 HB3 GLN 63 - HG3 ARG 61 far 3 57 5 - 2.5-11.2 HB3 GLU 18 - HG3 ARG 21 far 0 68 0 - 4.9-7.7 HB2 GLU 18 - HG3 ARG 21 far 0 68 0 - 5.4-8.5 HD3 LYS 22 - HG3 ARG 21 far 0 98 0 - 5.9-8.3 HB3 GLU 67 - HG2 ARG 61 far 0 91 0 - 6.5-20.8 HB3 GLU 67 - HG3 ARG 61 far 0 89 0 - 7.7-21.5 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (1.86, 1.60, 27.31 ppm; 2.63 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 60 - HG2 ARG 61 far 3 66 5 - 2.4-8.3 HB2 LYS 60 - HG3 ARG 61 far 0 64 0 - 3.8-8.6 HB ILE 17 - HG3 ARG 21 far 0 81 0 - 4.8-7.6 HG LEU 41 - HG3 ARG 21 far 0 99 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (1.60, 1.60, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 21 + HG3 ARG 21 OK 100 100 - 100 HG2 ARG 61 + HG2 ARG 61 OK 93 93 - 100 HG3 ARG 61 + HG3 ARG 61 OK 90 90 - 100 Peak 1386 from cnoeabs.peaks (3.20, 1.60, 27.31 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.4-3.0 2.9=100 HA VAL 16 - HG3 ARG 21 far 0 71 0 - 7.8-10.8 Violated in 0 structures by 0.00 A. Peak 1387 from cnoeabs.peaks (3.23, 1.60, 27.31 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA VAL 16 - HG3 ARG 21 far 0 98 0 - 7.8-10.8 Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (4.07, 3.20, 43.43 ppm; 5.23 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.3-4.5 4.9=100 HA SER 24 - HD2 ARG 21 far 0 99 0 - 7.3-10.5 HB THR 14 - HD2 ARG 21 far 0 68 0 - 9.5-11.7 HA LEU 37 - HD2 ARG 21 far 0 97 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (1.97, 3.20, 43.43 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.0-3.3 3.5=100 HB3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 GLU 18 - HD2 ARG 21 far 0 60 0 - 4.7-7.1 HD3 LYS 22 - HD2 ARG 21 far 0 99 0 - 4.9-8.6 HB2 GLU 18 - HD2 ARG 21 far 0 60 0 - 5.5-7.6 Violated in 0 structures by 0.00 A. Peak 1391 from cnoeabs.peaks (1.97, 3.20, 43.43 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.1-3.7 3.5=100 HB2 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.0-3.3 3.5=100 HB3 GLU 18 - HD2 ARG 21 far 0 68 0 - 4.7-7.1 HD3 LYS 22 - HD2 ARG 21 far 0 98 0 - 4.9-8.6 HB2 GLU 18 - HD2 ARG 21 far 0 68 0 - 5.5-7.6 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (1.86, 3.20, 43.43 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.6-3.0 2.9=100 HB ILE 17 - HD2 ARG 21 far 0 81 0 - 5.3-7.1 HG LEU 41 - HD2 ARG 21 far 0 99 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 1393 from cnoeabs.peaks (1.60, 3.20, 43.43 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1394 from cnoeabs.peaks (3.20, 3.20, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 21 + HD2 ARG 21 OK 100 100 - 100 Peak 1395 from cnoeabs.peaks (3.23, 3.20, 43.43 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 16 - HD2 ARG 21 far 0 98 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (4.07, 3.23, 43.43 ppm; 5.03 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 21 + HD3 ARG 21 OK 100 100 100 100 3.5-4.8 4.9=100 HA SER 24 - HD3 ARG 21 far 0 99 0 - 8.8-10.8 HB THR 14 - HD3 ARG 21 far 0 68 0 - 8.8-11.4 HA LEU 37 - HD3 ARG 21 far 0 97 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 1398 from cnoeabs.peaks (1.97, 3.23, 43.43 ppm; 3.81 A increased from 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 21 + HD3 ARG 21 OK 95 100 95 100 2.4-3.9 3.5=100 HB3 ARG 21 + HD3 ARG 21 OK 95 100 95 100 2.8-3.9 3.5=100 HB3 GLU 18 - HD3 ARG 21 far 0 60 0 - 4.6-6.9 HB2 GLU 18 - HD3 ARG 21 far 0 60 0 - 5.5-7.5 HD3 LYS 22 - HD3 ARG 21 far 0 99 0 - 6.5-9.2 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (1.97, 3.23, 43.43 ppm; 3.81 A increased from 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 21 + HD3 ARG 21 OK 95 100 95 100 2.8-3.9 3.5=100 HB2 ARG 21 + HD3 ARG 21 OK 95 100 95 100 2.4-3.9 3.5=100 HB3 GLU 18 - HD3 ARG 21 far 0 68 0 - 4.6-6.9 HB2 GLU 18 - HD3 ARG 21 far 0 68 0 - 5.5-7.5 HD3 LYS 22 - HD3 ARG 21 far 0 98 0 - 6.5-9.2 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (1.86, 3.23, 43.43 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.2-3.0 2.9=100 HB ILE 17 - HD3 ARG 21 far 0 81 0 - 4.5-6.8 HG LEU 41 - HD3 ARG 21 far 0 99 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (1.60, 3.23, 43.43 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1402 from cnoeabs.peaks (3.20, 3.23, 43.43 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HD3 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 16 - HD3 ARG 21 far 0 71 0 - 7.8-10.4 Violated in 0 structures by 0.00 A. Peak 1403 from cnoeabs.peaks (3.23, 3.23, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 21 + HD3 ARG 21 OK 100 100 - 100 Peak 1404 from cnoeabs.peaks (8.03, 4.35, 57.92 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + HA LYS 22 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1405 from cnoeabs.peaks (4.35, 4.35, 57.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HA LYS 22 OK 100 100 - 100 Peak 1406 from cnoeabs.peaks (2.06, 4.35, 57.92 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HA LYS 22 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLU 20 - HA LYS 22 far 0 90 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 1407 from cnoeabs.peaks (2.38, 4.35, 57.92 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HA LYS 22 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLU 18 - HA LYS 22 far 0 65 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (1.71, 4.35, 57.92 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HA LYS 22 OK 100 100 100 100 3.6-3.7 3.7=100 HB3 LEU 37 - HA LYS 22 far 0 87 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (1.68, 4.35, 57.92 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HA LYS 22 OK 100 100 100 100 2.5-2.8 3.7=100 HB2 LEU 37 - HA LYS 22 far 0 93 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 1410 from cnoeabs.peaks (1.82, 4.35, 57.92 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HA LYS 22 OK 100 100 100 100 2.3-3.4 1455=86, 1.8/1411=77...(15) Violated in 0 structures by 0.00 A. Peak 1411 from cnoeabs.peaks (1.96, 4.35, 57.92 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.89: * HD3 LYS 22 + HA LYS 22 OK 89 100 90 99 2.0-3.4 1465=75, 1.8/1410=65...(15) HB3 ARG 21 - HA LYS 22 far 0 98 0 - 3.9-4.6 HB2 ARG 21 - HA LYS 22 far 0 99 0 - 4.3-4.8 Violated in 2 structures by 0.01 A. Peak 1412 from cnoeabs.peaks (2.80, 4.35, 57.92 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HA LYS 22 OK 100 100 100 100 4.4-5.1 1475=100, 3.0/1411=96...(8) Violated in 0 structures by 0.00 A. Peak 1413 from cnoeabs.peaks (2.95, 4.35, 57.92 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HA LYS 22 OK 100 100 100 100 4.3-4.6 1485=100, 3.0/1411=90...(8) Violated in 0 structures by 0.00 A. Peak 1414 from cnoeabs.peaks (8.03, 2.06, 30.62 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.2-2.5 555=100, 556/1.8=80...(14) H ILE 17 - HB2 LYS 22 far 0 83 0 - 9.2-9.9 H LEU 41 - HB2 LYS 22 far 0 65 0 - 9.4-10.4 H ASN 40 - HB2 LYS 22 far 0 96 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 1415 from cnoeabs.peaks (4.35, 2.06, 30.62 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.6-3.0 3.0=100 HA LYS 49 - HB2 LYS 22 far 0 76 0 - 9.8-11.7 HA LEU 41 - HB2 LYS 22 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 1416 from cnoeabs.peaks (2.06, 2.06, 30.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HB2 LYS 22 OK 100 100 - 100 Peak 1417 from cnoeabs.peaks (2.38, 2.06, 30.62 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 18 - HB2 LYS 22 far 0 65 0 - 7.6-8.5 HD2 ARG 55 - HB2 LYS 22 far 0 65 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1418 from cnoeabs.peaks (1.71, 2.06, 30.62 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 LEU 37 - HB2 LYS 22 far 0 87 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (1.68, 2.06, 30.62 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LEU 37 - HB2 LYS 22 far 0 93 0 - 5.0-6.4 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (1.82, 2.06, 30.62 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.2-3.0 3.5=100 HB ILE 17 - HB2 LYS 22 far 0 85 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (1.96, 2.06, 30.62 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.2-3.3 3.5=100 HB2 ARG 21 - HB2 LYS 22 far 0 99 0 - 3.9-4.5 HB3 ARG 21 - HB2 LYS 22 far 0 98 0 - 4.3-5.5 HD3 ARG 55 - HB2 LYS 22 far 0 97 0 - 9.5-11.7 HB2 ARG 34 - HB2 LYS 22 far 0 78 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1423 from cnoeabs.peaks (2.95, 2.06, 30.62 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 4.3-4.8 4.7=100 Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (8.03, 2.38, 30.62 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.7-3.5 4.0=100 H LEU 41 - HB3 LYS 22 far 0 65 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 1425 from cnoeabs.peaks (4.35, 2.38, 30.62 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 49 - HB3 LYS 22 far 0 76 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 1426 from cnoeabs.peaks (2.06, 2.38, 30.62 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HB3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 20 - HB3 LYS 22 far 0 90 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 1427 from cnoeabs.peaks (2.38, 2.38, 30.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HB3 LYS 22 OK 100 100 - 100 Peak 1428 from cnoeabs.peaks (1.71, 2.38, 30.62 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.3-2.4 2.9=100 HB3 LEU 37 - HB3 LYS 22 far 0 87 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (1.68, 2.38, 30.62 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LEU 37 - HB3 LYS 22 far 0 93 0 - 5.6-6.5 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (1.82, 2.38, 30.62 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HB3 LYS 22 OK 100 100 100 100 3.5-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (1.96, 2.38, 30.62 ppm; 4.63 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HB3 LYS 22 OK 100 100 100 100 3.5-3.9 3.5=100 HB2 ARG 21 - HB3 LYS 22 far 0 99 0 - 5.1-5.9 HB3 ARG 21 - HB3 LYS 22 far 0 98 0 - 5.5-6.5 HB2 ARG 34 - HB3 LYS 22 far 0 78 0 - 9.2-10.1 HD3 ARG 55 - HB3 LYS 22 far 0 97 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 1434 from cnoeabs.peaks (8.03, 1.71, 24.77 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 22 + HG2 LYS 22 OK 100 100 100 100 4.1-4.7 557=100, 555/2.9=94...(15) H ASN 40 - HG2 LYS 22 far 0 96 0 - 9.1-9.9 H LEU 41 - HG2 LYS 22 far 0 65 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (4.35, 1.71, 24.77 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 22 + HG2 LYS 22 OK 100 100 100 100 3.6-3.7 3.7=100 HA LYS 49 - HG2 LYS 22 far 0 76 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 1436 from cnoeabs.peaks (2.06, 1.71, 24.77 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 GLU 20 - HG2 LYS 22 far 0 90 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (2.38, 1.71, 24.77 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.3-2.4 2.9=100 HG3 GLU 18 - HG2 LYS 22 far 0 65 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 1438 from cnoeabs.peaks (1.71, 1.71, 24.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HG2 LYS 22 OK 100 100 - 100 Peak 1439 from cnoeabs.peaks (1.68, 1.71, 24.77 ppm; 2.77 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 37 - HG2 LYS 22 far 0 93 0 - 3.8-4.7 Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (1.82, 1.71, 24.77 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (1.96, 1.71, 24.77 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ARG 21 - HG2 LYS 22 far 0 99 0 - 5.5-7.0 HB3 ARG 21 - HG2 LYS 22 far 0 98 0 - 6.4-7.5 HB2 ARG 34 - HG2 LYS 22 far 0 78 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 1442 from cnoeabs.peaks (2.80, 1.71, 24.77 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.2-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 1443 from cnoeabs.peaks (2.95, 1.71, 24.77 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.4-3.6 3.7=100 HB2 TYR 28 - HG2 LYS 22 far 0 100 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 1444 from cnoeabs.peaks (8.03, 1.68, 24.77 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + HG3 LYS 22 OK 100 100 100 100 4.2-4.6 558=100, 555/2.9=93...(13) Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (4.35, 1.68, 24.77 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.5-2.8 3.7=100 HA LYS 49 - HG3 LYS 22 far 0 76 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 1446 from cnoeabs.peaks (2.06, 1.68, 24.77 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 GLU 20 - HG3 LYS 22 far 0 90 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (2.38, 1.68, 24.77 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.4-2.6 2.9=100 HG3 GLU 18 - HG3 LYS 22 far 0 65 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1448 from cnoeabs.peaks (1.71, 1.68, 24.77 ppm; 2.68 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 37 - HG3 LYS 22 far 0 87 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 1449 from cnoeabs.peaks (1.68, 1.68, 24.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HG3 LYS 22 OK 100 100 - 100 Peak 1450 from cnoeabs.peaks (1.82, 1.68, 24.77 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1451 from cnoeabs.peaks (1.96, 1.68, 24.77 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 - HG3 LYS 22 far 0 99 0 - 5.5-6.8 HB3 ARG 21 - HG3 LYS 22 far 0 98 0 - 5.8-7.1 HB2 ARG 34 - HG3 LYS 22 far 0 78 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 1452 from cnoeabs.peaks (2.80, 1.68, 24.77 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.7-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 1453 from cnoeabs.peaks (2.95, 1.68, 24.77 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.5-3.9 3.7=100 HB2 TYR 28 - HG3 LYS 22 far 0 100 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (4.35, 1.82, 27.95 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.3-3.4 1410=100, 1411/1.8=82...(15) HA ASN 40 - HD2 LYS 22 far 0 81 0 - 9.7-11.9 HA LEU 41 - HD2 LYS 22 far 0 97 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1456 from cnoeabs.peaks (2.06, 1.82, 27.95 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.2-3.0 3.5=100 HB3 GLU 20 - HD2 LYS 22 far 0 90 0 - 6.7-9.6 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (2.38, 1.82, 27.95 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 3.5-3.9 3.5=100 HG3 GLU 18 - HD2 LYS 22 far 0 65 0 - 6.9-10.8 Violated in 0 structures by 0.00 A. Peak 1458 from cnoeabs.peaks (1.71, 1.82, 27.95 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 37 - HD2 LYS 22 far 0 87 0 - 5.7-7.2 Violated in 0 structures by 0.00 A. Peak 1459 from cnoeabs.peaks (1.68, 1.82, 27.95 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 37 - HD2 LYS 22 far 0 93 0 - 4.4-5.9 Violated in 0 structures by 0.00 A. Peak 1460 from cnoeabs.peaks (1.82, 1.82, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HD2 LYS 22 OK 100 100 - 100 Peak 1461 from cnoeabs.peaks (1.96, 1.82, 27.95 ppm; 2.70 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 21 - HD2 LYS 22 far 0 99 0 - 3.0-6.1 HB3 ARG 21 - HD2 LYS 22 far 0 98 0 - 4.2-5.9 HB2 ARG 34 - HD2 LYS 22 far 0 78 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1462 from cnoeabs.peaks (2.80, 1.82, 27.95 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1463 from cnoeabs.peaks (2.95, 1.82, 27.95 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (8.03, 1.96, 27.95 ppm; 5.26 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 22 + HD3 LYS 22 OK 100 100 100 100 3.1-4.8 2.9/1411=97, 559/1.8=94...(16) H ASN 40 - HD3 LYS 22 far 0 96 0 - 8.9-11.7 H LEU 41 - HD3 LYS 22 far 0 65 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (4.35, 1.96, 27.95 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.0-3.4 1411=100, 1410/1.8=77...(15) Violated in 0 structures by 0.00 A. Peak 1466 from cnoeabs.peaks (2.06, 1.96, 27.95 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.2-3.3 3.5=100 HB3 GLU 20 - HD3 LYS 22 far 0 90 0 - 7.5-9.7 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (2.38, 1.96, 27.95 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HD3 LYS 22 OK 100 100 100 100 3.5-3.9 3.5=100 HG3 GLU 18 - HD3 LYS 22 far 0 65 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (1.71, 1.96, 27.95 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 37 - HD3 LYS 22 far 0 87 0 - 5.5-7.8 Violated in 0 structures by 0.00 A. Peak 1469 from cnoeabs.peaks (1.68, 1.96, 27.95 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 37 - HD3 LYS 22 far 0 93 0 - 4.3-6.5 Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (1.82, 1.96, 27.95 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 17 - HD3 LYS 22 far 0 85 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (1.96, 1.96, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HD3 LYS 22 OK 100 100 - 100 Peak 1472 from cnoeabs.peaks (2.80, 1.96, 27.95 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (2.95, 1.96, 27.95 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1475 from cnoeabs.peaks (4.35, 2.80, 42.08 ppm; 5.09 A increased from 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 22 + HE2 LYS 22 OK 100 100 100 100 4.4-5.1 1411/3.0=94, 1412=93...(8) HA ASN 40 - HE2 LYS 22 far 0 81 0 - 9.3-12.3 HA LEU 41 - HE2 LYS 22 far 0 97 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 1476 from cnoeabs.peaks (2.06, 2.80, 42.08 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.85: * HB2 LYS 22 + HE2 LYS 22 OK 85 100 85 100 3.8-4.6 4.7=75, 3.0/1475=49...(10) HB3 GLU 20 - HE2 LYS 22 far 0 90 0 - 9.3-11.7 Violated in 3 structures by 0.03 A. Peak 1478 from cnoeabs.peaks (1.71, 2.80, 42.08 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.2-3.7 3.7=100 HB3 LEU 37 - HE2 LYS 22 far 0 87 0 - 4.3-6.6 HD2 LYS 39 - HE2 LYS 22 far 0 83 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 1479 from cnoeabs.peaks (1.68, 2.80, 42.08 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.7-3.7 3.7=100 HB2 LEU 37 + HE2 LYS 22 OK 70 93 80 93 2.8-5.0 3.1/4386=35, ~4780=29...(10) HD2 LYS 39 - HE2 LYS 22 far 0 90 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (1.82, 2.80, 42.08 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 32 - HE2 LYS 22 far 0 76 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (1.96, 2.80, 42.08 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 - HE2 LYS 22 far 0 99 0 - 5.3-8.2 HB3 ARG 21 - HE2 LYS 22 far 0 98 0 - 6.1-8.2 HB2 ARG 34 - HE2 LYS 22 far 0 78 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 1482 from cnoeabs.peaks (2.80, 2.80, 42.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HE2 LYS 22 OK 100 100 - 100 Peak 1483 from cnoeabs.peaks (2.95, 2.80, 42.08 ppm; 2.54 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HE2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 28 - HE2 LYS 22 far 0 100 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 1485 from cnoeabs.peaks (4.35, 2.95, 42.08 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HE3 LYS 22 OK 100 100 100 100 4.3-4.6 1411/3.0=86, 1413=85...(8) Violated in 1 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (1.71, 2.95, 42.08 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.4-3.6 3.7=100 HB3 LEU 37 - HE3 LYS 22 far 0 87 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (1.68, 2.95, 42.08 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.5-3.9 3.7=100 HB2 LEU 37 - HE3 LYS 22 far 0 93 0 - 4.2-5.3 Violated in 0 structures by 0.00 A. Peak 1490 from cnoeabs.peaks (1.82, 2.95, 42.08 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 32 - HE3 LYS 22 far 0 76 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (1.96, 2.95, 42.08 ppm; 4.82 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 - HE3 LYS 22 far 5 99 5 - 4.9-8.4 HB3 ARG 21 - HE3 LYS 22 far 0 98 0 - 5.2-8.3 HB2 ARG 34 - HE3 LYS 22 far 0 78 0 - 7.8-10.2 HG2 PRO 32 - HE3 LYS 22 far 0 81 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1492 from cnoeabs.peaks (2.80, 2.95, 42.08 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HE3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1493 from cnoeabs.peaks (2.95, 2.95, 42.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HE3 LYS 22 OK 100 100 - 100 Peak 1494 from cnoeabs.peaks (8.99, 4.76, 60.13 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HA PHE 23 OK 100 100 100 100 2.8-2.8 3.0=100 H SER 30 - HA PHE 23 far 0 90 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 1495 from cnoeabs.peaks (4.76, 4.76, 60.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + HA PHE 23 OK 100 100 - 100 Peak 1496 from cnoeabs.peaks (3.15, 4.76, 60.13 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 23 + HA PHE 23 OK 100 100 100 100 2.4-2.6 2.9=100 HD2 ARG 61 - HA PHE 23 far 0 95 0 - 10.0-20.1 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (3.08, 4.76, 60.13 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HA PHE 23 OK 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1500 from cnoeabs.peaks (8.99, 3.15, 39.32 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HB2 PHE 23 OK 100 100 100 100 2.3-2.6 565=100, 566/1.8=77...(7) Violated in 0 structures by 0.00 A. Peak 1501 from cnoeabs.peaks (4.76, 3.15, 39.32 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + HB2 PHE 23 OK 100 100 100 100 2.4-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 1502 from cnoeabs.peaks (3.15, 3.15, 39.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 23 + HB2 PHE 23 OK 100 100 - 100 Peak 1503 from cnoeabs.peaks (3.08, 3.15, 39.32 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HB2 PHE 23 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (7.18, 3.15, 39.32 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * QE PHE 23 + HB2 PHE 23 OK 100 100 100 100 4.4-4.5 4.4=100 HZ PHE 52 + HB2 PHE 23 OK 90 100 90 100 3.5-4.9 2.2/4746=69, ~4630=61...(7) Violated in 0 structures by 0.00 A. Peak 1505 from cnoeabs.peaks (7.06, 3.15, 39.32 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + HB2 PHE 23 OK 100 100 100 100 2.3-2.7 2.4=100 Violated in 0 structures by 0.00 A. Peak 1506 from cnoeabs.peaks (8.99, 3.08, 39.32 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HB3 PHE 23 OK 100 100 100 100 2.5-2.8 566=100, 565/1.8=74...(6) Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (4.76, 3.08, 39.32 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + HB3 PHE 23 OK 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1508 from cnoeabs.peaks (3.15, 3.08, 39.32 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 23 + HB3 PHE 23 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 61 - HB3 PHE 23 far 0 95 0 - 9.2-19.2 HD3 ARG 61 - HB3 PHE 23 far 0 95 0 - 9.5-19.5 Violated in 0 structures by 0.00 A. Peak 1509 from cnoeabs.peaks (3.08, 3.08, 39.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HB3 PHE 23 OK 100 100 - 100 Peak 1510 from cnoeabs.peaks (7.18, 3.08, 39.32 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 23 + HB3 PHE 23 OK 100 100 100 100 4.4-4.4 4.4=100 HZ PHE 52 - HB3 PHE 23 far 0 100 0 - 5.0-6.4 Violated in 0 structures by 0.00 A. Peak 1511 from cnoeabs.peaks (7.06, 3.08, 39.32 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + HB3 PHE 23 OK 100 100 100 100 2.3-2.5 2.4=100 Violated in 0 structures by 0.00 A. Peak 1516 from cnoeabs.peaks (7.18, 7.18, 130.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: * QE PHE 23 + QE PHE 23 OK 92 92 - 100 Peak 1517 from cnoeabs.peaks (7.06, 7.18, 130.60 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.94: * QD PHE 23 + QE PHE 23 OK 94 94 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (4.76, 7.06, 132.51 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.97: * HA PHE 23 + QD PHE 23 OK 97 97 100 100 2.2-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 1520 from cnoeabs.peaks (3.15, 7.06, 132.51 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.97: * HB2 PHE 23 + QD PHE 23 OK 97 97 100 100 2.3-2.7 2.4=100 HD2 ARG 61 - QD PHE 23 far 0 89 0 - 6.8-15.8 HD3 ARG 61 - QD PHE 23 far 0 89 0 - 7.1-15.8 HB3 TYR 57 - QD PHE 23 far 0 90 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (3.08, 7.06, 132.51 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.97: * HB3 PHE 23 + QD PHE 23 OK 97 97 100 100 2.3-2.5 2.4=100 HB2 TYR 57 - QD PHE 23 far 0 86 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 1522 from cnoeabs.peaks (7.18, 7.06, 132.51 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.96: * QE PHE 23 + QD PHE 23 OK 96 96 100 100 2.2-2.2 2.2=100 HZ PHE 52 - QD PHE 23 far 5 97 5 - 3.8-4.8 Violated in 0 structures by 0.00 A. Peak 1523 from cnoeabs.peaks (7.06, 7.06, 132.51 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD PHE 23 + QD PHE 23 OK 97 97 - 100 Peak 1524 from cnoeabs.peaks (8.13, 4.08, 61.10 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + HA SER 24 OK 100 100 100 100 2.8-2.8 3.0=100 H LYS 27 - HA SER 24 far 0 99 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 1525 from cnoeabs.peaks (4.08, 4.08, 61.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 24 + HA SER 24 OK 100 100 - 100 Peak 1526 from cnoeabs.peaks (3.97, 4.08, 61.10 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.82: * HB2 SER 24 + HA SER 24 OK 76 100 80 95 2.3-3.0 3.0=84, 571/3.0=22...(11) HB3 SER 24 + HA SER 24 OK 24 100 25 97 2.5-3.0 3.0=84, 1.8/3715=51...(11) Violated in 0 structures by 0.00 A. Peak 1527 from cnoeabs.peaks (3.97, 4.08, 61.10 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.82: HB2 SER 24 + HA SER 24 OK 76 100 80 95 2.3-3.0 3.0=84, 571/3.0=22...(11) * HB3 SER 24 + HA SER 24 OK 24 100 25 97 2.5-3.0 3.0=84, 1.8/3715=51...(11) Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (8.13, 3.97, 63.03 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.97: * H SER 24 + HB2 SER 24 OK 89 100 95 93 2.3-3.5 571=53, 3.0/3715=45...(11) H SER 24 + HB3 SER 24 OK 77 100 80 97 2.2-3.6 4.0=52, 571/1.8=39...(11) H LYS 27 - HB3 SER 24 far 0 99 0 - 8.7-9.1 H LYS 27 - HB2 SER 24 far 0 99 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (4.08, 3.97, 63.03 ppm; 2.88 A): 2 out of 4 assignments used, quality = 0.83: * HA SER 24 + HB2 SER 24 OK 76 100 80 95 2.3-3.0 3.0=86, 3.0/571=22...(9) HA SER 24 + HB3 SER 24 OK 29 100 30 97 2.5-3.0 3.0=86, 1526/1.8=51...(9) HA ARG 21 - HB3 SER 24 far 0 99 0 - 3.1-5.0 HA ARG 21 - HB2 SER 24 far 0 99 0 - 3.2-4.9 Violated in 0 structures by 0.00 A. Peak 1530 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 Peak 1531 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 Reference assignment not found: HB3 SER 24 - HB2 SER 24 Peak 1532 from cnoeabs.peaks (8.13, 3.97, 63.03 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.97: H SER 24 + HB2 SER 24 OK 89 100 95 93 2.3-3.5 572=53, 3.0/3717=45...(11) * H SER 24 + HB3 SER 24 OK 77 100 80 97 2.2-3.6 4.0=52, 571/1.8=39...(11) H LYS 27 - HB3 SER 24 far 0 99 0 - 8.7-9.1 H LYS 27 - HB2 SER 24 far 0 99 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 1533 from cnoeabs.peaks (4.08, 3.97, 63.03 ppm; 2.88 A): 2 out of 4 assignments used, quality = 0.83: HA SER 24 + HB2 SER 24 OK 76 100 80 95 2.3-3.0 3.0=86, 3.0/572=22...(9) * HA SER 24 + HB3 SER 24 OK 29 100 30 97 2.5-3.0 3.0=86, 1526/1.8=51...(9) HA ARG 21 - HB3 SER 24 far 0 99 0 - 3.1-5.0 HA ARG 21 - HB2 SER 24 far 0 99 0 - 3.2-4.9 Violated in 0 structures by 0.00 A. Peak 1534 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 Reference assignment not found: HB2 SER 24 - HB3 SER 24 Peak 1535 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 Peak 1536 from cnoeabs.peaks (7.63, 4.70, 56.95 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 25 + HA HIS 25 OK 100 100 100 100 2.8-2.9 2.9=100 HE22 GLN 26 - HA HIS 25 far 0 97 0 - 5.9-8.4 Violated in 0 structures by 0.00 A. Peak 1537 from cnoeabs.peaks (4.70, 4.70, 56.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 25 + HA HIS 25 OK 100 100 - 100 Peak 1538 from cnoeabs.peaks (3.37, 4.70, 56.95 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HA HIS 25 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (3.31, 4.70, 56.95 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HA HIS 25 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (7.63, 3.37, 31.20 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 25 + HB2 HIS 25 OK 100 100 100 100 2.2-3.6 3.9=100 HE22 GLN 26 - HB2 HIS 25 far 15 97 15 - 3.6-6.9 Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (4.70, 3.37, 31.20 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + HB2 HIS 25 OK 100 100 100 100 2.5-3.0 3.0=100 HA TYR 28 - HB2 HIS 25 far 0 83 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (3.37, 3.37, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HB2 HIS 25 OK 100 100 - 100 Peak 1544 from cnoeabs.peaks (3.31, 3.37, 31.20 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HB2 HIS 25 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1545 from cnoeabs.peaks (7.30, 3.37, 31.20 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HB2 HIS 25 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1546 from cnoeabs.peaks (7.63, 3.31, 31.20 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 25 + HB3 HIS 25 OK 100 100 100 100 2.2-3.6 3.9=100 HE22 GLN 26 - HB3 HIS 25 poor 19 97 20 - 3.6-6.7 Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (4.70, 3.31, 31.20 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + HB3 HIS 25 OK 100 100 100 100 2.4-3.0 3.0=100 HA TYR 28 - HB3 HIS 25 far 0 83 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (3.37, 3.31, 31.20 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HB3 HIS 25 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (3.31, 3.31, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HB3 HIS 25 OK 100 100 - 100 Peak 1550 from cnoeabs.peaks (7.30, 3.31, 31.20 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HB3 HIS 25 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (7.30, 7.30, 120.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HD2 HIS 25 OK 100 100 - 100 Peak 1556 from cnoeabs.peaks (8.51, 4.49, 55.44 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + HA GLN 26 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 29 - HA GLN 26 far 0 100 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 1557 from cnoeabs.peaks (4.49, 4.49, 55.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 26 + HA GLN 26 OK 100 100 - 100 Peak 1558 from cnoeabs.peaks (2.02, 4.49, 55.44 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 26 + HA GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 GLN 26 + HA GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (2.02, 4.49, 55.44 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 26 + HA GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 * HB3 GLN 26 + HA GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1560 from cnoeabs.peaks (2.29, 4.49, 55.44 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 26 + HA GLN 26 OK 100 100 100 100 3.6-3.8 3.9=100 HG3 GLN 26 + HA GLN 26 OK 95 100 95 100 3.7-4.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 1561 from cnoeabs.peaks (2.29, 4.49, 55.44 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 26 + HA GLN 26 OK 100 100 100 100 3.6-3.8 3.9=100 * HG3 GLN 26 + HA GLN 26 OK 95 100 95 100 3.7-4.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 1564 from cnoeabs.peaks (8.51, 2.02, 31.80 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: H GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.2-3.5 3.9=100 * H GLN 26 + HB2 GLN 26 OK 100 100 100 100 3.9-4.0 3.9=100 H LEU 29 - HB2 GLN 26 far 0 100 0 - 5.9-6.6 H LEU 29 - HB3 GLN 26 far 0 100 0 - 7.0-7.9 H LEU 29 - HB3 ARG 56 far 0 72 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (4.49, 2.02, 31.80 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 HA GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 * HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Peak 1567 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Reference assignment not found: HB3 GLN 26 - HB2 GLN 26 Peak 1568 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 7 assignments used, quality = 1.00: HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 * HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 60 0 - 8.6-9.6 HB3 GLU 33 - HB3 GLN 26 far 0 60 0 - 8.7-9.6 HG2 GLU 67 - HB3 ARG 56 far 0 69 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 1569 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 63 0 - 8.6-9.6 HB3 GLU 33 - HB3 GLN 26 far 0 63 0 - 8.7-9.6 HG2 GLU 67 - HB3 ARG 56 far 0 68 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 1570 from cnoeabs.peaks (7.40, 2.02, 31.80 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: HE21 GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.8-4.6 4.6=100 * HE21 GLN 26 + HB2 GLN 26 OK 100 100 100 100 4.0-5.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 1571 from cnoeabs.peaks (7.64, 2.02, 31.80 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.99: HE22 GLN 26 + HB3 GLN 26 OK 99 100 100 99 3.2-4.3 4.6=78, 1.7/422=52...(11) * HE22 GLN 26 + HB2 GLN 26 OK 35 100 35 100 2.6-4.6 4.6=78, 430/1.8=58...(11) H HIS 25 - HB3 GLN 26 far 0 97 0 - 5.4-5.7 H HIS 25 - HB2 GLN 26 far 0 97 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 1572 from cnoeabs.peaks (8.51, 2.02, 31.80 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.2-3.5 3.9=100 H GLN 26 + HB2 GLN 26 OK 100 100 100 100 3.9-4.0 3.9=100 H LEU 29 - HB2 GLN 26 far 0 100 0 - 5.9-6.6 H LEU 29 - HB3 GLN 26 far 0 100 0 - 7.0-7.9 H LEU 29 - HB3 ARG 56 far 0 72 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 1573 from cnoeabs.peaks (4.49, 2.02, 31.80 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 * HA GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1574 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Reference assignment not found: HB2 GLN 26 - HB3 GLN 26 Peak 1575 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Peak 1576 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 7 assignments used, quality = 1.00: * HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 60 0 - 8.6-9.6 HB3 GLU 33 - HB3 GLN 26 far 0 60 0 - 8.7-9.6 HG2 GLU 67 - HB3 ARG 56 far 0 69 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 1577 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 7 assignments used, quality = 1.00: HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 * HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 63 0 - 8.6-9.6 HB3 GLU 33 - HB3 GLN 26 far 0 63 0 - 8.7-9.6 HG2 GLU 67 - HB3 ARG 56 far 0 68 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 1578 from cnoeabs.peaks (7.40, 2.02, 31.80 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.8-4.6 4.6=100 HE21 GLN 26 + HB2 GLN 26 OK 100 100 100 100 4.0-5.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 1579 from cnoeabs.peaks (7.64, 2.02, 31.80 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.99: * HE22 GLN 26 + HB3 GLN 26 OK 99 100 100 99 3.2-4.3 4.6=78, 1.7/422=52...(11) HE22 GLN 26 + HB2 GLN 26 OK 35 100 35 100 2.6-4.6 4.6=78, 430/1.8=58...(11) H HIS 25 - HB3 GLN 26 far 0 97 0 - 5.4-5.7 H HIS 25 - HB2 GLN 26 far 0 97 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (8.51, 2.29, 34.10 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 26 + HG2 GLN 26 OK 99 100 100 99 2.3-3.0 580/3.0=69, 4.9=59...(11) H GLN 26 + HG3 GLN 26 OK 94 100 95 99 3.4-4.4 580/3.0=69, 4.9=59...(9) H LEU 29 - HG3 GLN 26 far 5 100 5 - 4.1-5.1 H LEU 29 - HG2 GLN 26 far 0 100 0 - 4.8-6.7 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (4.49, 2.29, 34.10 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 26 + HG2 GLN 26 OK 100 100 100 100 3.6-3.8 3.9=93, 92/4.9=41...(16) HA GLN 26 + HG3 GLN 26 OK 95 100 95 100 3.7-4.2 3.9=93, 92/95=53...(17) Violated in 0 structures by 0.00 A. Peak 1582 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 * HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1583 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1584 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 Peak 1585 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 Reference assignment not found: HG3 GLN 26 - HG2 GLN 26 Peak 1586 from cnoeabs.peaks (7.40, 2.29, 34.10 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 26 + HG2 GLN 26 OK 100 100 100 100 3.4-4.1 3.5=100 HE21 GLN 26 + HG3 GLN 26 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1587 from cnoeabs.peaks (7.64, 2.29, 34.10 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: HE22 GLN 26 + HG3 GLN 26 OK 98 100 100 98 2.1-3.1 3.5=90, 431/1.8=31...(12) * HE22 GLN 26 + HG2 GLN 26 OK 74 100 75 99 2.1-3.5 3.5=90, 432/1.8=47...(12) H HIS 25 - HG2 GLN 26 far 0 97 0 - 4.6-5.5 H HIS 25 - HG3 GLN 26 far 0 97 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 1588 from cnoeabs.peaks (8.51, 2.29, 34.10 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: H GLN 26 + HG2 GLN 26 OK 99 100 100 99 2.3-3.0 580/3.0=69, 4.9=59...(11) * H GLN 26 + HG3 GLN 26 OK 94 100 95 99 3.4-4.4 580/3.0=69, 4.9=59...(9) H LEU 29 - HG3 GLN 26 far 5 100 5 - 4.1-5.1 H LEU 29 - HG2 GLN 26 far 0 100 0 - 4.8-6.7 Violated in 0 structures by 0.00 A. Peak 1589 from cnoeabs.peaks (4.49, 2.29, 34.10 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 26 + HG2 GLN 26 OK 100 100 100 100 3.6-3.8 3.9=93, 92/4.9=41...(16) * HA GLN 26 + HG3 GLN 26 OK 95 100 95 100 3.7-4.2 3.9=93, 92/96=53...(17) Violated in 0 structures by 0.00 A. Peak 1590 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.4 3.0=100 * HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1592 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 Reference assignment not found: HG2 GLN 26 - HG3 GLN 26 Peak 1593 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 Peak 1594 from cnoeabs.peaks (7.40, 2.29, 34.10 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 26 + HG3 GLN 26 OK 100 100 100 100 3.4-3.9 3.5=100 HE21 GLN 26 + HG2 GLN 26 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1595 from cnoeabs.peaks (7.64, 2.29, 34.10 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HE22 GLN 26 + HG3 GLN 26 OK 98 100 100 98 2.1-3.1 3.5=90, 431/1.8=31...(12) HE22 GLN 26 + HG2 GLN 26 OK 74 100 75 99 2.1-3.5 3.5=90, 432/1.8=47...(12) H HIS 25 - HG2 GLN 26 far 0 97 0 - 4.6-5.5 H HIS 25 - HG3 GLN 26 far 0 97 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 1596 from cnoeabs.peaks (8.12, 3.90, 56.76 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HA LYS 27 OK 100 100 100 100 2.9-2.9 3.0=100 H SER 24 - HA LYS 27 far 0 99 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 1597 from cnoeabs.peaks (3.90, 3.90, 56.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HA LYS 27 OK 100 100 - 100 Peak 1598 from cnoeabs.peaks (1.42, 3.90, 56.76 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 27 + HA LYS 27 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 LYS 49 - HA LYS 27 far 0 83 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1599 from cnoeabs.peaks (1.56, 3.90, 56.76 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HA LYS 27 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1600 from cnoeabs.peaks (0.63, 3.90, 56.76 ppm; 3.94 A increased from 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HA LYS 27 OK 100 100 100 100 2.9-3.8 3.7=100 HB2 ARG 55 - HA LYS 27 far 0 87 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 1601 from cnoeabs.peaks (1.16, 3.90, 56.76 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HA LYS 27 OK 100 100 100 100 2.8-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 1602 from cnoeabs.peaks (1.23, 3.90, 56.76 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HA LYS 27 OK 100 100 100 100 2.2-4.0 1647=79, 1.8/1603=56...(13) HB2 LEU 29 - HA LYS 27 far 0 96 0 - 8.0-8.7 Violated in 1 structures by 0.00 A. Peak 1603 from cnoeabs.peaks (1.33, 3.90, 56.76 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HA LYS 27 OK 100 100 100 100 2.1-3.2 1657=95, 1.8/1602=93...(13) Violated in 0 structures by 0.00 A. Peak 1606 from cnoeabs.peaks (8.12, 1.42, 32.95 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HB2 LYS 27 OK 100 100 100 100 3.6-3.7 4.0=100 H SER 24 - HB2 LYS 27 far 0 99 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 1607 from cnoeabs.peaks (3.90, 1.42, 32.95 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 SER 65 - HB2 LYS 27 far 0 63 0 - 9.4-23.9 Violated in 0 structures by 0.00 A. Peak 1608 from cnoeabs.peaks (1.42, 1.42, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HB2 LYS 27 OK 100 100 - 100 Peak 1609 from cnoeabs.peaks (1.56, 1.42, 32.95 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HB2 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1610 from cnoeabs.peaks (0.63, 1.42, 32.95 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 55 - HB2 LYS 27 far 0 87 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 1611 from cnoeabs.peaks (1.16, 1.42, 32.95 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1612 from cnoeabs.peaks (1.23, 1.42, 32.95 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.2-3.6 3.8=100 HB2 LEU 29 - HB2 LYS 27 far 0 96 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1613 from cnoeabs.peaks (1.33, 1.42, 32.95 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.1-3.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1616 from cnoeabs.peaks (8.12, 1.56, 32.95 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HB3 LYS 27 OK 100 100 100 100 2.5-2.7 589=100, 588/1.8=79...(10) H SER 24 - HB3 LYS 27 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 1617 from cnoeabs.peaks (3.90, 1.56, 32.95 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HB3 LYS 27 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 65 - HB3 LYS 27 far 0 63 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 1618 from cnoeabs.peaks (1.42, 1.56, 32.95 ppm; 2.82 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 62 - HB3 LYS 27 far 0 92 0 - 9.1-19.1 HG3 LYS 62 - HB3 LYS 27 far 0 92 0 - 9.2-19.8 HG3 LYS 49 - HB3 LYS 27 far 0 83 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 1619 from cnoeabs.peaks (1.56, 1.56, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HB3 LYS 27 OK 100 100 - 100 Peak 1620 from cnoeabs.peaks (0.63, 1.56, 32.95 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 ARG 55 - HB3 LYS 27 far 0 87 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 1621 from cnoeabs.peaks (1.16, 1.56, 32.95 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HB3 LYS 27 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1622 from cnoeabs.peaks (1.23, 1.56, 32.95 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 3.5-4.2 3.8=100 HB2 LEU 29 - HB3 LYS 27 far 0 96 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (1.33, 1.56, 32.95 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HB3 LYS 27 OK 100 100 100 100 3.4-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 1624 from cnoeabs.peaks (2.84, 1.56, 32.95 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 3.6-4.8 5.2=98, ~1658=72...(7) HD3 ARG 56 + HB3 LYS 27 OK 81 99 85 96 3.5-6.0 4668/4670=73, ~4198=68...(7) Violated in 0 structures by 0.00 A. Peak 1626 from cnoeabs.peaks (8.12, 0.63, 24.91 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.1-3.7 590=100, 591/1.8=96...(10) H SER 24 - HG2 LYS 27 far 0 99 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (3.90, 0.63, 24.91 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.9-3.8 3.7=100 HB2 SER 65 - HG2 LYS 27 far 0 63 0 - 8.2-24.2 Violated in 0 structures by 0.00 A. Peak 1628 from cnoeabs.peaks (1.42, 0.63, 24.91 ppm; 4.19 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 62 - HG2 LYS 27 far 0 92 0 - 9.1-19.8 HG2 LYS 62 - HG2 LYS 27 far 0 92 0 - 9.1-18.1 HG2 LYS 60 - HG2 LYS 27 far 0 99 0 - 9.3-16.7 Violated in 0 structures by 0.00 A. Peak 1629 from cnoeabs.peaks (1.56, 0.63, 24.91 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (0.63, 0.63, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HG2 LYS 27 OK 100 100 - 100 Peak 1631 from cnoeabs.peaks (1.16, 0.63, 24.91 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HG2 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (1.23, 0.63, 24.91 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.6-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1633 from cnoeabs.peaks (1.33, 0.63, 24.91 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1634 from cnoeabs.peaks (2.84, 0.63, 24.91 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.1-3.3 3.8=100 HD3 ARG 56 + HG2 LYS 27 OK 25 99 30 83 3.5-7.6 ~4198=47, 1624/3.0=27...(7) Violated in 0 structures by 0.00 A. Peak 1635 from cnoeabs.peaks (2.76, 0.63, 24.91 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 1636 from cnoeabs.peaks (8.12, 1.16, 24.91 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.1-3.6 591=100, 590/1.8=86...(11) H SER 24 - HG3 LYS 27 far 0 99 0 - 6.9-9.8 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (3.90, 1.16, 24.91 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.8-3.9 3.7=100 HB2 SER 65 - HG3 LYS 27 far 0 63 0 - 8.7-22.8 Violated in 0 structures by 0.00 A. Peak 1638 from cnoeabs.peaks (1.42, 1.16, 24.91 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 62 - HG3 LYS 27 far 0 92 0 - 7.4-17.8 HG3 LYS 62 - HG3 LYS 27 far 0 92 0 - 7.7-18.4 HG2 LYS 60 - HG3 LYS 27 far 0 99 0 - 8.9-16.1 HG3 LYS 60 - HG3 LYS 27 far 0 98 0 - 9.5-15.9 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (1.56, 1.16, 24.91 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (0.63, 1.16, 24.91 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 55 - HG3 LYS 27 far 0 87 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 1641 from cnoeabs.peaks (1.16, 1.16, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HG3 LYS 27 OK 100 100 - 100 Peak 1642 from cnoeabs.peaks (1.23, 1.16, 24.91 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.3-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 1643 from cnoeabs.peaks (1.33, 1.16, 24.91 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.7-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1644 from cnoeabs.peaks (2.84, 1.16, 24.91 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.3-3.7 3.8=100 HD3 ARG 56 + HG3 LYS 27 OK 38 99 50 77 3.4-6.3 ~4198=45, 1624/3.0=25...(7) Violated in 0 structures by 0.00 A. Peak 1645 from cnoeabs.peaks (2.76, 1.16, 24.91 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.8-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1646 from cnoeabs.peaks (8.12, 1.23, 28.52 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HD2 LYS 27 OK 100 100 100 100 3.2-4.7 592=100, 591/2.9=90...(9) H SER 24 - HD2 LYS 27 far 0 99 0 - 5.8-8.7 Violated in 0 structures by 0.00 A. Peak 1647 from cnoeabs.peaks (3.90, 1.23, 28.52 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.2-4.0 1602=100, 1603/1.8=67...(13) HB2 SER 65 - HD2 LYS 27 far 0 63 0 - 9.9-22.3 Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (1.42, 1.23, 28.52 ppm; 4.28 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.2-3.6 3.8=100 HG2 LYS 60 - HD2 LYS 27 far 0 99 0 - 7.3-14.0 HG3 LYS 60 - HD2 LYS 27 far 0 98 0 - 8.2-14.6 HG2 LYS 62 - HD2 LYS 27 far 0 92 0 - 8.3-16.8 HG3 LYS 62 - HD2 LYS 27 far 0 92 0 - 8.3-17.3 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.56, 1.23, 28.52 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 27 + HD2 LYS 27 OK 100 100 100 100 3.5-4.2 3.8=100 HD3 LYS 58 - HD2 LYS 27 far 0 83 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (0.63, 1.23, 28.52 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 ARG 55 - HD2 LYS 27 far 0 87 0 - 5.8-8.1 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (1.16, 1.23, 28.52 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.3-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 1652 from cnoeabs.peaks (1.23, 1.23, 28.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HD2 LYS 27 OK 100 100 - 100 Peak 1653 from cnoeabs.peaks (1.33, 1.23, 28.52 ppm; 2.56 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HD2 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 58 - HD2 LYS 27 far 0 68 0 - 9.0-14.8 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (2.84, 1.23, 28.52 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD2 LYS 27 poor 18 99 35 52 3.1-5.9 1624/3.8=16...(6) Violated in 0 structures by 0.00 A. Peak 1655 from cnoeabs.peaks (2.76, 1.23, 28.52 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (8.12, 1.33, 28.52 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 27 + HD3 LYS 27 OK 100 100 100 100 3.2-4.8 593=100, 591/2.9=91...(9) H SER 24 - HD3 LYS 27 far 0 99 0 - 5.7-8.0 H THR 46 - HG2 ARG 34 far 0 37 0 - 5.7-6.8 Violated in 0 structures by 0.00 A. Peak 1657 from cnoeabs.peaks (3.90, 1.33, 28.52 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.1-3.2 1603=100, 1602/1.8=95...(13) HA THR 46 - HG2 ARG 34 far 0 56 0 - 5.7-7.3 HD2 PRO 32 - HG2 ARG 34 far 0 51 0 - 8.4-9.0 HB2 SER 65 - HD3 LYS 27 far 0 63 0 - 9.1-23.8 Violated in 0 structures by 0.00 A. Peak 1658 from cnoeabs.peaks (1.42, 1.33, 28.52 ppm; 3.20 A): 1 out of 7 assignments used, quality = 0.90: * HB2 LYS 27 + HD3 LYS 27 OK 90 100 100 90 2.1-3.2 3.8=62, 3.0/1603=28...(8) HG3 LYS 49 - HG2 ARG 34 far 0 40 0 - 6.3-7.7 HG2 LYS 60 - HD3 LYS 27 far 0 99 0 - 7.9-14.6 HG2 LYS 39 - HG2 ARG 34 far 0 49 0 - 8.6-10.2 HG3 LYS 60 - HD3 LYS 27 far 0 98 0 - 9.0-14.3 HG2 LYS 62 - HD3 LYS 27 far 0 92 0 - 9.6-17.6 HG3 LYS 62 - HD3 LYS 27 far 0 92 0 - 9.9-18.6 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (1.56, 1.33, 28.52 ppm; 3.14 A): 1 out of 7 assignments used, quality = 0.31: HG3 ARG 34 + HG2 ARG 34 OK 31 31 100 100 1.8-1.8 1.8=100 ! HB3 LYS 27 - HD3 LYS 27 far 0 100 0 - 3.4-3.9 HG LEU 37 - HG2 ARG 34 far 0 56 0 - 6.0-7.2 HG2 LYS 49 - HG2 ARG 34 far 0 50 0 - 6.2-8.6 QB ALA 31 - HG2 ARG 34 far 0 55 0 - 6.2-6.8 HG3 LYS 39 - HG2 ARG 34 far 0 46 0 - 7.9-10.3 HD3 LYS 58 - HD3 LYS 27 far 0 83 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (0.63, 1.33, 28.52 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 55 - HD3 LYS 27 far 0 87 0 - 5.6-7.4 QD1 LEU 43 - HG2 ARG 34 far 0 35 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 1661 from cnoeabs.peaks (1.16, 1.33, 28.52 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.7-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1662 from cnoeabs.peaks (1.23, 1.33, 28.52 ppm; 2.57 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 27 + HD3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 29 - HG2 ARG 34 far 0 49 0 - 5.3-5.6 QG2 THR 46 - HG2 ARG 34 far 0 40 0 - 7.2-8.5 HB2 LEU 43 - HG2 ARG 34 far 0 55 0 - 7.3-8.1 HG LEU 19 - HG2 ARG 34 far 0 51 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (1.33, 1.33, 28.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HD3 LYS 27 OK 100 100 - 100 HG2 ARG 34 + HG2 ARG 34 OK 53 53 - 100 Peak 1664 from cnoeabs.peaks (2.84, 1.33, 28.52 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD3 LYS 27 poor 15 99 30 52 2.3-7.2 1624/3.8=17, 1644/2.9=14...(6) Violated in 0 structures by 0.00 A. Peak 1665 from cnoeabs.peaks (2.76, 1.33, 28.52 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 40 - HG2 ARG 34 far 0 56 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (0.63, 2.84, 42.40 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HE2 LYS 27 OK 100 100 100 100 2.1-3.3 3.8=100 HB2 ARG 55 - HE2 LYS 27 far 0 87 0 - 6.4-9.6 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (1.16, 2.84, 42.40 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HE2 LYS 27 OK 100 100 100 100 2.3-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (1.23, 2.84, 42.40 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HE2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.33, 2.84, 42.40 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HE2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 58 - HE2 LYS 27 far 0 68 0 - 9.2-16.0 Violated in 0 structures by 0.00 A. Peak 1674 from cnoeabs.peaks (2.84, 2.84, 42.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HE2 LYS 27 OK 100 100 - 100 Peak 1675 from cnoeabs.peaks (2.76, 2.84, 42.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HE2 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1678 from cnoeabs.peaks (1.42, 2.76, 42.40 ppm; 6.00 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 3.6-4.8 5.2=100 HG2 LYS 62 - HE3 LYS 27 far 0 92 0 - 7.1-16.5 HG2 LYS 60 - HE3 LYS 27 far 0 99 0 - 7.5-14.2 HG3 LYS 60 - HE3 LYS 27 far 0 98 0 - 8.0-14.2 HG3 LYS 62 - HE3 LYS 27 far 0 92 0 - 8.0-16.8 Violated in 0 structures by 0.00 A. Peak 1680 from cnoeabs.peaks (0.63, 2.76, 42.40 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 2.8-3.8 3.8=100 HB2 ARG 55 - HE3 LYS 27 far 0 87 0 - 5.0-8.3 Violated in 0 structures by 0.00 A. Peak 1681 from cnoeabs.peaks (1.16, 2.76, 42.40 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HE3 LYS 27 OK 100 100 100 100 2.8-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1682 from cnoeabs.peaks (1.23, 2.76, 42.40 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (1.33, 2.76, 42.40 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HE3 LYS 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 58 - HE3 LYS 27 far 0 68 0 - 7.9-14.4 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (2.84, 2.76, 42.40 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 56 - HE3 LYS 27 far 0 99 0 - 4.1-8.0 Violated in 0 structures by 0.00 A. Peak 1685 from cnoeabs.peaks (2.76, 2.76, 42.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HE3 LYS 27 OK 100 100 - 100 Peak 1686 from cnoeabs.peaks (7.50, 4.72, 56.38 ppm; 5.86 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 28 + HA TYR 28 OK 100 100 100 100 2.9-2.9 3.0=100 QE PHE 52 - HA TYR 28 poor 16 68 100 24 4.1-5.4 109/110=22 HE22 GLN 53 - HA TYR 28 far 0 100 0 - 8.6-13.1 Violated in 0 structures by 0.00 A. Peak 1687 from cnoeabs.peaks (4.72, 4.72, 56.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + HA TYR 28 OK 100 100 - 100 Peak 1688 from cnoeabs.peaks (2.95, 4.72, 56.38 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + HA TYR 28 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 22 - HA TYR 28 far 0 100 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (2.72, 4.72, 56.38 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + HA TYR 28 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 56 - HA TYR 28 far 0 100 0 - 5.8-9.1 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (7.13, 4.72, 56.38 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.98: * QD TYR 28 + HA TYR 28 OK 98 100 100 98 2.3-3.1 3.7=93, 4662/3.0=58, 4.5/110=39 Violated in 0 structures by 0.00 A. Peak 1692 from cnoeabs.peaks (7.50, 2.95, 41.18 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 28 + HB2 TYR 28 OK 100 100 100 100 2.3-3.7 3.9=100 QE PHE 52 - HB2 TYR 28 far 0 68 0 - 6.4-7.5 HE22 GLN 53 - HB2 TYR 28 far 0 100 0 - 9.1-14.5 Violated in 0 structures by 0.00 A. Peak 1693 from cnoeabs.peaks (4.72, 2.95, 41.18 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + HB2 TYR 28 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (2.95, 2.95, 41.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + HB2 TYR 28 OK 100 100 - 100 Peak 1695 from cnoeabs.peaks (2.72, 2.95, 41.18 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + HB2 TYR 28 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 56 - HB2 TYR 28 far 0 100 0 - 7.5-10.2 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (6.79, 2.95, 41.18 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + HB2 TYR 28 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (7.13, 2.95, 41.18 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + HB2 TYR 28 OK 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (7.50, 2.72, 41.18 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 28 + HB3 TYR 28 OK 100 100 100 100 2.3-3.6 3.9=100 QE PHE 52 - HB3 TYR 28 far 0 68 0 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (4.72, 2.72, 41.18 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + HB3 TYR 28 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1700 from cnoeabs.peaks (2.95, 2.72, 41.18 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + HB3 TYR 28 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 22 - HB3 TYR 28 far 0 100 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 1701 from cnoeabs.peaks (2.72, 2.72, 41.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 28 + HB3 TYR 28 OK 100 100 - 100 Peak 1702 from cnoeabs.peaks (6.79, 2.72, 41.18 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + HB3 TYR 28 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 1703 from cnoeabs.peaks (7.13, 2.72, 41.18 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + HB3 TYR 28 OK 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 1706 from cnoeabs.peaks (2.95, 6.79, 117.91 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.92: * HB2 TYR 28 + QE TYR 28 OK 92 92 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 1707 from cnoeabs.peaks (2.72, 6.79, 117.91 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.97: * HB3 TYR 28 + QE TYR 28 OK 92 92 100 100 4.4-4.5 4.4=100 HD2 ARG 56 + QE TYR 28 OK 60 91 70 94 3.4-5.1 1.8/4668=87...(4) Violated in 0 structures by 0.00 A. Peak 1708 from cnoeabs.peaks (6.79, 6.79, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: * QE TYR 28 + QE TYR 28 OK 92 92 - 100 Peak 1709 from cnoeabs.peaks (7.13, 6.79, 117.91 ppm; 2.99 A): 1 out of 2 assignments used, quality = 0.92: * QD TYR 28 + QE TYR 28 OK 92 92 100 100 2.2-2.2 2.2=100 QD TYR 57 - QE TYR 28 far 0 73 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 1712 from cnoeabs.peaks (2.95, 7.13, 133.60 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-2.7 2.5=100 HE3 LYS 22 - QD TYR 28 far 0 99 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (2.72, 7.13, 133.60 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-2.7 2.5=100 HD2 ARG 56 + QD TYR 28 OK 44 99 45 98 4.0-6.7 ~4668=78, ~4215=64...(5) Violated in 0 structures by 0.00 A. Peak 1714 from cnoeabs.peaks (6.79, 7.13, 133.60 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + QD TYR 28 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 1715 from cnoeabs.peaks (7.13, 7.13, 133.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + QD TYR 28 OK 100 100 - 100 Peak 1717 from cnoeabs.peaks (4.58, 4.58, 53.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 Peak 1718 from cnoeabs.peaks (1.24, 4.58, 53.06 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.6-2.7 3.0=100 HD2 LYS 27 - HA LEU 29 far 0 96 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 1719 from cnoeabs.peaks (1.46, 4.58, 53.06 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 35 - HA LEU 29 far 0 71 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (0.74, 4.58, 53.06 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 2.7-3.0 3.7=100 QD1 LEU 41 - HA LEU 29 far 0 78 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (0.15, 4.58, 53.06 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (0.46, 4.58, 53.06 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.0-2.3 1752=96, 4196/4191=39...(13) Violated in 0 structures by 0.00 A. Peak 1723 from cnoeabs.peaks (8.50, 1.24, 44.31 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.5-3.6 4.0=100 H GLN 26 - HB2 LEU 29 far 0 100 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (4.58, 1.24, 44.31 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.6-2.7 3.0=100 HA SER 30 - HB2 LEU 29 far 0 57 0 - 4.3-4.6 Violated in 0 structures by 0.00 A. Peak 1725 from cnoeabs.peaks (1.24, 1.24, 44.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 1726 from cnoeabs.peaks (1.46, 1.24, 44.31 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 35 - HB2 LEU 29 far 0 71 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (0.74, 1.24, 44.31 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 QD1 LEU 41 - HB2 LEU 29 far 0 78 0 - 8.5-9.1 QD2 LEU 41 - HB2 LEU 29 far 0 99 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 1728 from cnoeabs.peaks (0.15, 1.24, 44.31 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.4-2.5 3.1=100 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (0.46, 1.24, 44.31 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.2-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 1730 from cnoeabs.peaks (8.50, 1.46, 44.31 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.2-2.4 4.0=100 H GLN 26 - HB3 LEU 29 far 0 100 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 1731 from cnoeabs.peaks (4.58, 1.46, 44.31 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 30 - HB3 LEU 29 far 0 57 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 1732 from cnoeabs.peaks (1.24, 1.46, 44.31 ppm; 2.84 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 27 - HB3 LEU 29 far 0 96 0 - 9.3-11.5 HG LEU 19 - HB3 LEU 29 far 0 100 0 - 9.8-10.7 QG2 THR 46 - HB3 LEU 29 far 0 99 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1733 from cnoeabs.peaks (1.46, 1.46, 44.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 Peak 1734 from cnoeabs.peaks (0.74, 1.46, 44.31 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.5-2.6 3.0=100 QD1 LEU 41 - HB3 LEU 29 far 0 78 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 1735 from cnoeabs.peaks (0.15, 1.46, 44.31 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.2-2.3 3.1=100 Violated in 0 structures by 0.00 A. Peak 1736 from cnoeabs.peaks (0.46, 1.46, 44.31 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (8.50, 0.74, 26.77 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HG LEU 29 OK 100 100 100 100 3.1-3.6 5.2=100 H GLN 26 - HG LEU 29 far 5 100 5 - 5.4-6.2 Violated in 0 structures by 0.00 A. Peak 1739 from cnoeabs.peaks (1.24, 0.74, 26.77 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 LYS 27 - HG LEU 29 far 0 96 0 - 7.4-9.9 HG LEU 19 - HG LEU 29 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (1.46, 0.74, 26.77 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.5-2.6 3.0=100 HG3 ARG 56 - HG LEU 29 far 0 99 0 - 8.4-9.5 QB ALA 35 - HG LEU 29 far 0 71 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (0.74, 0.74, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 Peak 1742 from cnoeabs.peaks (0.15, 0.74, 26.77 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1743 from cnoeabs.peaks (0.46, 0.74, 26.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1744 from cnoeabs.peaks (8.50, 0.15, 26.45 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.8-4.2 4.8=100 H GLN 26 - QD1 LEU 29 far 0 100 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 1745 from cnoeabs.peaks (4.58, 0.15, 26.45 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.8-3.9 4.0=100 HA SER 30 - QD1 LEU 29 far 0 57 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 1746 from cnoeabs.peaks (1.24, 0.15, 26.45 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.4-2.5 3.1=100 HG LEU 19 - QD1 LEU 29 far 0 100 0 - 6.1-6.9 HD2 LYS 27 - QD1 LEU 29 far 0 96 0 - 7.6-9.9 HB2 LEU 43 - QD1 LEU 29 far 0 89 0 - 7.6-8.4 QG2 THR 46 - QD1 LEU 29 far 0 99 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 1747 from cnoeabs.peaks (1.46, 0.15, 26.45 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.2-2.3 3.1=100 QB ALA 35 - QD1 LEU 29 far 0 71 0 - 6.2-6.3 HG3 ARG 56 - QD1 LEU 29 far 0 99 0 - 7.7-9.3 HG LEU 43 - QD1 LEU 29 far 0 97 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1748 from cnoeabs.peaks (0.74, 0.15, 26.45 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 41 - QD1 LEU 29 far 0 78 0 - 5.1-5.7 QD2 LEU 41 - QD1 LEU 29 far 0 99 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (0.15, 0.15, 26.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 Peak 1750 from cnoeabs.peaks (0.46, 0.15, 26.45 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1751 from cnoeabs.peaks (8.50, 0.46, 23.31 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 100 100 100 100 4.0-4.2 608=100, 2.9/1722=87...(7) H GLN 26 - QD2 LEU 29 poor 20 100 20 - 4.5-5.5 Violated in 0 structures by 0.00 A. Peak 1752 from cnoeabs.peaks (4.58, 0.46, 23.31 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-2.3 1722=100, 4191/4196=40...(13) HA SER 30 - QD2 LEU 29 far 0 57 0 - 4.8-5.3 Violated in 0 structures by 0.00 A. Peak 1753 from cnoeabs.peaks (1.24, 0.46, 23.31 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.2-2.4 3.1=100 HD2 LYS 27 - QD2 LEU 29 far 0 96 0 - 7.0-9.6 HG LEU 19 - QD2 LEU 29 far 0 100 0 - 7.8-8.8 HB2 LEU 43 - QD2 LEU 29 far 0 89 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1754 from cnoeabs.peaks (1.46, 0.46, 23.31 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 3.2-3.2 3.1=100 QB ALA 35 - QD2 LEU 29 far 0 71 0 - 6.5-7.3 HG3 ARG 56 - QD2 LEU 29 far 0 99 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 1755 from cnoeabs.peaks (0.74, 0.46, 23.31 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 41 - QD2 LEU 29 far 0 78 0 - 6.5-7.5 QD2 LEU 41 - QD2 LEU 29 far 0 99 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 1756 from cnoeabs.peaks (0.15, 0.46, 23.31 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1757 from cnoeabs.peaks (0.46, 0.46, 23.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 1758 from cnoeabs.peaks (8.98, 4.55, 56.86 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HA SER 30 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1759 from cnoeabs.peaks (4.55, 4.55, 56.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 30 + HA SER 30 OK 100 100 - 100 Peak 1760 from cnoeabs.peaks (4.01, 4.55, 56.86 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 30 + HA SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 35 - HA SER 30 far 0 60 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (4.22, 4.55, 56.86 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + HA SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 31 - HA SER 30 far 0 95 0 - 4.3-4.3 Violated in 0 structures by 0.00 A. Peak 1762 from cnoeabs.peaks (8.98, 4.01, 64.90 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HB2 SER 30 OK 100 100 100 100 2.7-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1763 from cnoeabs.peaks (4.55, 4.01, 64.90 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 30 + HB2 SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 29 - HB2 SER 30 far 0 57 0 - 5.0-5.6 Violated in 0 structures by 0.00 A. Peak 1764 from cnoeabs.peaks (4.01, 4.01, 64.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 30 + HB2 SER 30 OK 100 100 - 100 Peak 1765 from cnoeabs.peaks (4.22, 4.01, 64.90 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + HB2 SER 30 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 31 - HB2 SER 30 far 0 95 0 - 4.9-5.1 Violated in 0 structures by 0.00 A. Peak 1766 from cnoeabs.peaks (8.98, 4.22, 64.90 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HB3 SER 30 OK 100 100 100 100 2.9-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (4.55, 4.22, 64.90 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 30 + HB3 SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 29 - HB3 SER 30 far 0 57 0 - 5.2-5.7 Violated in 0 structures by 0.00 A. Peak 1768 from cnoeabs.peaks (4.01, 4.22, 64.90 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 30 + HB3 SER 30 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 35 - HB3 SER 30 far 0 60 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 1769 from cnoeabs.peaks (4.22, 4.22, 64.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 30 + HB3 SER 30 OK 100 100 - 100 Peak 1770 from cnoeabs.peaks (9.18, 4.21, 57.19 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HA ALA 31 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1771 from cnoeabs.peaks (4.21, 4.21, 57.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + HA ALA 31 OK 100 100 - 100 Peak 1772 from cnoeabs.peaks (1.56, 4.21, 57.19 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 31 + HA ALA 31 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 34 - HA ALA 31 far 0 63 0 - 6.3-6.6 HG2 LYS 49 - HA ALA 31 far 0 95 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 1773 from cnoeabs.peaks (9.18, 1.56, 15.32 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + QB ALA 31 OK 100 100 100 100 2.0-2.1 2.9=100 Violated in 0 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (4.21, 1.56, 15.32 ppm; 2.87 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 31 + QB ALA 31 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 30 - QB ALA 31 far 0 95 0 - 3.8-4.3 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (1.56, 1.56, 15.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 31 + QB ALA 31 OK 100 100 - 100 Peak 1776 from cnoeabs.peaks (4.38, 3.91, 50.04 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HD2 PRO 32 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1777 from cnoeabs.peaks (1.80, 3.91, 50.04 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HD2 PRO 32 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1778 from cnoeabs.peaks (2.31, 3.91, 50.04 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 32 + HD2 PRO 32 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 33 - HD2 PRO 32 far 0 98 0 - 5.6-5.9 HG2 GLU 33 - HD2 PRO 32 far 0 92 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 1779 from cnoeabs.peaks (1.98, 3.91, 50.04 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HD2 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1780 from cnoeabs.peaks (2.10, 3.91, 50.04 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + HD2 PRO 32 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 GLU 45 - HD2 PRO 32 far 0 65 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 1781 from cnoeabs.peaks (3.91, 3.91, 50.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HD2 PRO 32 OK 100 100 - 100 Peak 1782 from cnoeabs.peaks (3.80, 3.91, 50.04 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HD2 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HA ARG 34 - HD2 PRO 32 far 0 97 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (4.38, 3.80, 50.04 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HD3 PRO 32 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 1784 from cnoeabs.peaks (1.80, 3.80, 50.04 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HD3 PRO 32 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1785 from cnoeabs.peaks (2.31, 3.80, 50.04 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 32 + HD3 PRO 32 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 GLU 33 + HD3 PRO 32 OK 70 98 90 79 4.0-4.3 128/3448=50...(5) HG2 GLU 33 - HD3 PRO 32 far 0 92 0 - 5.1-6.0 Violated in 0 structures by 0.00 A. Peak 1786 from cnoeabs.peaks (1.98, 3.80, 50.04 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HD3 PRO 32 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1787 from cnoeabs.peaks (2.10, 3.80, 50.04 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + HD3 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLU 45 - HD3 PRO 32 far 0 65 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 1788 from cnoeabs.peaks (3.91, 3.80, 50.04 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HD3 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1789 from cnoeabs.peaks (3.80, 3.80, 50.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HD3 PRO 32 OK 100 100 - 100 Peak 1790 from cnoeabs.peaks (4.38, 4.38, 65.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PRO 32 + HA PRO 32 OK 100 100 - 100 HB2 SER 12 + HB2 SER 12 OK 70 70 - 100 Peak 1791 from cnoeabs.peaks (1.80, 4.38, 65.82 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HA PRO 32 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1792 from cnoeabs.peaks (2.31, 4.38, 65.82 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 32 + HA PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLN 15 - HB2 SER 12 far 0 67 0 - 4.5-6.9 HB3 GLU 33 - HA PRO 32 far 0 98 0 - 5.6-5.7 HG2 GLU 33 - HA PRO 32 far 0 92 0 - 6.2-7.4 Violated in 0 structures by 0.00 A. Peak 1793 from cnoeabs.peaks (1.98, 4.38, 65.82 ppm; 4.16 A increased from 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HG2 PRO 32 + HA PRO 32 OK 100 100 100 100 4.0-4.0 3.8=100 HB2 MET 11 - HB2 SER 12 far 9 61 15 - 3.9-6.0 HB2 GLU 18 - HB2 SER 12 far 0 63 0 - 7.0-9.8 HB3 GLU 18 - HB2 SER 12 far 0 63 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 1794 from cnoeabs.peaks (2.10, 4.38, 65.82 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HG3 PRO 32 + HA PRO 32 OK 100 100 100 100 3.9-3.9 3.8=100 HB VAL 16 - HB2 SER 12 far 0 46 0 - 5.6-7.4 HG3 GLU 45 - HA PRO 32 far 0 65 0 - 6.1-7.5 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (3.91, 4.38, 65.82 ppm; 3.63 A increased from 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HA PRO 32 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1796 from cnoeabs.peaks (3.80, 4.38, 65.82 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 32 + HA PRO 32 OK 100 100 100 100 4.1-4.1 3.6=100 HA GLN 15 + HB2 SER 12 OK 54 71 85 90 4.0-6.2 ~4740=42, ~4803=36...(7) HA THR 14 - HB2 SER 12 far 0 64 0 - 5.2-6.3 HA ARG 34 - HA PRO 32 far 0 97 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 1797 from cnoeabs.peaks (4.38, 1.80, 30.88 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 32 + HB2 PRO 32 OK 100 100 100 100 2.7-2.7 2.3=100 HA LEU 64 - HB2 ARG 61 far 0 45 0 - 6.6-12.4 HA LEU 68 - HB2 ARG 61 far 0 35 0 - 7.0-21.6 Violated in 0 structures by 0.00 A. Peak 1798 from cnoeabs.peaks (1.80, 1.80, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 32 + HB2 PRO 32 OK 100 100 - 100 HB2 ARG 61 + HB2 ARG 61 OK 38 38 - 100 Peak 1799 from cnoeabs.peaks (2.31, 1.80, 30.88 ppm; 2.75 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 32 + HB2 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 33 - HB2 PRO 32 far 0 92 0 - 4.7-6.2 HB3 GLU 33 - HB2 PRO 32 far 0 98 0 - 5.2-5.5 HG2 GLU 67 - HB2 ARG 61 far 0 23 0 - 8.5-19.0 Violated in 0 structures by 0.00 A. Peak 1800 from cnoeabs.peaks (1.98, 1.80, 30.88 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 32 + HB2 PRO 32 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 GLN 63 - HB2 ARG 61 far 2 38 5 - 3.4-10.2 HB3 GLU 67 - HB2 ARG 61 far 0 30 0 - 8.3-20.4 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (2.10, 1.80, 30.88 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HG3 PRO 32 + HB2 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 GLN 63 - HB2 ARG 61 far 0 32 0 - 3.9-10.9 HB2 GLU 67 - HB2 ARG 61 far 0 41 0 - 7.6-20.6 HG3 GLU 45 - HB2 PRO 32 far 0 65 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (3.91, 1.80, 30.88 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 32 + HB2 PRO 32 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 65 - HB2 ARG 61 far 4 35 10 - 3.9-15.3 HA LYS 27 - HB2 ARG 61 far 0 43 0 - 8.9-18.2 HA GLN 53 - HB2 ARG 61 far 0 27 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 1803 from cnoeabs.peaks (3.80, 1.80, 30.88 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HB2 PRO 32 OK 100 100 100 100 4.0-4.0 3.0=100 HA ARG 34 - HB2 PRO 32 far 0 97 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 1804 from cnoeabs.peaks (4.38, 2.31, 30.88 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 32 + HB3 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HA PRO 32 - HB3 GLU 33 far 0 94 0 - 5.6-5.7 Violated in 0 structures by 0.00 A. Peak 1805 from cnoeabs.peaks (1.80, 2.31, 30.88 ppm; 2.77 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 32 + HB3 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 32 - HB3 GLU 33 far 0 94 0 - 5.2-5.5 HD2 LYS 22 - HB3 GLU 33 far 0 66 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 1806 from cnoeabs.peaks (2.31, 2.31, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 32 + HB3 PRO 32 OK 100 100 - 100 HB3 GLU 33 + HB3 GLU 33 OK 90 90 - 100 Peak 1807 from cnoeabs.peaks (1.98, 2.31, 30.88 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 32 + HB3 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 32 - HB3 GLU 33 far 0 94 0 - 5.6-6.0 HD3 LYS 22 - HB3 GLU 33 far 0 71 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 1808 from cnoeabs.peaks (2.10, 2.31, 30.88 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HG3 PRO 32 + HB3 PRO 32 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 32 - HB3 GLU 33 far 0 94 0 - 3.9-4.3 HG3 GLU 45 - HB3 GLU 33 far 0 57 0 - 8.1-9.1 HG3 GLU 45 - HB3 PRO 32 far 0 65 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 1809 from cnoeabs.peaks (3.91, 2.31, 30.88 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 32 + HB3 PRO 32 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 32 - HB3 GLU 33 far 0 94 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 1810 from cnoeabs.peaks (3.80, 2.31, 30.88 ppm; 4.64 A): 3 out of 4 assignments used, quality = 1.00: * HD3 PRO 32 + HB3 PRO 32 OK 100 100 100 100 3.9-3.9 3.0=100 HA ARG 34 + HB3 GLU 33 OK 89 89 100 100 4.4-4.7 2.9/136=82, ~3455=52...(10) HD3 PRO 32 + HB3 GLU 33 OK 84 94 100 90 4.0-4.3 3448/128=62, 1785=41...(5) HA ARG 34 - HB3 PRO 32 far 0 97 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 1811 from cnoeabs.peaks (4.38, 1.98, 28.38 ppm; 4.08 A increased from 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HG2 PRO 32 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1812 from cnoeabs.peaks (1.80, 1.98, 28.38 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (2.31, 1.98, 28.38 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 GLU 33 - HG2 PRO 32 far 0 98 0 - 5.6-6.0 HG2 GLU 33 - HG2 PRO 32 far 0 92 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 1814 from cnoeabs.peaks (1.98, 1.98, 28.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HG2 PRO 32 OK 100 100 - 100 Peak 1815 from cnoeabs.peaks (2.10, 1.98, 28.38 ppm; 2.44 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + HG2 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 45 - HG2 PRO 32 far 0 65 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 1816 from cnoeabs.peaks (3.91, 1.98, 28.38 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (3.80, 1.98, 28.38 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.7-2.7 2.3=100 HA ARG 34 - HG2 PRO 32 far 0 97 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 1818 from cnoeabs.peaks (4.38, 2.10, 28.38 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HG3 PRO 32 OK 100 100 100 100 3.9-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 1819 from cnoeabs.peaks (1.80, 2.10, 28.38 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HG3 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (2.31, 2.10, 28.38 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 32 + HG3 PRO 32 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 33 - HG3 PRO 32 far 0 98 0 - 3.9-4.3 HG2 GLU 33 - HG3 PRO 32 far 0 92 0 - 4.0-4.9 Violated in 0 structures by 0.00 A. Peak 1821 from cnoeabs.peaks (1.98, 2.10, 28.38 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HG3 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1822 from cnoeabs.peaks (2.10, 2.10, 28.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HG3 PRO 32 OK 100 100 - 100 Peak 1823 from cnoeabs.peaks (3.91, 2.10, 28.38 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HG3 PRO 32 OK 100 100 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (3.80, 2.10, 28.38 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HG3 PRO 32 OK 100 100 100 100 2.3-2.3 2.3=100 HA ARG 34 - HG3 PRO 32 far 0 97 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 1825 from cnoeabs.peaks (7.21, 4.07, 58.90 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HA GLU 33 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1826 from cnoeabs.peaks (4.07, 4.07, 58.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HA GLU 33 OK 100 100 - 100 HA LYS 39 + HA LYS 39 OK 82 82 - 100 Peak 1827 from cnoeabs.peaks (1.88, 4.07, 58.90 ppm; 2.99 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 33 + HA GLU 33 OK 100 100 100 100 2.5-2.7 3.0=98, 3.0/1830=42...(19) HB2 LYS 42 - HA LYS 39 far 0 85 0 - 5.7-6.1 HB3 ARG 34 - HA GLU 33 far 0 73 0 - 5.8-6.0 HG LEU 41 - HA LYS 39 far 0 74 0 - 5.9-6.2 HG LEU 41 - HA GLU 33 far 0 90 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (2.32, 4.07, 58.90 ppm; 3.25 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 33 + HA GLU 33 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 33 + HA GLU 33 OK 35 99 35 100 2.2-3.7 1.8/1830=68, 1844=63...(16) HB3 PRO 32 - HA GLU 33 far 0 98 0 - 5.5-5.6 HG3 GLN 26 - HA GLU 33 far 0 63 0 - 9.0-10.0 HG2 GLN 15 - HA LYS 39 far 0 68 0 - 9.0-9.9 HG2 GLN 26 - HA GLU 33 far 0 60 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (2.32, 4.07, 58.90 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 33 + HA GLU 33 OK 99 99 100 100 3.0-3.0 3.0=100 * HG2 GLU 33 + HA GLU 33 OK 35 100 35 100 2.2-3.7 1.8/1830=68, 1844=64...(16) HB3 PRO 32 - HA GLU 33 far 0 92 0 - 5.5-5.6 HG2 GLN 15 - HA LYS 39 far 0 56 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 1830 from cnoeabs.peaks (2.23, 4.07, 58.90 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HA GLU 33 OK 100 100 100 100 2.4-3.2 1850=68, 1.8/1844=58...(16) Violated in 0 structures by 0.00 A. Peak 1831 from cnoeabs.peaks (7.21, 1.88, 30.88 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HB2 GLU 33 OK 100 100 100 100 3.5-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1832 from cnoeabs.peaks (4.07, 1.88, 30.88 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HB2 GLU 33 OK 100 100 100 100 2.5-2.7 3.0=100 HA LEU 37 - HB2 GLU 33 far 0 96 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 1833 from cnoeabs.peaks (1.88, 1.88, 30.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 33 + HB2 GLU 33 OK 100 100 - 100 Peak 1834 from cnoeabs.peaks (2.32, 1.88, 30.88 ppm; 2.86 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 33 + HB2 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 33 + HB2 GLU 33 OK 98 99 100 98 2.4-2.6 3.0=87, 1844/1827=31...(12) HG3 GLN 26 - HB2 GLU 33 far 0 63 0 - 6.4-7.5 HG2 GLN 26 - HB2 GLU 33 far 0 60 0 - 6.6-7.3 HB3 PRO 32 - HB2 GLU 33 far 0 98 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 1835 from cnoeabs.peaks (2.32, 1.88, 30.88 ppm; 2.86 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLU 33 + HB2 GLU 33 OK 99 99 100 100 1.8-1.8 1.8=100 * HG2 GLU 33 + HB2 GLU 33 OK 98 100 100 98 2.4-2.6 3.0=87, 1844/1827=32...(12) HB3 PRO 32 - HB2 GLU 33 far 0 92 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 1836 from cnoeabs.peaks (2.23, 1.88, 30.88 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HB2 GLU 33 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (7.21, 2.32, 30.88 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 33 + HB3 GLU 33 OK 100 100 100 100 2.2-2.4 619=100, 618/1.8=74...(15) H GLU 33 - HB3 PRO 32 far 0 94 0 - 4.0-4.3 Violated in 0 structures by 0.00 A. Peak 1838 from cnoeabs.peaks (4.07, 2.32, 30.88 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 33 + HB3 GLU 33 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 33 - HB3 PRO 32 far 0 94 0 - 5.5-5.6 HA LEU 37 - HB3 GLU 33 far 0 96 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (1.88, 2.32, 30.88 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 33 + HB3 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 34 - HB3 GLU 33 far 0 73 0 - 4.4-4.7 HB2 GLU 33 - HB3 PRO 32 far 0 94 0 - 7.4-7.5 HB3 ARG 34 - HB3 PRO 32 far 0 64 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 1840 from cnoeabs.peaks (2.32, 2.32, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 33 + HB3 GLU 33 OK 100 100 - 100 HB3 PRO 32 + HB3 PRO 32 OK 90 90 - 100 Peak 1841 from cnoeabs.peaks (2.32, 2.32, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 33 + HB3 GLU 33 OK 99 99 - 100 HB3 PRO 32 + HB3 PRO 32 OK 82 82 - 100 Reference assignment not found: HG2 GLU 33 - HB3 GLU 33 Peak 1842 from cnoeabs.peaks (2.23, 2.32, 30.88 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 33 + HB3 GLU 33 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 33 - HB3 PRO 32 far 0 94 0 - 5.5-7.1 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (7.21, 2.32, 37.36 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG2 GLU 33 OK 100 100 100 100 3.5-4.0 621/1.8=75, 620/3.0=74...(11) Violated in 1 structures by 0.00 A. Peak 1844 from cnoeabs.peaks (4.07, 2.32, 37.36 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HG2 GLU 33 OK 100 100 100 100 2.2-3.7 1830/1.8=85, 4.0=83...(16) HA LEU 37 - HG2 GLU 33 far 0 96 0 - 7.1-8.9 Violated in 0 structures by 0.00 A. Peak 1845 from cnoeabs.peaks (1.88, 2.32, 37.36 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 33 + HG2 GLU 33 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 ARG 34 - HG2 GLU 33 far 0 73 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 1846 from cnoeabs.peaks (2.32, 2.32, 37.36 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 33 + HG2 GLU 33 OK 99 99 - 100 Reference assignment not found: HB3 GLU 33 - HG2 GLU 33 Peak 1847 from cnoeabs.peaks (2.32, 2.32, 37.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 33 + HG2 GLU 33 OK 100 100 - 100 Peak 1848 from cnoeabs.peaks (2.23, 2.32, 37.36 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HG2 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1849 from cnoeabs.peaks (7.21, 2.23, 37.36 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG3 GLU 33 OK 100 100 100 100 2.5-4.0 621=100, 1843/1.8=79...(11) Violated in 0 structures by 0.00 A. Peak 1850 from cnoeabs.peaks (4.07, 2.23, 37.36 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HG3 GLU 33 OK 100 100 100 100 2.4-3.2 1830=100, 1844/1.8=74...(16) HA LEU 37 - HG3 GLU 33 far 0 96 0 - 7.5-9.3 Violated in 0 structures by 0.00 A. Peak 1851 from cnoeabs.peaks (1.88, 2.23, 37.36 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 33 + HG3 GLU 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 34 - HG3 GLU 33 far 0 73 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (2.32, 2.23, 37.36 ppm; 2.71 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLU 33 + HG3 GLU 33 OK 99 99 100 100 1.8-1.8 1.8=100 * HB3 GLU 33 + HG3 GLU 33 OK 91 100 95 96 2.3-3.0 3.0=74, 3.0/1830=34...(12) HB3 PRO 32 - HG3 GLU 33 far 0 98 0 - 5.5-7.1 HG2 GLN 26 - HG3 GLU 33 far 0 60 0 - 7.7-9.2 HG3 GLN 26 - HG3 GLU 33 far 0 63 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 1853 from cnoeabs.peaks (2.32, 2.23, 37.36 ppm; 2.71 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 33 + HG3 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 33 + HG3 GLU 33 OK 91 99 95 96 2.3-3.0 3.0=74, 3.0/1830=34...(12) HB3 PRO 32 - HG3 GLU 33 far 0 92 0 - 5.5-7.1 Violated in 0 structures by 0.00 A. Peak 1854 from cnoeabs.peaks (2.23, 2.23, 37.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HG3 GLU 33 OK 100 100 - 100 Peak 1855 from cnoeabs.peaks (8.73, 3.79, 59.87 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA ARG 34 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1856 from cnoeabs.peaks (3.79, 3.79, 59.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + HA ARG 34 OK 100 100 - 100 Peak 1857 from cnoeabs.peaks (1.94, 3.79, 59.87 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 34 + HA ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 LYS 22 - HA ARG 34 far 0 78 0 - 6.7-8.5 HB3 LYS 39 - HA ARG 34 far 0 93 0 - 8.2-8.8 HB2 LYS 39 - HA ARG 34 far 0 90 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (1.86, 3.79, 59.87 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HA ARG 34 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 GLU 33 - HA ARG 34 far 0 73 0 - 3.9-4.2 HB3 LYS 49 - HA ARG 34 far 0 78 0 - 6.9-8.0 HG LEU 41 - HA ARG 34 far 0 99 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 1859 from cnoeabs.peaks (1.34, 3.79, 59.87 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HA ARG 34 OK 100 100 100 100 3.0-3.6 4.0=100 QB ALA 38 - HA ARG 34 far 0 100 0 - 4.2-4.8 Violated in 0 structures by 0.00 A. Peak 1860 from cnoeabs.peaks (1.59, 3.79, 59.87 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 34 + HA ARG 34 OK 100 100 100 100 2.5-2.6 4.0=82, 4329/4853=43...(16) HG LEU 37 - HA ARG 34 far 0 68 0 - 4.6-5.0 QB ALA 31 - HA ARG 34 far 0 63 0 - 6.9-7.1 HG2 LYS 49 - HA ARG 34 far 0 92 0 - 8.3-10.6 HB3 LEU 43 - HA ARG 34 far 0 89 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1861 from cnoeabs.peaks (3.54, 3.79, 59.87 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HA ARG 34 OK 100 100 100 100 3.8-4.6 1896=91, 3.0/1860=89...(6) HB3 PHE 52 - HA ARG 34 far 0 93 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 1863 from cnoeabs.peaks (8.73, 1.94, 29.95 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.4-2.6 624=100, 135/1.8=87...(11) Violated in 0 structures by 0.00 A. Peak 1864 from cnoeabs.peaks (3.79, 1.94, 29.95 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + HB2 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 PRO 32 - HB2 ARG 34 far 0 97 0 - 5.7-6.1 Violated in 0 structures by 0.00 A. Peak 1865 from cnoeabs.peaks (1.94, 1.94, 29.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HB2 ARG 34 OK 100 100 - 100 Peak 1866 from cnoeabs.peaks (1.86, 1.94, 29.95 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 34 + HB2 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 33 - HB2 ARG 34 far 0 73 0 - 5.3-5.7 HB3 LYS 49 - HB2 ARG 34 far 0 78 0 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 1867 from cnoeabs.peaks (1.34, 1.94, 29.95 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.3-2.5 3.0=100 QB ALA 38 - HB2 ARG 34 far 0 100 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (1.59, 1.94, 29.95 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 34 + HB2 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 31 - HB2 ARG 34 far 0 63 0 - 4.8-5.1 HG2 LYS 49 - HB2 ARG 34 far 0 92 0 - 7.1-9.9 HG LEU 37 - HB2 ARG 34 far 0 68 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (3.54, 1.94, 29.95 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.2-3.5 3.6=100 HB3 PHE 52 - HB2 ARG 34 far 0 93 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (3.27, 1.94, 29.95 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 34 + HB2 ARG 34 OK 100 100 100 100 3.4-3.9 3.6=100 HB2 PHE 52 - HB2 ARG 34 far 0 100 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 1871 from cnoeabs.peaks (8.73, 1.86, 29.95 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.5-2.7 3.9=90, 624/1.8=88...(11) Violated in 0 structures by 0.00 A. Peak 1872 from cnoeabs.peaks (3.79, 1.86, 29.95 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.4-2.5 3.0=100 HD3 PRO 32 - HB3 ARG 34 far 0 97 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (1.94, 1.86, 29.95 ppm; 2.75 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 34 + HB3 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 22 - HB3 ARG 34 far 0 78 0 - 8.5-9.9 HB3 LYS 39 - HB3 ARG 34 far 0 93 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1874 from cnoeabs.peaks (1.86, 1.86, 29.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HB3 ARG 34 OK 100 100 - 100 Peak 1875 from cnoeabs.peaks (1.34, 1.86, 29.95 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HB3 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 38 - HB3 ARG 34 far 0 100 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 1876 from cnoeabs.peaks (1.59, 1.86, 29.95 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.4-2.7 3.0=100 QB ALA 31 - HB3 ARG 34 far 0 63 0 - 5.6-5.9 HG2 LYS 49 - HB3 ARG 34 far 0 92 0 - 6.7-9.4 HG LEU 37 - HB3 ARG 34 far 0 68 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 1877 from cnoeabs.peaks (3.54, 1.86, 29.95 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.0-2.8 3.6=100 HB3 PHE 52 - HB3 ARG 34 far 0 93 0 - 6.8-8.4 Violated in 0 structures by 0.00 A. Peak 1878 from cnoeabs.peaks (3.27, 1.86, 29.95 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 34 + HB3 ARG 34 OK 100 100 100 100 3.2-3.8 3.6=100 HB2 PHE 52 - HB3 ARG 34 far 0 100 0 - 6.9-8.6 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (3.79, 1.34, 28.15 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HG2 ARG 34 OK 100 100 100 100 3.0-3.6 4.0=100 HD3 PRO 32 - HG2 ARG 34 far 0 97 0 - 7.9-8.4 HA ILE 50 - HG2 ARG 34 far 0 90 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1881 from cnoeabs.peaks (1.94, 1.34, 28.15 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 LYS 39 - HG2 ARG 34 far 0 93 0 - 7.8-8.8 HD3 LYS 22 - HD3 LYS 27 far 0 37 0 - 9.1-12.1 HB2 LYS 39 - HG2 ARG 34 far 0 90 0 - 9.5-10.4 HB ILE 50 - HG2 ARG 34 far 0 100 0 - 9.7-10.5 HD3 LYS 22 - HG2 ARG 34 far 0 78 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1882 from cnoeabs.peaks (1.86, 1.34, 28.15 ppm; 4.37 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 34 + HG2 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 49 - HG2 ARG 34 far 0 78 0 - 4.6-5.6 HB2 GLU 33 - HG2 ARG 34 far 0 73 0 - 6.8-7.3 HG LEU 41 - HG2 ARG 34 far 0 99 0 - 8.3-9.3 HB2 LYS 60 - HD3 LYS 27 far 0 34 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 1883 from cnoeabs.peaks (1.34, 1.34, 28.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HG2 ARG 34 OK 100 100 - 100 HD3 LYS 27 + HD3 LYS 27 OK 53 53 - 100 Peak 1884 from cnoeabs.peaks (1.59, 1.34, 28.15 ppm; 3.10 A): 1 out of 9 assignments used, quality = 1.00: * HG3 ARG 34 + HG2 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 27 - HD3 LYS 27 far 0 31 0 - 3.4-3.9 HG LEU 37 - HG2 ARG 34 far 0 68 0 - 6.0-7.2 HG3 ARG 61 - HD3 LYS 27 far 0 52 0 - 6.1-17.4 HG2 LYS 49 - HG2 ARG 34 far 0 92 0 - 6.2-8.6 QB ALA 31 - HG2 ARG 34 far 0 63 0 - 6.2-6.8 HG2 ARG 61 - HD3 LYS 27 far 0 51 0 - 6.6-15.7 HB3 LEU 43 - HG2 ARG 34 far 0 89 0 - 7.8-8.8 HG LEU 68 - HD3 LYS 27 far 0 27 0 - 9.2-25.9 Violated in 0 structures by 0.00 A. Peak 1885 from cnoeabs.peaks (3.54, 1.34, 28.15 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 52 - HD3 LYS 27 far 0 47 0 - 5.8-9.0 HB3 PHE 52 - HG2 ARG 34 far 0 93 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 1886 from cnoeabs.peaks (3.27, 1.34, 28.15 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 PHE 52 - HD3 LYS 27 far 0 55 0 - 6.1-8.4 HB2 PHE 52 - HG2 ARG 34 far 0 100 0 - 7.5-9.9 HB3 TRP 51 - HG2 ARG 34 far 0 78 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (8.73, 1.59, 28.15 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HG3 ARG 34 OK 100 100 100 100 4.4-4.5 4.9=100 Violated in 0 structures by 0.00 A. Peak 1888 from cnoeabs.peaks (3.79, 1.59, 28.15 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.5-2.6 4.0=100 HD3 PRO 32 - HG3 ARG 34 far 0 97 0 - 8.5-8.8 HA ILE 50 - HG3 ARG 34 far 0 90 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 1889 from cnoeabs.peaks (1.94, 1.59, 28.15 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 34 + HG3 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 39 - HG3 ARG 34 far 0 93 0 - 8.4-9.5 HD3 LYS 22 - HG3 ARG 34 far 0 78 0 - 8.6-10.5 HB ILE 50 - HG3 ARG 34 far 0 100 0 - 9.1-9.9 HB2 LYS 39 - HG3 ARG 34 far 0 90 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 1890 from cnoeabs.peaks (1.86, 1.59, 28.15 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 LYS 49 - HG3 ARG 34 far 0 78 0 - 4.3-5.7 HB2 GLU 33 - HG3 ARG 34 far 0 73 0 - 6.1-6.7 HG LEU 41 - HG3 ARG 34 far 0 99 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 1891 from cnoeabs.peaks (1.34, 1.59, 28.15 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HG3 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 38 - HG3 ARG 34 far 0 100 0 - 3.4-4.4 Violated in 0 structures by 0.00 A. Peak 1892 from cnoeabs.peaks (1.59, 1.59, 28.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HG3 ARG 34 OK 100 100 - 100 Peak 1893 from cnoeabs.peaks (3.54, 1.59, 28.15 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 52 - HG3 ARG 34 far 0 93 0 - 6.0-8.2 Violated in 0 structures by 0.00 A. Peak 1894 from cnoeabs.peaks (3.27, 1.59, 28.15 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 PHE 52 - HG3 ARG 34 far 0 100 0 - 6.1-8.5 HB3 TRP 51 - HG3 ARG 34 far 0 78 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 1896 from cnoeabs.peaks (3.79, 3.54, 43.10 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HD2 ARG 34 OK 100 100 100 100 3.8-4.6 1861=100, 1860/3.0=91...(6) HD3 PRO 32 - HD2 ARG 34 far 0 97 0 - 7.4-8.9 HA ILE 50 - HD2 ARG 34 far 0 90 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 1897 from cnoeabs.peaks (1.94, 3.54, 43.10 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.2-3.5 3.6=100 HB ILE 50 - HD2 ARG 34 far 0 100 0 - 9.1-10.0 HD3 LYS 22 - HD2 ARG 34 far 0 78 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 1898 from cnoeabs.peaks (1.86, 3.54, 43.10 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.0-2.8 3.6=100 HB3 LYS 49 + HD2 ARG 34 OK 58 78 75 99 3.2-4.5 4592=63, 3.0/4340=54...(7) HB2 GLU 33 - HD2 ARG 34 far 0 73 0 - 6.8-7.5 HG LEU 41 - HD2 ARG 34 far 0 99 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1899 from cnoeabs.peaks (1.34, 3.54, 43.10 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 38 - HD2 ARG 34 far 0 100 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 1900 from cnoeabs.peaks (1.59, 3.54, 43.10 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 49 - HD2 ARG 34 far 0 92 0 - 4.3-7.0 QB ALA 31 - HD2 ARG 34 far 0 63 0 - 5.5-7.3 HG LEU 37 - HD2 ARG 34 far 0 68 0 - 7.3-8.6 HB3 LEU 43 - HD2 ARG 34 far 0 89 0 - 9.2-10.5 HB3 LYS 27 - HD2 ARG 34 far 0 68 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1901 from cnoeabs.peaks (3.54, 3.54, 43.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HD2 ARG 34 OK 100 100 - 100 Peak 1902 from cnoeabs.peaks (3.27, 3.54, 43.10 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 34 + HD2 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 52 - HD2 ARG 34 far 0 100 0 - 5.3-8.2 HB3 TRP 51 - HD2 ARG 34 far 0 78 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (3.79, 3.27, 43.10 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HD3 ARG 34 OK 100 100 100 100 4.2-4.9 1860/3.0=87, 5.3=82...(6) HA ILE 50 - HD3 ARG 34 far 0 90 0 - 7.4-8.4 HD3 PRO 32 - HD3 ARG 34 far 0 97 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (1.94, 3.27, 43.10 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 34 + HD3 ARG 34 OK 100 100 100 100 3.4-3.9 3.6=100 HB ILE 50 - HD3 ARG 34 far 0 100 0 - 7.9-8.8 HB3 LYS 39 - HD3 ARG 34 far 0 93 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1906 from cnoeabs.peaks (1.86, 3.27, 43.10 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HD3 ARG 34 OK 100 100 100 100 3.2-3.8 3.6=100 HB3 LYS 49 + HD3 ARG 34 OK 77 78 100 98 2.4-3.4 4593=58, 1.8/4591=51...(7) HB2 GLU 33 - HD3 ARG 34 far 0 73 0 - 7.8-8.6 HG LEU 41 - HD3 ARG 34 far 0 99 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (1.34, 3.27, 43.10 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HD3 ARG 34 OK 100 100 100 100 2.2-2.8 3.0=100 QB ALA 38 - HD3 ARG 34 far 0 100 0 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 1908 from cnoeabs.peaks (1.59, 3.27, 43.10 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 34 + HD3 ARG 34 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 LYS 49 - HD3 ARG 34 far 0 92 0 - 3.8-6.3 QB ALA 31 - HD3 ARG 34 far 0 63 0 - 6.8-7.7 HG LEU 37 - HD3 ARG 34 far 0 68 0 - 6.9-8.3 HB3 LEU 43 - HD3 ARG 34 far 0 89 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (3.54, 3.27, 43.10 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HD3 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 52 - HD3 ARG 34 far 0 93 0 - 4.8-7.5 Violated in 0 structures by 0.00 A. Peak 1910 from cnoeabs.peaks (3.27, 3.27, 43.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HD3 ARG 34 OK 100 100 - 100 Peak 1911 from cnoeabs.peaks (8.15, 3.98, 55.19 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HA ALA 35 OK 100 100 100 100 2.8-2.9 3.0=100 H THR 46 - HA ALA 35 far 0 98 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 1912 from cnoeabs.peaks (3.98, 3.98, 55.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 35 + HA ALA 35 OK 100 100 - 100 Peak 1913 from cnoeabs.peaks (1.49, 3.98, 55.19 ppm; 2.79 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 35 + HA ALA 35 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 29 - HA ALA 35 far 0 71 0 - 8.0-8.7 HG LEU 43 - HA ALA 35 far 0 92 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 1914 from cnoeabs.peaks (8.15, 1.49, 17.89 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + QB ALA 35 OK 100 100 100 100 2.0-2.3 632=100, 147/149=36...(10) H THR 46 - QB ALA 35 far 0 98 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 1915 from cnoeabs.peaks (3.98, 1.49, 17.89 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 35 + QB ALA 35 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 30 - QB ALA 35 far 0 60 0 - 6.5-7.6 HA LYS 42 - QB ALA 35 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (1.49, 1.49, 17.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 35 + QB ALA 35 OK 100 100 - 100 Peak 1917 from cnoeabs.peaks (7.99, 4.32, 59.41 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + HA HIS 36 OK 100 100 100 100 2.8-2.8 3.0=100 H ASN 40 - HA HIS 36 far 0 63 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 1918 from cnoeabs.peaks (4.32, 4.32, 59.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 36 + HA HIS 36 OK 100 100 - 100 Peak 1919 from cnoeabs.peaks (3.19, 4.32, 59.41 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 36 + HA HIS 36 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 HIS 36 + HA HIS 36 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1920 from cnoeabs.peaks (3.19, 4.32, 59.41 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: HB2 HIS 36 + HA HIS 36 OK 100 100 100 100 2.4-2.7 3.0=100 * HB3 HIS 36 + HA HIS 36 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1921 from cnoeabs.peaks (7.05, 4.32, 59.41 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 36 + HA HIS 36 OK 100 100 100 100 3.7-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 1922 from cnoeabs.peaks (7.99, 3.19, 30.63 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.97: H HIS 36 + HB3 HIS 36 OK 96 100 100 96 2.2-2.5 635=72, 886/152=45...(8) * H HIS 36 + HB2 HIS 36 OK 42 100 50 84 2.6-3.6 636/1.8=56, 4.0=44...(5) H ASN 40 - HB2 HIS 36 far 0 63 0 - 5.5-6.6 H ASN 40 - HB3 HIS 36 far 0 63 0 - 6.1-6.4 H ILE 17 - HB2 HIS 10 far 0 60 0 - 7.9-13.2 H LEU 19 - HB2 HIS 10 far 0 79 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 1923 from cnoeabs.peaks (4.32, 3.19, 30.63 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 36 + HB2 HIS 36 OK 100 100 100 100 2.4-2.7 3.0=100 HA HIS 36 + HB3 HIS 36 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1924 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 * HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 70 70 - 100 Peak 1925 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 72 72 - 100 Reference assignment not found: HB3 HIS 36 - HB2 HIS 36 Peak 1926 from cnoeabs.peaks (7.05, 3.19, 30.63 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: HD2 HIS 36 + HB3 HIS 36 OK 100 100 100 100 2.7-2.9 4.0=100 * HD2 HIS 36 + HB2 HIS 36 OK 100 100 100 100 3.2-3.9 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 64 64 100 100 3.0-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (7.99, 3.19, 30.63 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.97: * H HIS 36 + HB3 HIS 36 OK 96 100 100 96 2.2-2.5 636=72, 886/153=45...(8) H HIS 36 + HB2 HIS 36 OK 42 100 50 84 2.6-3.6 636/1.8=56, 4.0=44...(5) H ASN 40 - HB2 HIS 36 far 0 63 0 - 5.5-6.6 H ASN 40 - HB3 HIS 36 far 0 63 0 - 6.1-6.4 H ILE 17 - HB2 HIS 10 far 0 63 0 - 7.9-13.2 H LEU 19 - HB2 HIS 10 far 0 82 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 1928 from cnoeabs.peaks (4.32, 3.19, 30.63 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: HA HIS 36 + HB2 HIS 36 OK 100 100 100 100 2.4-2.7 3.0=100 * HA HIS 36 + HB3 HIS 36 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1929 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 73 73 - 100 Reference assignment not found: HB2 HIS 36 - HB3 HIS 36 Peak 1930 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 75 75 - 100 Peak 1931 from cnoeabs.peaks (7.05, 3.19, 30.63 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: * HD2 HIS 36 + HB3 HIS 36 OK 100 100 100 100 2.7-2.9 4.0=100 HD2 HIS 36 + HB2 HIS 36 OK 100 100 100 100 3.2-3.9 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 67 67 100 100 3.0-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (3.19, 7.05, 119.84 ppm; 4.50 A): 3 out of 4 assignments used, quality = 1.00: HB3 HIS 36 + HD2 HIS 36 OK 98 98 100 100 2.7-2.9 4.0=100 * HB2 HIS 36 + HD2 HIS 36 OK 98 98 100 100 3.2-3.9 4.0=100 HB2 HIS 10 + HD2 HIS 10 OK 41 41 100 100 3.0-4.0 3.9=100 HB2 HIS 13 - HD2 HIS 10 far 0 28 0 - 7.6-14.8 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (3.19, 7.05, 119.84 ppm; 4.50 A): 3 out of 4 assignments used, quality = 1.00: * HB3 HIS 36 + HD2 HIS 36 OK 98 98 100 100 2.7-2.9 4.0=100 HB2 HIS 36 + HD2 HIS 36 OK 98 98 100 100 3.2-3.9 4.0=100 HB2 HIS 10 + HD2 HIS 10 OK 41 41 100 100 3.0-4.0 3.9=100 HB2 HIS 13 - HD2 HIS 10 far 0 29 0 - 7.6-14.8 Violated in 0 structures by 0.00 A. Peak 1936 from cnoeabs.peaks (7.05, 7.05, 119.84 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: * HD2 HIS 36 + HD2 HIS 36 OK 98 98 - 100 HD2 HIS 10 + HD2 HIS 10 OK 36 36 - 100 Peak 1937 from cnoeabs.peaks (8.07, 4.06, 57.84 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 37 + HA LEU 37 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 41 - HA LEU 37 far 0 97 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 1938 from cnoeabs.peaks (4.06, 4.06, 57.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + HA LEU 37 OK 100 100 - 100 Peak 1939 from cnoeabs.peaks (1.66, 4.06, 57.84 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + HA LEU 37 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 LYS 22 - HA LEU 37 far 0 93 0 - 7.1-8.3 HD3 LYS 42 - HA LEU 37 far 0 100 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 1940 from cnoeabs.peaks (1.73, 4.06, 57.84 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + HA LEU 37 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 22 - HA LEU 37 far 0 87 0 - 5.9-6.7 HD2 LYS 42 - HA LEU 37 far 0 96 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (1.56, 4.06, 57.84 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 37 + HA LEU 37 OK 100 100 100 100 3.0-3.3 2.1/1973=88, 1959=73...(15) HG3 LYS 39 - HA LEU 37 far 0 92 0 - 4.3-5.5 HG3 ARG 34 - HA LEU 37 far 0 68 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 1942 from cnoeabs.peaks (0.92, 4.06, 57.84 ppm; 3.93 A increased from 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + HA LEU 37 OK 100 100 100 100 3.8-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 1943 from cnoeabs.peaks (0.96, 4.06, 57.84 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HA LEU 37 OK 100 100 100 100 2.0-2.3 1973=100, 2.1/1941=42...(22) QG2 VAL 48 - HA LEU 37 far 0 96 0 - 5.1-5.7 Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (8.07, 1.66, 42.65 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.6-2.8 640=100, 641/1.8=81...(12) H LEU 41 - HB2 LEU 37 far 0 97 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (4.06, 1.66, 42.65 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.4-2.5 3.0=100 HA GLU 33 - HB2 LEU 37 far 0 95 0 - 4.4-5.1 HA LYS 39 - HB2 LEU 37 far 0 76 0 - 8.4-8.5 HA ARG 56 - HB2 LEU 64 far 0 59 0 - 9.2-19.3 HA SER 24 - HB2 LEU 64 far 0 63 0 - 9.5-25.8 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (1.66, 1.66, 42.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 37 + HB2 LEU 37 OK 100 100 - 100 HB2 LEU 64 + HB2 LEU 64 OK 81 81 - 100 Peak 1947 from cnoeabs.peaks (1.73, 1.66, 42.65 ppm; 2.73 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 37 + HB2 LEU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 22 - HB2 LEU 37 far 0 87 0 - 3.8-4.7 HB3 ARG 61 - HB2 LEU 64 far 0 80 0 - 4.4-12.5 HB2 ARG 56 - HB2 LEU 64 far 0 75 0 - 7.5-21.5 Violated in 0 structures by 0.00 A. Peak 1948 from cnoeabs.peaks (1.56, 1.66, 42.65 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 37 + HB2 LEU 37 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 ARG 34 - HB2 LEU 37 far 0 68 0 - 5.3-5.9 HG3 LYS 39 - HB2 LEU 37 far 0 92 0 - 6.0-7.6 HB3 LYS 27 - HB2 LEU 64 far 0 82 0 - 7.9-24.6 QB ALA 31 - HB2 LEU 37 far 0 100 0 - 9.1-9.4 HD3 LYS 58 - HB2 LEU 64 far 0 61 0 - 9.5-23.2 Violated in 0 structures by 0.00 A. Peak 1949 from cnoeabs.peaks (0.92, 1.66, 42.65 ppm; 3.11 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.3-2.5 1967=100, 1965/640=30...(12) QD1 LEU 64 + HB2 LEU 64 OK 73 74 100 99 2.1-3.2 3.1=97, 4.7/836=25...(14) Violated in 0 structures by 0.00 A. Peak 1950 from cnoeabs.peaks (0.96, 1.66, 42.65 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.2-2.4 3.1=100 QG2 VAL 48 - HB2 LEU 37 far 0 97 0 - 4.8-5.5 Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (8.07, 1.73, 42.65 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.3-2.5 641=100, 640/1.8=82...(13) H LEU 41 - HB3 LEU 37 far 0 97 0 - 6.1-6.3 H GLN 47 - HB3 LEU 37 far 0 92 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (4.06, 1.73, 42.65 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + HB3 LEU 37 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 33 - HB3 LEU 37 far 0 95 0 - 5.1-5.8 HA LYS 39 - HB3 LEU 37 far 0 76 0 - 7.5-7.6 Violated in 0 structures by 0.00 A. Peak 1953 from cnoeabs.peaks (1.66, 1.73, 42.65 ppm; 2.61 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 37 + HB3 LEU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 22 - HB3 LEU 37 far 0 93 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (1.73, 1.73, 42.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + HB3 LEU 37 OK 100 100 - 100 Peak 1955 from cnoeabs.peaks (1.56, 1.73, 42.65 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 ARG 34 - HB3 LEU 37 far 0 68 0 - 3.8-4.4 HG3 LYS 39 - HB3 LEU 37 far 0 92 0 - 5.7-7.5 QB ALA 31 - HB3 LEU 37 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 1956 from cnoeabs.peaks (0.92, 1.73, 42.65 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.1-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 1957 from cnoeabs.peaks (0.96, 1.73, 42.65 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HB3 LEU 37 OK 100 100 100 100 3.2-3.2 3.1=100 QG2 VAL 48 - HB3 LEU 37 far 5 97 5 - 3.3-4.1 Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (8.07, 1.56, 26.77 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HG LEU 37 OK 100 100 100 100 4.3-4.5 640/3.0=88, 641/3.0=88...(9) H LEU 41 - HG LEU 37 far 0 97 0 - 4.8-5.2 H GLN 47 - HG LEU 37 far 0 92 0 - 9.7-10.3 Violated in 2 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (4.06, 1.56, 26.77 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + HG LEU 37 OK 100 100 100 100 3.0-3.3 4.3=100 HA GLU 33 - HG LEU 37 far 0 95 0 - 7.3-8.0 HA LYS 39 - HG LEU 37 far 0 76 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (1.66, 1.56, 26.77 ppm; 3.18 A increased from 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + HG LEU 37 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 LYS 22 - HG LEU 37 far 0 93 0 - 6.2-7.1 HD3 LYS 42 - HG LEU 37 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (1.73, 1.56, 26.77 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + HG LEU 37 OK 100 100 100 100 2.4-2.5 3.0=100 HG2 LYS 22 - HG LEU 37 far 0 87 0 - 4.6-5.4 HD2 LYS 42 - HG LEU 37 far 0 96 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 1962 from cnoeabs.peaks (1.56, 1.56, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 37 + HG LEU 37 OK 100 100 - 100 Peak 1963 from cnoeabs.peaks (0.92, 1.56, 26.77 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + HG LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1964 from cnoeabs.peaks (0.96, 1.56, 26.77 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HG LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 48 - HG LEU 37 far 5 97 5 - 3.3-4.0 Violated in 0 structures by 0.00 A. Peak 1965 from cnoeabs.peaks (8.07, 0.92, 27.31 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 37 + QD2 LEU 37 OK 100 100 100 100 4.2-4.3 643=97, 640/1967=88...(12) H LEU 41 - QD2 LEU 37 far 0 97 0 - 6.1-6.4 H GLN 47 - QD2 LEU 37 far 0 92 0 - 8.7-9.3 H ARG 55 - QD2 LEU 37 far 0 99 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 1966 from cnoeabs.peaks (4.06, 0.92, 27.31 ppm; 4.28 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 37 + QD2 LEU 37 OK 100 100 100 100 3.8-3.9 3.8=100 HA GLU 33 - QD2 LEU 37 far 0 95 0 - 5.4-6.0 HA ARG 21 - QD2 LEU 37 far 0 96 0 - 7.3-7.8 HA LYS 39 - QD2 LEU 37 far 0 76 0 - 8.0-8.3 HA SER 24 - QD2 LEU 37 far 0 85 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (1.66, 0.92, 27.31 ppm; 2.80 A): 1 out of 2 assignments used, quality = 0.94: * HB2 LEU 37 + QD2 LEU 37 OK 94 100 100 94 2.3-2.5 3.1=72, 640/1965=24...(11) HG3 LYS 22 - QD2 LEU 37 far 0 93 0 - 3.3-3.9 Violated in 0 structures by 0.00 A. Peak 1968 from cnoeabs.peaks (1.73, 0.92, 27.31 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 37 + QD2 LEU 37 OK 100 100 100 100 2.1-2.4 3.1=100 HG2 LYS 22 + QD2 LEU 37 OK 86 87 100 99 1.9-2.4 1.8/4154=39, 4152=34...(17) HD2 LYS 49 - QD2 LEU 37 far 0 60 0 - 9.1-10.9 HD2 LYS 42 - QD2 LEU 37 far 0 96 0 - 9.4-11.9 HB2 ARG 56 - QD2 LEU 37 far 0 97 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (1.56, 0.92, 27.31 ppm; 3.14 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 37 + QD2 LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 34 - QD2 LEU 37 far 0 68 0 - 3.9-4.5 HG3 LYS 39 - QD2 LEU 37 far 0 92 0 - 7.0-8.2 QB ALA 31 - QD2 LEU 37 far 0 100 0 - 8.4-8.7 HG2 LYS 49 - QD2 LEU 37 far 0 97 0 - 8.5-10.1 HB3 LYS 27 - QD2 LEU 37 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1970 from cnoeabs.peaks (0.92, 0.92, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + QD2 LEU 37 OK 100 100 - 100 Peak 1971 from cnoeabs.peaks (0.96, 0.92, 27.31 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + QD2 LEU 37 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 48 - QD2 LEU 37 far 0 97 0 - 3.3-4.0 Violated in 0 structures by 0.00 A. Peak 1972 from cnoeabs.peaks (8.07, 0.96, 24.23 ppm; 4.25 A increased from 3.78 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + QD1 LEU 37 OK 100 100 100 100 4.1-4.2 644=93, 3.0/1973=84...(10) H LEU 41 - QD1 LEU 37 far 0 97 0 - 4.4-5.1 H GLN 47 - QD1 LEU 37 far 0 92 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (4.06, 0.96, 24.23 ppm; 2.97 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 37 + QD1 LEU 37 OK 100 100 100 100 2.0-2.3 1943=97, 1941/2.1=41...(22) HA GLU 33 - QD1 LEU 37 far 0 95 0 - 5.7-6.4 HA LYS 39 - QD1 LEU 37 far 0 76 0 - 7.0-7.4 HA ARG 21 - QD1 LEU 37 far 0 96 0 - 7.0-7.7 HB THR 14 - QD1 LEU 37 far 0 93 0 - 9.4-10.6 HA SER 24 - QD1 LEU 37 far 0 85 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1974 from cnoeabs.peaks (1.66, 0.96, 24.23 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + QD1 LEU 37 OK 100 100 100 100 2.2-2.4 3.1=100 HG3 LYS 22 - QD1 LEU 37 far 0 93 0 - 4.2-5.2 HD3 LYS 42 - QD1 LEU 37 far 0 100 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 1975 from cnoeabs.peaks (1.73, 0.96, 24.23 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + QD1 LEU 37 OK 100 100 100 100 3.2-3.2 3.1=100 HG2 LYS 22 + QD1 LEU 37 OK 59 87 70 98 2.9-3.9 3.0/4815=47, 4152/2.1=38...(14) HD2 LYS 42 - QD1 LEU 37 far 0 96 0 - 7.4-10.4 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (1.56, 0.96, 24.23 ppm; 3.16 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 37 + QD1 LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 39 - QD1 LEU 37 far 0 92 0 - 5.7-6.6 HG3 ARG 34 - QD1 LEU 37 far 0 68 0 - 6.0-6.6 QB ALA 31 - QD1 LEU 37 far 0 100 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 1977 from cnoeabs.peaks (0.92, 0.96, 24.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + QD1 LEU 37 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (0.96, 0.96, 24.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 37 + QD1 LEU 37 OK 100 100 - 100 Peak 1979 from cnoeabs.peaks (8.44, 3.61, 55.88 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA ALA 38 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1980 from cnoeabs.peaks (3.61, 3.61, 55.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 38 + HA ALA 38 OK 100 100 - 100 Peak 1981 from cnoeabs.peaks (1.34, 3.61, 55.88 ppm; 3.08 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 38 + HA ALA 38 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 34 - HA ALA 38 far 0 100 0 - 5.6-6.4 HG2 LYS 42 - HA ALA 38 far 0 97 0 - 7.4-9.4 HG3 LYS 42 - HA ALA 38 far 0 97 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 1982 from cnoeabs.peaks (8.44, 1.34, 17.52 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + QB ALA 38 OK 100 100 100 100 2.1-2.2 647=100, 888/164=42...(9) Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (3.61, 1.34, 17.52 ppm; 2.74 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 38 + QB ALA 38 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 45 + QB ALA 38 OK 23 60 50 76 2.7-3.0 3.0/4510=24, 3.9/4410=23...(9) HA VAL 48 - QB ALA 38 far 0 90 0 - 4.7-4.8 HA LEU 19 - QB ALA 38 far 0 65 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 1984 from cnoeabs.peaks (1.34, 1.34, 17.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 38 + QB ALA 38 OK 100 100 - 100 Peak 1985 from cnoeabs.peaks (7.67, 4.08, 59.02 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-2.8 3.0=100 HE22 GLN 26 - HA GLU 33 far 0 47 0 - 7.0-8.9 H LYS 39 - HA GLU 33 far 0 88 0 - 7.9-8.3 H VAL 48 - HA LYS 39 far 0 98 0 - 8.5-8.7 HE22 GLN 47 - HA LYS 39 far 0 99 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 1986 from cnoeabs.peaks (4.08, 4.08, 59.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 HA GLU 33 + HA GLU 33 OK 82 82 - 100 Peak 1987 from cnoeabs.peaks (1.92, 4.08, 59.02 ppm; 2.78 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 96 100 100 96 2.4-2.4 3.0=80, ~651=20, ~650=20...(14) HB3 LYS 39 + HA LYS 39 OK 95 100 100 95 2.5-2.5 3.0=80, 650/3.0=46...(11) HB2 ARG 34 - HA GLU 33 far 0 74 0 - 5.8-5.8 HB3 LYS 39 - HA GLU 33 far 0 87 0 - 9.0-9.4 HB2 ARG 34 - HA LYS 39 far 0 90 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (1.92, 4.08, 59.02 ppm; 2.78 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 39 + HA LYS 39 OK 96 100 100 96 2.4-2.4 3.0=80, ~651=20, ~650=20...(14) * HB3 LYS 39 + HA LYS 39 OK 95 100 100 95 2.5-2.5 3.0=80, 651/3.0=46...(11) HB2 ARG 34 - HA GLU 33 far 0 77 0 - 5.8-5.8 HB3 LYS 39 - HA GLU 33 far 0 88 0 - 9.0-9.4 HB2 ARG 34 - HA LYS 39 far 0 93 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1989 from cnoeabs.peaks (1.43, 4.08, 59.02 ppm; 3.90 A increased from 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-3.8 3.9=100 HB3 LEU 41 - HA LYS 39 far 0 100 0 - 7.1-7.2 HG2 LYS 39 - HA GLU 33 far 0 88 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 1990 from cnoeabs.peaks (1.54, 4.08, 59.02 ppm; 3.95 A increased from 3.51 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-3.9 3.9=100 QB ALA 31 - HA GLU 33 far 0 79 0 - 6.4-6.5 HG3 LYS 39 - HA GLU 33 far 0 88 0 - 7.2-9.3 HG LEU 37 - HA GLU 33 far 0 76 0 - 7.3-8.0 HG LEU 37 - HA LYS 39 far 0 92 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (1.69, 4.08, 59.02 ppm; 3.87 A): 0 out of 7 assignments used, quality = 0.00: HD2 LYS 42 - HA LYS 39 far 0 68 0 - 4.3-7.2 ! HD2 LYS 39 - HA LYS 39 far 0 100 0 - 4.6-5.5 HD3 LYS 39 - HA LYS 39 far 0 100 0 - 4.7-5.5 HG2 LYS 22 - HA GLU 33 far 0 67 0 - 6.3-7.4 HG3 LYS 22 - HA GLU 33 far 0 74 0 - 7.2-8.4 HD3 LYS 39 - HA GLU 33 far 0 88 0 - 7.4-9.6 HD2 LYS 39 - HA GLU 33 far 0 88 0 - 7.6-9.6 Violated in 18 structures by 0.29 A. Peak 1992 from cnoeabs.peaks (1.69, 4.08, 59.02 ppm; 3.87 A): 0 out of 7 assignments used, quality = 0.00: HD2 LYS 42 - HA LYS 39 far 0 68 0 - 4.3-7.2 HD2 LYS 39 - HA LYS 39 far 0 100 0 - 4.6-5.5 ! HD3 LYS 39 - HA LYS 39 far 0 100 0 - 4.7-5.5 HG2 LYS 22 - HA GLU 33 far 0 67 0 - 6.3-7.4 HG3 LYS 22 - HA GLU 33 far 0 74 0 - 7.2-8.4 HD3 LYS 39 - HA GLU 33 far 0 88 0 - 7.4-9.6 HD2 LYS 39 - HA GLU 33 far 0 88 0 - 7.6-9.6 Violated in 18 structures by 0.29 A. Peak 1995 from cnoeabs.peaks (7.67, 1.92, 32.12 ppm; 2.91 A): 1 out of 3 assignments used, quality = 1.00: H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-2.5 650=100, 653/2.9=33...(14) ! H LYS 39 - HB2 LYS 39 far 0 100 0 - 3.6-3.6 H VAL 48 - HB3 LYS 39 far 0 98 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 1996 from cnoeabs.peaks (4.08, 1.92, 32.12 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-2.4 3.0=100 HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-2.5 3.0=100 HA LEU 37 - HB3 LYS 39 far 0 78 0 - 6.3-6.6 HA LEU 37 - HB2 LYS 39 far 0 78 0 - 7.0-7.1 HA GLU 33 - HB3 LYS 39 far 0 97 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 1997 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Peak 1998 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Reference assignment not found: HB3 LYS 39 - HB2 LYS 39 Peak 1999 from cnoeabs.peaks (1.43, 1.92, 32.12 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LEU 41 - HB2 LYS 39 far 0 100 0 - 9.0-9.1 HB3 LEU 41 - HB3 LYS 39 far 0 100 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (1.54, 1.92, 32.12 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 37 - HB3 LYS 39 far 0 91 0 - 7.8-8.2 HG LEU 37 - HB2 LYS 39 far 0 92 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.79 A increased from 3.37 A): 4 out of 6 assignments used, quality = 1.00: HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.8 3.9=94, 2050/2.9=29...(37) * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.7 3.9=94, 2040/2.9=50...(37) HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.7-3.7 3.9=94, 2040/2.9=29...(38) HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.8 3.9=94, 2040/2.9=50...(38) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.1-7.9 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.3 Violated in 0 structures by 0.00 A. Peak 2002 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.79 A increased from 3.37 A): 4 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.8 3.9=94, 2050/2.9=29...(37) HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.7 3.9=94, 2040/2.9=50...(37) HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.7-3.7 3.9=94, 2040/2.9=29...(38) HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.8 3.9=94, 2040/2.9=50...(38) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.1-7.9 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.3 Violated in 0 structures by 0.00 A. Peak 2003 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=100 * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 2004 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 2005 from cnoeabs.peaks (7.67, 1.92, 32.12 ppm; 2.91 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-2.5 651=100, 653/2.9=33...(14) H LYS 39 - HB2 LYS 39 far 0 100 0 - 3.6-3.6 H VAL 48 - HB3 LYS 39 far 0 98 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (4.08, 1.92, 32.12 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-2.5 3.0=100 HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-2.4 3.0=100 HA LEU 37 - HB3 LYS 39 far 0 78 0 - 6.3-6.6 HA LEU 37 - HB2 LYS 39 far 0 78 0 - 7.0-7.1 HA GLU 33 - HB3 LYS 39 far 0 97 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 2007 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 Reference assignment not found: HB2 LYS 39 - HB3 LYS 39 Peak 2008 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 Peak 2009 from cnoeabs.peaks (1.43, 1.92, 32.12 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 41 - HB2 LYS 39 far 0 100 0 - 9.0-9.1 HB3 LEU 41 - HB3 LYS 39 far 0 100 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (1.54, 1.92, 32.12 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 37 - HB3 LYS 39 far 0 92 0 - 7.8-8.2 HG LEU 37 - HB2 LYS 39 far 0 91 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 2011 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.79 A increased from 3.37 A): 4 out of 6 assignments used, quality = 1.00: HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.7-3.7 3.9=94, 2040/2.9=29...(38) * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.8 3.9=94, 2040/2.9=50...(38) HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.8 3.9=94, 2050/2.9=29...(37) HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.7 3.9=94, 2040/2.9=50...(37) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.1-7.9 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.3 Violated in 0 structures by 0.00 A. Peak 2012 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.79 A increased from 3.37 A): 4 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.7-3.7 3.9=94, 2040/2.9=29...(38) HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.8 3.9=94, 2040/2.9=50...(38) HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.8 3.9=94, 2050/2.9=29...(37) HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.7 3.9=94, 2040/2.9=50...(37) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.1-7.9 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.3 Violated in 0 structures by 0.00 A. Peak 2013 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=100 * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 2014 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 2015 from cnoeabs.peaks (7.67, 1.43, 24.82 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.7 652=100, 650/2.9=91...(9) H LYS 58 - HG3 LYS 62 far 0 98 0 - 4.7-15.4 H LYS 58 - HG2 LYS 62 far 0 98 0 - 4.9-15.1 H LYS 58 - HG2 LYS 60 far 0 92 0 - 6.9-11.1 H LYS 58 - HG3 LYS 60 far 0 93 0 - 7.4-10.3 H VAL 48 - HG2 LYS 39 far 0 98 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2016 from cnoeabs.peaks (4.08, 1.43, 24.82 ppm; 3.89 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 3.7-3.8 3.9=100 HA LEU 37 - HG2 LYS 39 far 0 78 0 - 4.4-5.4 HA LYS 58 - HG3 LYS 62 far 0 65 0 - 4.7-15.1 HA LYS 58 - HG2 LYS 60 far 0 59 0 - 4.8-10.0 HA LYS 58 - HG2 LYS 62 far 0 65 0 - 5.0-15.7 HA ARG 56 - HG3 LYS 62 far 0 99 0 - 5.3-14.9 HA ARG 56 - HG2 LYS 62 far 0 99 0 - 5.3-15.0 HA LYS 58 - HG3 LYS 60 far 0 60 0 - 5.9-9.7 HA ARG 56 - HG2 LYS 60 far 0 93 0 - 6.6-11.4 HA ARG 56 - HG3 LYS 60 far 0 94 0 - 7.0-10.8 HA GLU 33 - HG2 LYS 39 far 0 97 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 2017 from cnoeabs.peaks (1.92, 1.43, 24.82 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 ARG 34 - HG2 LYS 39 far 0 90 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 2018 from cnoeabs.peaks (1.92, 1.43, 24.82 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 34 - HG2 LYS 39 far 0 93 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 2019 from cnoeabs.peaks (1.43, 1.43, 24.82 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 HG2 LYS 62 + HG2 LYS 62 OK 98 98 - 100 HG3 LYS 62 + HG3 LYS 62 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 94 94 - 100 HG2 LYS 60 + HG2 LYS 60 OK 93 93 - 100 Peak 2020 from cnoeabs.peaks (1.54, 1.43, 24.82 ppm; 2.54 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 37 - HG2 LYS 39 far 0 92 0 - 6.7-7.7 HD3 LYS 58 - HG3 LYS 62 far 0 98 0 - 7.9-19.3 HD2 LYS 58 - HG2 LYS 60 far 0 92 0 - 8.0-14.0 HD3 LYS 58 - HG2 LYS 60 far 0 92 0 - 8.2-14.3 HD3 LYS 58 - HG2 LYS 62 far 0 98 0 - 8.6-19.1 HD2 LYS 58 - HG3 LYS 62 far 0 98 0 - 8.6-18.3 HD3 LYS 58 - HG3 LYS 60 far 0 93 0 - 8.9-13.7 HD2 LYS 58 - HG2 LYS 62 far 0 98 0 - 9.0-18.2 HB3 LYS 27 - HG2 LYS 62 far 0 89 0 - 9.1-19.1 HB3 LYS 27 - HG3 LYS 62 far 0 89 0 - 9.2-19.8 HD2 LYS 58 - HG3 LYS 60 far 0 93 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (1.69, 1.43, 24.82 ppm; 3.09 A): 10 out of 23 assignments used, quality = 1.00: HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 70 70 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 70 70 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HG3 LYS 60 OK 69 69 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 68 68 100 100 2.5-3.0 2.9=100 HD3 LYS 62 + HG2 LYS 62 OK 68 68 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 68 68 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 64 64 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 64 64 100 100 2.3-3.0 2.9=100 HD2 LYS 60 - HG3 LYS 62 far 0 75 0 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 61 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 75 0 - 4.7-12.7 HD2 LYS 62 - HG2 LYS 60 far 0 64 0 - 4.8-11.6 HB2 ARG 56 - HG2 LYS 62 far 0 62 0 - 4.9-16.0 HD3 LYS 62 - HG3 LYS 60 far 0 62 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 70 0 - 5.0-11.9 HD2 LYS 62 - HG3 LYS 60 far 0 64 0 - 5.3-11.4 HD2 LYS 42 - HG2 LYS 39 far 0 68 0 - 5.7-8.3 HB2 ARG 56 - HG3 LYS 62 far 0 62 0 - 5.8-16.2 HD3 LYS 60 - HG2 LYS 62 far 0 70 0 - 6.0-12.1 HB2 ARG 56 - HG3 LYS 60 far 0 57 0 - 7.6-13.4 HB2 ARG 56 - HG2 LYS 60 far 0 56 0 - 7.7-14.1 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (1.69, 1.43, 24.82 ppm; 3.09 A): 10 out of 23 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 70 70 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 70 70 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HG3 LYS 60 OK 69 69 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 68 68 100 100 2.5-3.0 2.9=100 HD3 LYS 62 + HG2 LYS 62 OK 68 68 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 68 68 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 64 64 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 64 64 100 100 2.3-3.0 2.9=100 HD2 LYS 60 - HG3 LYS 62 far 0 75 0 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 61 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 75 0 - 4.7-12.7 HD2 LYS 62 - HG2 LYS 60 far 0 64 0 - 4.8-11.6 HB2 ARG 56 - HG2 LYS 62 far 0 62 0 - 4.9-16.0 HD3 LYS 62 - HG3 LYS 60 far 0 62 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 70 0 - 5.0-11.9 HD2 LYS 62 - HG3 LYS 60 far 0 64 0 - 5.3-11.4 HD2 LYS 42 - HG2 LYS 39 far 0 68 0 - 5.7-8.3 HB2 ARG 56 - HG3 LYS 62 far 0 62 0 - 5.8-16.2 HD3 LYS 60 - HG2 LYS 62 far 0 70 0 - 6.0-12.1 HB2 ARG 56 - HG3 LYS 60 far 0 57 0 - 7.6-13.4 HB2 ARG 56 - HG2 LYS 60 far 0 56 0 - 7.7-14.1 Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (2.98, 1.43, 24.82 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: HE2 LYS 62 + HG2 LYS 62 OK 99 99 100 100 2.2-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 98 98 100 100 2.1-3.8 3.7=100 * HE2 LYS 39 + HG2 LYS 39 OK 95 100 95 100 2.1-4.2 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 94 94 100 100 2.1-3.8 3.9=92, ~2978=12...(58) HE3 LYS 62 + HG3 LYS 62 OK 93 98 95 100 2.3-4.2 3.7=100 HE2 LYS 60 + HG3 LYS 60 OK 89 94 95 100 2.4-4.2 3.9=92, ~2978=12...(58) HE2 LYS 62 + HG3 LYS 62 OK 89 99 90 100 2.4-3.9 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 85 100 85 100 2.2-4.2 3.6=100 HE2 LYS 60 + HG2 LYS 60 OK 79 93 85 100 2.5-4.1 3.9=92, ~2978=12...(58) HE3 LYS 60 + HG2 LYS 60 OK 79 93 85 100 2.3-4.2 3.9=92, ~2978=12...(58) HE3 LYS 62 - HG3 LYS 60 far 0 93 0 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 93 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 92 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 99 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 94 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 99 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 99 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 99 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 2024 from cnoeabs.peaks (2.98, 1.43, 24.82 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: HE2 LYS 62 + HG2 LYS 62 OK 99 99 100 100 2.2-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 98 98 100 100 2.1-3.8 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 95 100 95 100 2.1-4.2 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 94 94 100 100 2.1-3.8 3.9=92, ~2978=12...(58) HE3 LYS 62 + HG3 LYS 62 OK 93 98 95 100 2.3-4.2 3.7=100 HE2 LYS 60 + HG3 LYS 60 OK 89 94 95 100 2.4-4.2 3.9=92, ~2978=12...(58) HE2 LYS 62 + HG3 LYS 62 OK 89 99 90 100 2.4-3.9 3.7=100 * HE3 LYS 39 + HG2 LYS 39 OK 85 100 85 100 2.2-4.2 3.6=100 HE2 LYS 60 + HG2 LYS 60 OK 79 93 85 100 2.5-4.1 3.9=92, ~2978=12...(58) HE3 LYS 60 + HG2 LYS 60 OK 79 93 85 100 2.3-4.2 3.9=92, ~2978=12...(58) HE3 LYS 62 - HG3 LYS 60 far 0 93 0 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 93 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 92 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 99 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 94 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 99 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 99 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 99 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (7.67, 1.54, 24.82 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.7 653=100, 650/2.9=90...(10) Violated in 0 structures by 0.00 A. Peak 2026 from cnoeabs.peaks (4.08, 1.54, 24.82 ppm; 4.02 A increased from 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 100 100 3.7-3.9 3.9=100 HA LEU 37 - HG3 LYS 39 far 0 78 0 - 4.3-5.5 HA GLU 33 - HG3 LYS 39 far 0 97 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 2027 from cnoeabs.peaks (1.92, 1.54, 24.82 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 34 - HG3 LYS 39 far 0 90 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2028 from cnoeabs.peaks (1.92, 1.54, 24.82 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 34 - HG3 LYS 39 far 0 93 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (1.43, 1.54, 24.82 ppm; 2.44 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 41 - HG3 LYS 39 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 2030 from cnoeabs.peaks (1.54, 1.54, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 2031 from cnoeabs.peaks (1.69, 1.54, 24.82 ppm; 2.81 A): 2 out of 4 assignments used, quality = 0.87: * HD2 LYS 39 + HG3 LYS 39 OK 78 100 80 97 2.4-3.0 3.0=86, 1.8/2040=26...(27) HD3 LYS 39 + HG3 LYS 39 OK 44 100 45 98 2.3-3.0 3.0=86, 1.8/2040=45...(27) HD2 LYS 42 - HG3 LYS 39 far 0 68 0 - 5.9-9.6 HG2 LYS 22 - HG3 LYS 39 far 0 83 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (1.69, 1.54, 24.82 ppm; 2.81 A): 2 out of 4 assignments used, quality = 0.87: HD2 LYS 39 + HG3 LYS 39 OK 78 100 80 97 2.4-3.0 3.0=86, 1.8/2040=26...(27) * HD3 LYS 39 + HG3 LYS 39 OK 44 100 45 98 2.3-3.0 3.0=86, 1.8/2040=45...(27) HD2 LYS 42 - HG3 LYS 39 far 0 68 0 - 5.9-9.6 HG2 LYS 22 - HG3 LYS 39 far 0 83 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2033 from cnoeabs.peaks (2.98, 1.54, 24.82 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 2034 from cnoeabs.peaks (2.98, 1.54, 24.82 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 2035 from cnoeabs.peaks (7.67, 1.69, 28.78 ppm; 4.77 A increased from 4.49 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-4.8 651/3.9=86, 653/3.0=82...(12) H LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.1-4.9 651/3.9=86, 653/3.0=82...(12) HE22 GLN 47 - HG13 ILE 50 far 0 64 0 - 5.1-9.9 H VAL 48 - HG13 ILE 50 far 0 62 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 2036 from cnoeabs.peaks (4.08, 1.69, 28.78 ppm; 4.07 A): 0 out of 7 assignments used, quality = 0.00: ! HA LYS 39 - HD2 LYS 39 far 0 100 0 - 4.6-5.5 HA LYS 39 - HD3 LYS 39 far 0 100 0 - 4.7-5.5 HB THR 46 - HG13 ILE 50 far 0 45 0 - 5.2-5.8 HA LEU 37 - HD3 LYS 39 far 0 78 0 - 5.9-7.3 HA LEU 37 - HD2 LYS 39 far 0 78 0 - 6.0-7.3 HA GLU 33 - HD3 LYS 39 far 0 97 0 - 7.4-9.6 HA GLU 33 - HD2 LYS 39 far 0 97 0 - 7.6-9.6 Violated in 16 structures by 0.06 A. Peak 2037 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 0.97: HB3 LYS 39 + HD3 LYS 39 OK 62 100 65 96 2.7-3.7 3.9=50, 2.9/2040=20...(27) HB ILE 50 + HG13 ILE 50 OK 57 57 100 100 2.5-2.7 3.0=100 HB2 LYS 39 + HD3 LYS 39 OK 52 100 55 95 2.5-3.8 3.9=50, 2.9/2040=20...(26) HB3 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.4-3.8 3.9=50, 2.9/2040=36...(27) * HB2 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.3-3.7 3.9=50, 2.9/2040=36...(26) HB2 ARG 34 - HD3 LYS 39 far 0 90 0 - 9.2-11.6 HB2 ARG 34 - HD2 LYS 39 far 0 90 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2038 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 0.98: HB3 LYS 39 + HD3 LYS 39 OK 62 100 65 96 2.7-3.7 3.9=50, 2.9/2040=20...(27) HB ILE 50 + HG13 ILE 50 OK 59 59 100 100 2.5-2.7 3.0=100 HB2 LYS 39 + HD3 LYS 39 OK 52 100 55 95 2.5-3.8 3.9=50, 2.9/2040=20...(26) * HB3 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.4-3.8 3.9=50, 2.9/2040=36...(27) HB2 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.3-3.7 3.9=50, 2.9/2040=36...(26) HB2 ARG 34 - HD3 LYS 39 far 0 93 0 - 9.2-11.6 HB2 ARG 34 - HD2 LYS 39 far 0 93 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (1.43, 1.69, 28.78 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2040 from cnoeabs.peaks (1.54, 1.69, 28.78 ppm; 2.63 A): 2 out of 7 assignments used, quality = 0.85: * HG3 LYS 39 + HD2 LYS 39 OK 74 100 80 92 2.4-3.0 3.0=71, 2031/1.8=21...(27) HG3 LYS 39 + HD3 LYS 39 OK 42 100 45 93 2.3-3.0 3.0=71, 2031/1.8=37...(26) HG2 LYS 49 - HG13 ILE 50 far 0 38 0 - 3.5-7.6 HG LEU 37 - HD3 LYS 39 far 0 92 0 - 8.5-9.7 HG LEU 37 - HD2 LYS 39 far 0 92 0 - 8.7-9.7 QB ALA 31 - HD3 LYS 39 far 0 95 0 - 9.6-11.6 QB ALA 31 - HD2 LYS 39 far 0 95 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2041 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Peak 2042 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Reference assignment not found: HD3 LYS 39 - HD2 LYS 39 Peak 2043 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 7 66 10 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 3.1-6.2 Violated in 0 structures by 0.00 A. Peak 2044 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 7 66 10 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 3.1-6.2 Violated in 0 structures by 0.00 A. Peak 2045 from cnoeabs.peaks (7.67, 1.69, 28.78 ppm; 4.77 A increased from 4.49 A): 2 out of 4 assignments used, quality = 1.00: H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-4.8 651/3.9=86, 653/3.0=82...(12) * H LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.1-4.9 651/3.9=86, 653/3.0=82...(12) HE22 GLN 47 - HG13 ILE 50 far 0 64 0 - 5.1-9.9 H VAL 48 - HG13 ILE 50 far 0 62 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 2046 from cnoeabs.peaks (4.08, 1.69, 28.78 ppm; 4.07 A): 0 out of 7 assignments used, quality = 0.00: HA LYS 39 - HD2 LYS 39 far 0 100 0 - 4.6-5.5 ! HA LYS 39 - HD3 LYS 39 far 0 100 0 - 4.7-5.5 HB THR 46 - HG13 ILE 50 far 0 45 0 - 5.2-5.8 HA LEU 37 - HD3 LYS 39 far 0 78 0 - 5.9-7.3 HA LEU 37 - HD2 LYS 39 far 0 78 0 - 6.0-7.3 HA GLU 33 - HD3 LYS 39 far 0 97 0 - 7.4-9.6 HA GLU 33 - HD2 LYS 39 far 0 97 0 - 7.6-9.6 Violated in 16 structures by 0.06 A. Peak 2047 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 0.97: HB3 LYS 39 + HD3 LYS 39 OK 62 100 65 96 2.7-3.7 3.9=50, 2.9/2040=20...(27) HB ILE 50 + HG13 ILE 50 OK 57 57 100 100 2.5-2.7 3.0=100 * HB2 LYS 39 + HD3 LYS 39 OK 52 100 55 95 2.5-3.8 3.9=50, 2.9/2040=20...(26) HB3 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.4-3.8 3.9=50, 2.9/2040=36...(27) HB2 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.3-3.7 3.9=50, 2.9/2040=36...(26) HB2 ARG 34 - HD3 LYS 39 far 0 90 0 - 9.2-11.6 HB2 ARG 34 - HD2 LYS 39 far 0 90 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 0.98: * HB3 LYS 39 + HD3 LYS 39 OK 62 100 65 96 2.7-3.7 3.9=50, 2.9/2040=20...(27) HB ILE 50 + HG13 ILE 50 OK 59 59 100 100 2.5-2.7 3.0=100 HB2 LYS 39 + HD3 LYS 39 OK 52 100 55 95 2.5-3.8 3.9=50, 2.9/2040=20...(26) HB3 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.4-3.8 3.9=50, 2.9/2040=36...(27) HB2 LYS 39 + HD2 LYS 39 OK 43 100 45 95 2.3-3.7 3.9=50, 2.9/2040=36...(26) HB2 ARG 34 - HD3 LYS 39 far 0 93 0 - 9.2-11.6 HB2 ARG 34 - HD2 LYS 39 far 0 93 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2049 from cnoeabs.peaks (1.43, 1.69, 28.78 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2050 from cnoeabs.peaks (1.54, 1.69, 28.78 ppm; 2.63 A): 2 out of 7 assignments used, quality = 0.85: HG3 LYS 39 + HD2 LYS 39 OK 74 100 80 92 2.4-3.0 3.0=71, 2031/1.8=21...(27) * HG3 LYS 39 + HD3 LYS 39 OK 42 100 45 93 2.3-3.0 3.0=71, 2031/1.8=37...(26) HG2 LYS 49 - HG13 ILE 50 far 0 38 0 - 3.5-7.6 HG LEU 37 - HD3 LYS 39 far 0 92 0 - 8.5-9.7 HG LEU 37 - HD2 LYS 39 far 0 92 0 - 8.7-9.7 QB ALA 31 - HD3 LYS 39 far 0 95 0 - 9.6-11.6 QB ALA 31 - HD2 LYS 39 far 0 95 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2051 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 2052 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Peak 2053 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 7 66 10 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 3.1-6.2 Violated in 0 structures by 0.00 A. Peak 2054 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 7 66 10 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 3.1-6.2 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (4.08, 2.98, 41.78 ppm; 6.00 A increased from 4.91 A): 2 out of 18 assignments used, quality = 0.97: HA LYS 39 + HE3 LYS 39 OK 85 100 85 100 4.4-6.1 6.1=93, 1987/4.9=46...(23) * HA LYS 39 + HE2 LYS 39 OK 80 100 80 100 4.4-6.7 6.1=93, 1987/4.9=46...(23) HB THR 46 - HE2 LYS 49 poor 14 39 35 - 5.1-8.8 HB THR 46 - HE3 LYS 49 poor 12 39 30 - 5.3-8.6 HA ARG 56 - HE2 LYS 62 far 11 70 15 - 4.7-16.1 HA LEU 37 - HE3 LYS 39 far 8 78 10 - 5.4-8.3 HA LEU 37 - HE2 LYS 39 far 8 78 10 - 5.6-8.1 HA ARG 56 - HE3 LYS 62 far 7 68 10 - 4.8-15.9 HA LYS 58 - HE3 LYS 62 far 4 39 10 - 3.2-16.7 HA LYS 58 - HE2 LYS 60 far 3 33 10 - 5.3-12.1 HA LYS 58 - HE3 LYS 60 far 3 33 10 - 4.7-12.2 HA LYS 58 - HE2 LYS 62 far 2 41 5 - 3.8-17.4 HA GLU 33 - HE3 LYS 39 far 0 97 0 - 7.1-10.5 HA GLU 33 - HE2 LYS 39 far 0 97 0 - 7.2-10.4 HA ARG 56 - HE3 LYS 60 far 0 58 0 - 8.3-12.6 HA ARG 56 - HE2 LYS 60 far 0 59 0 - 8.4-12.7 HA SER 24 - HE3 LYS 60 far 0 58 0 - 9.6-18.8 HA SER 24 - HE2 LYS 60 far 0 58 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 2057 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 10 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=90, ~2050=30...(32) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=90, ~2050=30...(26) * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=90, ~2050=30...(30) HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=90, ~2050=30...(24) HB ILE 50 - HE2 LYS 49 far 0 50 0 - 5.1-8.6 HB ILE 50 - HE3 LYS 49 far 0 50 0 - 5.5-8.6 HB2 ARG 34 - HE2 LYS 49 far 0 48 0 - 6.6-10.2 HB2 ARG 34 - HE3 LYS 39 far 0 90 0 - 7.9-12.2 HB2 ARG 34 - HE2 LYS 39 far 0 90 0 - 8.1-12.2 HB2 ARG 34 - HE3 LYS 49 far 0 48 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2058 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=90, ~2050=30...(32) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=90, ~2050=30...(26) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=90, ~2050=30...(30) HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=90, ~2050=30...(24) HB ILE 50 - HE2 LYS 49 far 0 52 0 - 5.1-8.6 HB ILE 50 - HE3 LYS 49 far 0 52 0 - 5.5-8.6 HB2 ARG 34 - HE2 LYS 49 far 0 50 0 - 6.6-10.2 HB2 ARG 34 - HE3 LYS 39 far 0 93 0 - 7.9-12.2 HB2 ARG 34 - HE2 LYS 39 far 0 93 0 - 8.1-12.2 HB2 ARG 34 - HE3 LYS 49 far 0 50 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2059 from cnoeabs.peaks (1.43, 2.98, 41.78 ppm; 4.05 A): 10 out of 28 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 95 100 95 100 2.1-4.2 3.6=100 HG2 LYS 39 + HE3 LYS 39 OK 85 100 85 100 2.2-4.2 3.6=100 HG2 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.2-3.8 3.7=100 HG3 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.4-3.9 3.7=100 HG2 LYS 62 + HE3 LYS 62 OK 68 68 100 100 2.1-3.8 3.7=100 HG3 LYS 62 + HE3 LYS 62 OK 64 68 95 100 2.3-4.2 3.7=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-3.8 3.9=100 HG2 LYS 60 + HE2 LYS 60 OK 58 58 100 100 2.5-4.1 3.9=100 HG3 LYS 60 + HE2 LYS 60 OK 56 59 95 100 2.4-4.2 3.9=100 HG2 LYS 60 + HE3 LYS 60 OK 49 58 85 100 2.3-4.2 3.9=100 HG3 LYS 60 - HE3 LYS 62 far 3 68 5 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 70 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 67 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 58 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 70 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 59 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 46 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 44 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 58 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 42 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 59 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 44 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 36 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 63 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 61 0 - 7.8-19.8 HG3 LYS 58 - HE2 LYS 60 far 0 36 0 - 8.2-14.3 HB2 LYS 27 - HE2 LYS 60 far 0 52 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 38 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 2060 from cnoeabs.peaks (1.54, 2.98, 41.78 ppm; 4.17 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-4.2 3.6=100 HG2 LYS 49 + HE3 LYS 49 OK 33 33 100 100 2.2-4.2 3.6=100 HG2 LYS 49 + HE2 LYS 49 OK 33 33 100 100 2.3-3.7 3.6=100 HD3 LYS 58 - HE3 LYS 60 far 0 58 0 - 7.3-15.3 HD2 LYS 58 - HE3 LYS 60 far 0 58 0 - 7.7-15.1 HD2 LYS 58 - HE3 LYS 62 far 0 67 0 - 7.8-19.9 QB ALA 31 - HE2 LYS 49 far 0 51 0 - 7.9-11.3 HB3 LYS 27 - HE3 LYS 62 far 0 57 0 - 8.0-20.5 HG LEU 37 - HE3 LYS 39 far 0 92 0 - 8.1-10.8 HB3 LYS 27 - HE2 LYS 62 far 0 59 0 - 8.2-20.6 HG LEU 37 - HE2 LYS 39 far 0 92 0 - 8.2-10.7 HD2 LYS 58 - HE2 LYS 62 far 0 69 0 - 8.3-19.4 HD3 LYS 58 - HE3 LYS 62 far 0 67 0 - 8.3-21.1 HD2 LYS 58 - HE2 LYS 60 far 0 58 0 - 8.5-15.6 HD3 LYS 58 - HE2 LYS 60 far 0 58 0 - 8.5-15.2 QB ALA 31 - HE3 LYS 49 far 0 51 0 - 8.6-11.9 QB ALA 31 - HE3 LYS 39 far 0 95 0 - 8.7-12.3 QB ALA 31 - HE2 LYS 39 far 0 95 0 - 8.8-12.3 HD3 LYS 58 - HE2 LYS 62 far 0 69 0 - 8.8-20.5 Violated in 0 structures by 0.00 A. Peak 2061 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 32 assignments used, quality = 1.00: HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.4-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.4-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 far 6 58 10 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 3.9-17.9 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 4.6-14.8 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 4.6-16.8 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.1-14.1 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.3-12.0 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 6.4-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 6.8-11.3 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 32 assignments used, quality = 1.00: HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.4-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.4-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 far 6 58 10 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 3.9-17.9 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 4.6-14.8 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 4.6-16.8 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.1-14.1 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.3-12.0 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 6.4-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 6.8-11.3 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2063 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 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 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Peak 2064 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 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 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 2066 from cnoeabs.peaks (4.08, 2.98, 41.78 ppm; 6.00 A increased from 4.91 A): 2 out of 18 assignments used, quality = 0.97: * HA LYS 39 + HE3 LYS 39 OK 85 100 85 100 4.4-6.1 6.1=93, 1987/4.9=46...(23) HA LYS 39 + HE2 LYS 39 OK 80 100 80 100 4.4-6.7 6.1=93, 1987/4.9=46...(23) HB THR 46 - HE2 LYS 49 poor 14 39 35 - 5.1-8.8 HB THR 46 - HE3 LYS 49 poor 12 39 30 - 5.3-8.6 HA ARG 56 - HE2 LYS 62 far 11 70 15 - 4.7-16.1 HA LEU 37 - HE3 LYS 39 far 8 78 10 - 5.4-8.3 HA LEU 37 - HE2 LYS 39 far 8 78 10 - 5.6-8.1 HA ARG 56 - HE3 LYS 62 far 7 68 10 - 4.8-15.9 HA LYS 58 - HE3 LYS 62 far 4 39 10 - 3.2-16.7 HA LYS 58 - HE2 LYS 60 far 3 33 10 - 5.3-12.1 HA LYS 58 - HE3 LYS 60 far 3 33 10 - 4.7-12.2 HA LYS 58 - HE2 LYS 62 far 2 41 5 - 3.8-17.4 HA GLU 33 - HE3 LYS 39 far 0 97 0 - 7.1-10.5 HA GLU 33 - HE2 LYS 39 far 0 97 0 - 7.2-10.4 HA ARG 56 - HE3 LYS 60 far 0 58 0 - 8.3-12.6 HA ARG 56 - HE2 LYS 60 far 0 59 0 - 8.4-12.7 HA SER 24 - HE3 LYS 60 far 0 58 0 - 9.6-18.8 HA SER 24 - HE2 LYS 60 far 0 58 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 2067 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 10 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=90, ~2050=30...(32) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=90, ~2050=30...(26) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=90, ~2050=30...(30) * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=90, ~2050=30...(24) HB ILE 50 - HE2 LYS 49 far 0 50 0 - 5.1-8.6 HB ILE 50 - HE3 LYS 49 far 0 50 0 - 5.5-8.6 HB2 ARG 34 - HE2 LYS 49 far 0 48 0 - 6.6-10.2 HB2 ARG 34 - HE3 LYS 39 far 0 90 0 - 7.9-12.2 HB2 ARG 34 - HE2 LYS 39 far 0 90 0 - 8.1-12.2 HB2 ARG 34 - HE3 LYS 49 far 0 48 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 10 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.8 4.9=90, ~2050=30...(32) * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.6 4.9=90, ~2050=30...(26) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-4.8 4.9=90, ~2050=30...(30) HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.4 4.9=90, ~2050=30...(24) HB ILE 50 - HE2 LYS 49 far 0 52 0 - 5.1-8.6 HB ILE 50 - HE3 LYS 49 far 0 52 0 - 5.5-8.6 HB2 ARG 34 - HE2 LYS 49 far 0 50 0 - 6.6-10.2 HB2 ARG 34 - HE3 LYS 39 far 0 93 0 - 7.9-12.2 HB2 ARG 34 - HE2 LYS 39 far 0 93 0 - 8.1-12.2 HB2 ARG 34 - HE3 LYS 49 far 0 50 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2069 from cnoeabs.peaks (1.43, 2.98, 41.78 ppm; 4.05 A): 10 out of 28 assignments used, quality = 1.00: HG2 LYS 39 + HE2 LYS 39 OK 95 100 95 100 2.1-4.2 3.6=100 * HG2 LYS 39 + HE3 LYS 39 OK 85 100 85 100 2.2-4.2 3.6=100 HG2 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.2-3.8 3.7=100 HG3 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.4-3.9 3.7=100 HG2 LYS 62 + HE3 LYS 62 OK 68 68 100 100 2.1-3.8 3.7=100 HG3 LYS 62 + HE3 LYS 62 OK 64 68 95 100 2.3-4.2 3.7=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-3.8 3.9=100 HG2 LYS 60 + HE2 LYS 60 OK 58 58 100 100 2.5-4.1 3.9=100 HG3 LYS 60 + HE2 LYS 60 OK 56 59 95 100 2.4-4.2 3.9=100 HG2 LYS 60 + HE3 LYS 60 OK 49 58 85 100 2.3-4.2 3.9=100 HG3 LYS 60 - HE3 LYS 62 far 3 68 5 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 70 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 67 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 58 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 70 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 59 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 46 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 44 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 58 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 42 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 59 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 44 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 36 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 63 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 61 0 - 7.8-19.8 HG3 LYS 58 - HE2 LYS 60 far 0 36 0 - 8.2-14.3 HB2 LYS 27 - HE2 LYS 60 far 0 52 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 38 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 2070 from cnoeabs.peaks (1.54, 2.98, 41.78 ppm; 4.17 A): 4 out of 20 assignments used, quality = 1.00: HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-4.2 3.6=100 HG2 LYS 49 + HE3 LYS 49 OK 33 33 100 100 2.2-4.2 3.6=100 HG2 LYS 49 + HE2 LYS 49 OK 33 33 100 100 2.3-3.7 3.6=100 HD3 LYS 58 - HE3 LYS 60 far 0 58 0 - 7.3-15.3 HD2 LYS 58 - HE3 LYS 60 far 0 58 0 - 7.7-15.1 HD2 LYS 58 - HE3 LYS 62 far 0 67 0 - 7.8-19.9 QB ALA 31 - HE2 LYS 49 far 0 51 0 - 7.9-11.3 HB3 LYS 27 - HE3 LYS 62 far 0 57 0 - 8.0-20.5 HG LEU 37 - HE3 LYS 39 far 0 92 0 - 8.1-10.8 HB3 LYS 27 - HE2 LYS 62 far 0 59 0 - 8.2-20.6 HG LEU 37 - HE2 LYS 39 far 0 92 0 - 8.2-10.7 HD2 LYS 58 - HE2 LYS 62 far 0 69 0 - 8.3-19.4 HD3 LYS 58 - HE3 LYS 62 far 0 67 0 - 8.3-21.1 HD2 LYS 58 - HE2 LYS 60 far 0 58 0 - 8.5-15.6 HD3 LYS 58 - HE2 LYS 60 far 0 58 0 - 8.5-15.2 QB ALA 31 - HE3 LYS 49 far 0 51 0 - 8.6-11.9 QB ALA 31 - HE3 LYS 39 far 0 95 0 - 8.7-12.3 QB ALA 31 - HE2 LYS 39 far 0 95 0 - 8.8-12.3 HD3 LYS 58 - HE2 LYS 62 far 0 69 0 - 8.8-20.5 Violated in 0 structures by 0.00 A. Peak 2071 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 32 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.4-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.4-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 far 6 58 10 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 3.9-17.9 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 4.6-14.8 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 4.6-16.8 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.1-14.1 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.3-12.0 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 6.4-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 6.8-11.3 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 32 assignments used, quality = 1.00: HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.4-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.4-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 far 6 58 10 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 3.9-17.9 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 4.6-14.8 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 4.6-16.8 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.1-14.1 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.3-12.0 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 6.4-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 6.8-11.3 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2073 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 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 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 2074 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 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 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Peak 2075 from cnoeabs.peaks (8.02, 4.37, 55.84 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 40 + HA ASN 40 OK 100 100 100 100 2.8-2.9 3.0=100 H HIS 36 - HA ASN 40 far 0 63 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (4.37, 4.37, 55.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HA ASN 40 OK 100 100 - 100 Peak 2077 from cnoeabs.peaks (2.76, 4.37, 55.84 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HA ASN 40 OK 100 100 100 100 2.9-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2078 from cnoeabs.peaks (2.70, 4.37, 55.84 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HA ASN 40 OK 100 100 100 100 2.7-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 2079 from cnoeabs.peaks (7.29, 4.37, 55.84 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HA ASN 40 OK 100 100 100 100 4.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 2080 from cnoeabs.peaks (6.52, 4.37, 55.84 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HA ASN 40 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2081 from cnoeabs.peaks (8.02, 2.76, 38.33 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HB2 ASN 40 OK 100 100 100 100 2.1-2.2 660=100, 661/1.8=73...(9) H HIS 36 - HB2 ASN 40 far 0 63 0 - 6.8-7.0 H LYS 22 - HB2 ASN 40 far 0 96 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2082 from cnoeabs.peaks (4.37, 2.76, 38.33 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HB2 ASN 40 OK 100 100 100 100 2.9-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2083 from cnoeabs.peaks (2.76, 2.76, 38.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HB2 ASN 40 OK 100 100 - 100 Peak 2084 from cnoeabs.peaks (2.70, 2.76, 38.33 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HB2 ASN 40 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (7.29, 2.76, 38.33 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HB2 ASN 40 OK 100 100 100 100 2.3-2.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (6.52, 2.76, 38.33 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HB2 ASN 40 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 2087 from cnoeabs.peaks (8.02, 2.70, 38.33 ppm; 3.68 A increased from 3.27 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HB3 ASN 40 OK 100 100 100 100 3.4-3.5 661=100, 660/1.8=91...(8) H HIS 36 - HB3 ASN 40 far 0 63 0 - 8.5-8.7 H LYS 22 - HB3 ASN 40 far 0 96 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 2088 from cnoeabs.peaks (4.37, 2.70, 38.33 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HB3 ASN 40 OK 100 100 100 100 2.7-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 2089 from cnoeabs.peaks (2.76, 2.70, 38.33 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HB3 ASN 40 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2090 from cnoeabs.peaks (2.70, 2.70, 38.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HB3 ASN 40 OK 100 100 - 100 Peak 2091 from cnoeabs.peaks (7.29, 2.70, 38.33 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HB3 ASN 40 OK 100 100 100 100 2.6-2.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 2092 from cnoeabs.peaks (6.52, 2.70, 38.33 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HB3 ASN 40 OK 100 100 100 100 3.6-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (8.06, 4.34, 54.54 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 41 + HA LEU 41 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 37 - HA LEU 41 far 0 97 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2094 from cnoeabs.peaks (4.34, 4.34, 54.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + HA LEU 41 OK 100 100 - 100 Peak 2095 from cnoeabs.peaks (1.62, 4.34, 54.54 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + HA LEU 41 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLN 15 - HA LEU 41 far 0 90 0 - 6.5-7.5 HB3 LEU 43 - HA LEU 41 far 0 93 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 2096 from cnoeabs.peaks (1.43, 4.34, 54.54 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + HA LEU 41 OK 100 100 100 100 2.3-2.4 3.0=100 HG2 LYS 39 - HA LEU 41 far 0 100 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (1.87, 4.34, 54.54 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 41 + HA LEU 41 OK 100 100 100 100 3.4-3.5 3.7=100 HB2 LYS 42 - HA LEU 41 far 0 76 0 - 5.5-5.7 HB ILE 17 - HA LEU 41 far 0 60 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 2098 from cnoeabs.peaks (0.75, 4.34, 54.54 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.99: * QD2 LEU 41 + HA LEU 41 OK 99 100 100 99 2.1-2.3 2122=95, 669/3.0=31...(12) Violated in 0 structures by 0.00 A. Peak 2099 from cnoeabs.peaks (0.72, 4.34, 54.54 ppm; 2.95 A): 0 out of 3 assignments used, quality = 0.00: ! QD1 LEU 41 - HA LEU 41 far 0 100 0 - 3.8-4.0 HB2 LEU 19 - HA LEU 41 far 0 97 0 - 9.1-9.9 QD1 ILE 17 - HA LEU 41 far 0 85 0 - 9.2-10.2 Violated in 20 structures by 0.92 A. Peak 2100 from cnoeabs.peaks (8.06, 1.62, 42.54 ppm; 3.49 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.7-2.8 666=100, 2107/1.8=64...(10) H LEU 37 - HB2 LEU 41 far 0 97 0 - 7.6-8.0 H GLN 53 - HB3 LEU 68 far 0 50 0 - 7.9-28.1 H GLN 53 - HB2 LEU 68 far 0 37 0 - 8.4-29.8 H ARG 55 - HB2 LEU 68 far 0 44 0 - 8.5-29.4 H GLN 47 - HB2 LEU 41 far 0 100 0 - 8.6-8.9 H ARG 55 - HB3 LEU 68 far 0 60 0 - 8.7-28.4 Violated in 0 structures by 0.00 A. Peak 2101 from cnoeabs.peaks (4.34, 1.62, 42.54 ppm; 3.47 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 41 + HB2 LEU 41 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 68 + HB3 LEU 68 OK 50 50 100 100 2.4-3.0 3.0=100 HA LEU 68 + HB2 LEU 68 OK 37 37 100 100 2.4-3.0 3.0=100 HA GLU 67 - HB2 LEU 68 far 0 31 0 - 4.0-6.5 HA GLU 67 - HB3 LEU 68 far 0 43 0 - 4.5-5.8 HA GLN 63 - HB3 LEU 64 far 0 62 0 - 4.5-6.2 HA GLU 67 - HB3 LEU 64 far 0 59 0 - 5.4-11.8 HA ASN 54 - HB2 LEU 68 far 0 48 0 - 5.8-28.9 HA ASN 54 - HB3 LEU 68 far 0 64 0 - 5.9-28.7 HA GLN 63 - HB2 LEU 68 far 0 32 0 - 6.3-15.3 HA GLN 63 - HB3 LEU 68 far 0 45 0 - 7.8-16.3 HA LEU 68 - HB3 LEU 64 far 0 69 0 - 8.1-14.9 HA HIS 36 - HB2 LEU 41 far 0 76 0 - 9.0-9.3 HA ASN 54 - HB3 LEU 64 far 0 85 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 2102 from cnoeabs.peaks (1.62, 1.62, 42.54 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + HB2 LEU 41 OK 100 100 - 100 HB3 LEU 64 + HB3 LEU 64 OK 96 96 - 100 HB3 LEU 68 + HB3 LEU 68 OK 66 66 - 100 HB2 LEU 68 + HB2 LEU 68 OK 42 42 - 100 Peak 2103 from cnoeabs.peaks (1.43, 1.62, 42.54 ppm; 2.82 A): 1 out of 22 assignments used, quality = 1.00: * HB3 LEU 41 + HB2 LEU 41 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 62 - HB3 LEU 64 far 0 95 0 - 3.2-10.9 HG2 LYS 60 - HB2 LEU 68 far 0 57 0 - 3.8-23.3 HG3 LYS 62 - HB3 LEU 64 far 0 95 0 - 3.9-11.5 HG2 LYS 60 - HB3 LEU 68 far 0 76 0 - 4.7-24.2 HG2 LYS 62 - HB2 LEU 68 far 0 56 0 - 5.0-19.2 HG3 LYS 60 - HB2 LEU 68 far 0 57 0 - 5.1-24.9 HG3 LYS 60 - HB3 LEU 68 far 0 76 0 - 5.8-25.7 HG3 LYS 62 - HB2 LEU 68 far 0 56 0 - 6.3-19.3 HG2 LYS 62 - HB3 LEU 68 far 0 74 0 - 6.7-20.0 HB2 LYS 27 - HB3 LEU 64 far 0 92 0 - 6.8-23.6 HG2 LYS 39 - HB2 LEU 41 far 0 100 0 - 7.4-7.5 HG3 LYS 58 - HB3 LEU 64 far 0 59 0 - 7.8-21.9 HG3 LYS 58 - HB2 LEU 68 far 0 31 0 - 7.9-28.7 HG3 LYS 62 - HB3 LEU 68 far 0 74 0 - 7.9-20.0 HG3 ARG 56 - HB3 LEU 64 far 0 62 0 - 8.1-21.9 HG3 LYS 58 - HB3 LEU 68 far 0 43 0 - 8.3-29.7 HG3 ARG 56 - HB2 LEU 68 far 0 32 0 - 8.7-25.8 HG2 LYS 60 - HB3 LEU 64 far 0 96 0 - 8.9-15.6 HG3 LYS 60 - HB3 LEU 64 far 0 96 0 - 9.1-17.2 HG3 ARG 56 - HB3 LEU 68 far 0 45 0 - 9.2-24.3 HB2 LYS 27 - HB2 LEU 68 far 0 54 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (1.87, 1.62, 42.54 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LYS 42 - HB2 LEU 41 far 0 76 0 - 6.1-6.4 HB ILE 17 - HB2 LEU 41 far 0 60 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (0.75, 1.62, 42.54 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + HB2 LEU 41 OK 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2106 from cnoeabs.peaks (0.72, 1.62, 42.54 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.3-2.5 3.1=100 HB2 LEU 19 - HB2 LEU 41 far 0 97 0 - 7.4-8.1 QD1 ILE 17 - HB2 LEU 41 far 0 85 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (8.06, 1.43, 42.54 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 41 + HB3 LEU 41 OK 100 100 100 100 3.7-3.7 667=98, 666/1.8=85...(11) H LEU 37 - HB3 LEU 41 far 0 97 0 - 9.0-9.3 H LYS 22 - HB3 LEU 41 far 0 65 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (4.34, 1.43, 42.54 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (1.62, 1.43, 42.54 ppm; 2.79 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + HB3 LEU 41 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 15 - HB3 LEU 41 far 0 90 0 - 4.8-5.6 HB3 LEU 43 - HB3 LEU 41 far 0 93 0 - 5.7-6.0 HG3 ARG 21 - HB3 LEU 41 far 0 95 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (1.43, 1.43, 42.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + HB3 LEU 41 OK 100 100 - 100 Peak 2111 from cnoeabs.peaks (1.87, 1.43, 42.54 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 41 + HB3 LEU 41 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 42 - HB3 LEU 41 far 0 76 0 - 6.3-6.7 HB ILE 17 - HB3 LEU 41 far 0 60 0 - 7.9-8.7 HG2 ARG 21 - HB3 LEU 41 far 0 99 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2112 from cnoeabs.peaks (0.75, 1.43, 42.54 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.3-2.5 3.1=100 Violated in 0 structures by 0.00 A. Peak 2113 from cnoeabs.peaks (0.72, 1.43, 42.54 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.2-2.4 3.1=100 HB2 LEU 19 - HB3 LEU 41 far 0 97 0 - 7.0-7.8 QD1 ILE 17 - HB3 LEU 41 far 0 85 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (8.06, 1.87, 26.77 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 41 + HG LEU 41 OK 100 100 100 100 2.3-2.5 668=100, 669/2.1=66...(12) H LEU 37 - HG LEU 41 far 0 97 0 - 6.2-6.4 H LYS 22 - HG LEU 41 far 0 65 0 - 8.4-9.0 H GLN 47 - HG LEU 41 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2115 from cnoeabs.peaks (4.34, 1.87, 26.77 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 41 + HG LEU 41 OK 100 100 100 100 3.4-3.5 3.7=100 HA HIS 36 - HG LEU 41 far 0 76 0 - 7.8-7.9 HA LYS 22 - HG LEU 41 far 0 97 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2116 from cnoeabs.peaks (1.62, 1.87, 26.77 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + HG LEU 41 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LEU 43 - HG LEU 41 far 0 93 0 - 6.1-6.6 HB3 GLN 15 - HG LEU 41 far 0 90 0 - 7.3-8.2 HG3 ARG 21 - HG LEU 41 far 0 95 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (1.43, 1.87, 26.77 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + HG LEU 41 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 39 - HG LEU 41 far 0 100 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 2118 from cnoeabs.peaks (1.87, 1.87, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + HG LEU 41 OK 100 100 - 100 Peak 2119 from cnoeabs.peaks (0.75, 1.87, 26.77 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + HG LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2120 from cnoeabs.peaks (0.72, 1.87, 26.77 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 41 + HG LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 19 - HG LEU 41 far 0 97 0 - 7.1-7.9 QD1 ILE 17 - HG LEU 41 far 0 85 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2121 from cnoeabs.peaks (8.06, 0.75, 22.71 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 41 + QD2 LEU 41 OK 100 100 100 100 3.0-3.2 669=100, 668/2.1=84...(13) H LYS 22 - QD2 LEU 41 far 0 65 0 - 6.4-7.3 H LEU 37 - QD2 LEU 41 far 0 97 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (4.34, 0.75, 22.71 ppm; 2.89 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.1-2.3 2098=100, 3.0/669=32...(12) HA HIS 36 - QD2 LEU 41 far 0 76 0 - 7.7-7.9 HA LYS 22 - QD2 LEU 41 far 0 97 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (1.62, 0.75, 22.71 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + QD2 LEU 41 OK 100 100 100 100 3.2-3.2 3.1=100 HB3 GLN 15 - QD2 LEU 41 far 0 90 0 - 5.2-6.1 HG3 ARG 21 - QD2 LEU 41 far 0 95 0 - 6.3-8.7 HB3 LEU 43 - QD2 LEU 41 far 0 93 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 2124 from cnoeabs.peaks (1.43, 0.75, 22.71 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.3-2.5 3.1=100 HG2 LYS 39 - QD2 LEU 41 far 0 100 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 2125 from cnoeabs.peaks (1.87, 0.75, 22.71 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 17 - QD2 LEU 41 far 0 60 0 - 5.7-6.5 HG2 ARG 21 - QD2 LEU 41 far 0 99 0 - 6.5-8.2 HB2 LYS 42 - QD2 LEU 41 far 0 76 0 - 6.9-7.1 HB2 GLU 33 - QD2 LEU 41 far 0 90 0 - 9.3-10.0 HB3 ARG 34 - QD2 LEU 41 far 0 99 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2126 from cnoeabs.peaks (0.75, 0.75, 22.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + QD2 LEU 41 OK 100 100 - 100 Peak 2127 from cnoeabs.peaks (0.72, 0.75, 22.71 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 41 + QD2 LEU 41 OK 100 100 100 100 1.9-2.1 2.1=100 HB2 LEU 19 - QD2 LEU 41 far 0 97 0 - 5.6-6.6 QD1 ILE 17 - QD2 LEU 41 far 0 85 0 - 6.6-7.3 HG LEU 29 - QD2 LEU 41 far 0 78 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (8.06, 0.72, 26.10 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 41 + QD1 LEU 41 OK 100 100 100 100 3.7-4.0 670=100, 668/2.1=88...(14) H LYS 22 - QD1 LEU 41 far 0 65 0 - 5.9-6.4 H LEU 37 - QD1 LEU 41 far 0 97 0 - 6.2-6.5 H GLN 47 - QD1 LEU 41 far 0 100 0 - 8.0-8.4 H GLN 53 - QD1 LEU 41 far 0 76 0 - 9.1-10.2 H ARG 55 - QD1 LEU 41 far 0 87 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (4.34, 0.72, 26.10 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 41 + QD1 LEU 41 OK 100 100 100 100 3.8-4.0 4.0=100 HA LYS 22 - QD1 LEU 41 far 0 97 0 - 7.5-8.1 HA HIS 36 - QD1 LEU 41 far 0 76 0 - 8.0-8.3 HA LYS 49 - QD1 LEU 41 far 0 96 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 2130 from cnoeabs.peaks (1.62, 0.72, 26.10 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.3-2.5 3.1=100 HB3 GLN 15 - QD1 LEU 41 far 0 90 0 - 4.6-5.3 HB3 LEU 43 - QD1 LEU 41 far 0 93 0 - 4.9-5.3 HG3 ARG 21 - QD1 LEU 41 far 0 95 0 - 6.5-9.0 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (1.43, 0.72, 26.10 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.2-2.4 3.1=100 HG2 LYS 39 - QD1 LEU 41 far 0 100 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (1.87, 0.72, 26.10 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 17 - QD1 LEU 41 far 0 60 0 - 6.0-6.7 HG2 ARG 21 - QD1 LEU 41 far 0 99 0 - 6.6-8.3 HB2 LYS 42 - QD1 LEU 41 far 0 76 0 - 7.4-7.7 HB3 ARG 34 - QD1 LEU 41 far 0 99 0 - 8.2-8.7 HB2 GLU 33 - QD1 LEU 41 far 0 90 0 - 8.6-9.4 HB3 LYS 49 - QD1 LEU 41 far 0 93 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (0.75, 0.72, 26.10 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 41 + QD1 LEU 41 OK 100 100 100 100 1.9-2.1 2.1=100 HG LEU 29 - QD1 LEU 41 far 0 99 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 2134 from cnoeabs.peaks (0.72, 0.72, 26.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + QD1 LEU 41 OK 100 100 - 100 Peak 2135 from cnoeabs.peaks (7.90, 3.98, 57.60 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HA LYS 42 OK 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 2136 from cnoeabs.peaks (3.98, 3.98, 57.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 42 + HA LYS 42 OK 100 100 - 100 Peak 2137 from cnoeabs.peaks (1.89, 3.98, 57.60 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + HA LYS 42 OK 100 100 100 100 2.4-2.6 3.0=100 HG LEU 41 - HA LYS 42 far 0 76 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 2138 from cnoeabs.peaks (2.15, 3.98, 57.60 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + HA LYS 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 48 - HA LYS 42 far 0 97 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2139 from cnoeabs.peaks (1.35, 3.98, 57.60 ppm; 3.77 A increased from 3.18 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 42 + HA LYS 42 OK 100 100 100 100 3.2-3.6 3.9=92, 3.0/2196=48...(17) HG3 LYS 42 + HA LYS 42 OK 100 100 100 100 2.2-3.8 3.9=92, 3.0/2196=48...(17) QB ALA 38 - HA LYS 42 far 0 97 0 - 5.5-5.8 Violated in 0 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (1.35, 3.98, 57.60 ppm; 3.77 A increased from 3.18 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 42 + HA LYS 42 OK 100 100 100 100 3.2-3.6 3.9=92, 3.0/2196=48...(17) * HG3 LYS 42 + HA LYS 42 OK 100 100 100 100 2.2-3.8 3.9=92, 3.0/2196=48...(17) QB ALA 38 - HA LYS 42 far 0 97 0 - 5.5-5.8 Violated in 0 structures by 0.00 A. Peak 2141 from cnoeabs.peaks (1.72, 3.98, 57.60 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 42 + HA LYS 42 OK 100 100 100 100 2.3-4.4 2186=96, 1.8/2196=79...(16) HD3 LYS 39 - HA LYS 42 far 0 68 0 - 7.3-8.7 HD2 LYS 39 - HA LYS 42 far 0 68 0 - 7.4-8.6 HB3 LEU 37 - HA LYS 42 far 0 96 0 - 9.8-10.1 Violated in 1 structures by 0.00 A. Peak 2142 from cnoeabs.peaks (1.66, 3.98, 57.60 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.99: * HD3 LYS 42 + HA LYS 42 OK 99 100 100 99 2.0-4.3 4.8=99 Violated in 0 structures by 0.00 A. Peak 2145 from cnoeabs.peaks (7.90, 1.89, 28.29 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HB2 LYS 42 OK 100 100 100 100 4.0-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 2146 from cnoeabs.peaks (3.98, 1.89, 28.29 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 2147 from cnoeabs.peaks (1.89, 1.89, 28.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 42 + HB2 LYS 42 OK 100 100 - 100 Peak 2148 from cnoeabs.peaks (2.15, 1.89, 28.29 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2149 from cnoeabs.peaks (1.35, 1.89, 28.29 ppm; 3.14 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 QB ALA 38 - HB2 LYS 42 far 0 97 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 2150 from cnoeabs.peaks (1.35, 1.89, 28.29 ppm; 3.14 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 QB ALA 38 - HB2 LYS 42 far 0 97 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 2151 from cnoeabs.peaks (1.72, 1.89, 28.29 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.95: * HD2 LYS 42 + HB2 LYS 42 OK 95 100 95 100 2.4-4.1 3.8=100 HD3 LYS 39 - HB2 LYS 42 far 0 68 0 - 9.5-11.0 HD2 LYS 39 - HB2 LYS 42 far 0 68 0 - 9.6-11.1 Violated in 3 structures by 0.01 A. Peak 2152 from cnoeabs.peaks (1.66, 1.89, 28.29 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-3.6 3.8=100 HB3 GLN 15 - HB2 LYS 42 far 0 65 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 2155 from cnoeabs.peaks (7.90, 2.15, 28.29 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + HB3 LYS 42 OK 100 100 100 100 3.3-3.7 4.0=100 H GLY 69 - HB2 GLN 53 far 0 84 0 - 6.4-28.8 Violated in 0 structures by 0.00 A. Peak 2156 from cnoeabs.peaks (3.98, 2.15, 28.29 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 42 + HB3 LYS 42 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 47 - HB2 GLN 53 far 0 60 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (1.89, 2.15, 28.29 ppm; 2.59 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 49 - HB2 GLN 53 far 0 81 0 - 6.3-8.8 HG LEU 41 - HB3 LYS 42 far 0 76 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 2158 from cnoeabs.peaks (2.15, 2.15, 28.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + HB3 LYS 42 OK 100 100 - 100 HB2 GLN 53 + HB2 GLN 53 OK 85 85 - 100 Peak 2159 from cnoeabs.peaks (1.35, 2.15, 28.29 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 * HG2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 QB ALA 38 - HB3 LYS 42 far 0 97 0 - 7.0-7.2 HG2 LYS 58 - HB2 GLN 53 far 0 84 0 - 8.0-10.6 HD3 LYS 27 - HB2 GLN 53 far 0 62 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 2160 from cnoeabs.peaks (1.35, 2.15, 28.29 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 QB ALA 38 - HB3 LYS 42 far 0 97 0 - 7.0-7.2 HG2 LYS 58 - HB2 GLN 53 far 0 84 0 - 8.0-10.6 HD3 LYS 27 - HB2 GLN 53 far 0 62 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 2161 from cnoeabs.peaks (1.72, 2.15, 28.29 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.7-3.8 3.8=98, 1.8/2198=76...(16) HD2 LYS 49 - HB2 GLN 53 far 3 70 5 - 3.7-8.8 HD3 LYS 49 - HB2 GLN 53 far 3 68 5 - 3.7-9.0 HG13 ILE 50 - HB2 GLN 53 far 0 47 0 - 5.0-7.0 HB2 ARG 56 - HB2 GLN 53 far 0 85 0 - 5.6-7.3 HB3 LYS 58 - HB2 GLN 53 far 0 79 0 - 8.9-9.9 HD3 LYS 39 - HB3 LYS 42 far 0 68 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2162 from cnoeabs.peaks (1.66, 2.15, 28.29 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * HD3 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.0-3.7 3.8=100 HB3 LEU 68 - HB2 GLN 53 far 0 45 0 - 4.4-28.6 HB2 LEU 68 - HB2 GLN 53 far 0 56 0 - 5.2-28.6 HB3 GLN 15 - HB3 LYS 42 far 0 65 0 - 7.7-8.4 HD2 LYS 62 - HB2 GLN 53 far 0 80 0 - 8.1-23.8 HD3 LYS 62 - HB2 GLN 53 far 0 81 0 - 8.5-22.7 HB2 LEU 64 - HB2 GLN 53 far 0 85 0 - 9.8-26.0 Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (7.90, 1.35, 24.91 ppm; 4.54 A increased from 3.82 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.8-4.6 4.9=81, 672/3.9=78...(16) H LYS 42 + HG3 LYS 42 OK 100 100 100 100 3.0-4.4 4.9=81, 672/3.9=78...(16) H GLY 69 - HG2 LYS 58 far 0 98 0 - 6.2-29.2 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (3.98, 1.35, 24.91 ppm; 3.75 A increased from 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 42 + HG2 LYS 42 OK 100 100 100 100 3.2-3.6 3.9=90, 2196/3.0=47...(17) HA LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.8 3.9=90, 2196/3.0=47...(17) Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (1.89, 1.35, 24.91 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 HG LEU 41 - HG2 LYS 42 far 0 76 0 - 6.3-8.9 HG LEU 41 - HG3 LYS 42 far 0 76 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (2.15, 1.35, 24.91 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 * HB3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 HB2 GLN 53 - HG2 LYS 58 far 0 98 0 - 8.0-10.6 Violated in 0 structures by 0.00 A. Peak 2169 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 * HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Peak 2170 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Reference assignment not found: HG3 LYS 42 - HG2 LYS 42 Peak 2171 from cnoeabs.peaks (1.72, 1.35, 24.91 ppm; 3.35 A): 3 out of 9 assignments used, quality = 1.00: HD2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 + HG2 LYS 58 OK 93 93 100 100 2.2-3.0 2.8=100 HB3 ARG 61 - HG2 LYS 58 far 0 96 0 - 4.8-13.5 HB2 ARG 56 - HG2 LYS 58 far 0 98 0 - 7.0-9.7 HD3 LYS 39 - HG3 LYS 42 far 0 68 0 - 7.8-11.4 HD2 LYS 39 - HG3 LYS 42 far 0 68 0 - 8.2-11.2 HD3 LYS 39 - HG2 LYS 42 far 0 68 0 - 8.8-11.0 HD2 LYS 39 - HG2 LYS 42 far 0 68 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (1.66, 1.35, 24.91 ppm; 3.45 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 60 - HG2 LYS 58 far 0 92 0 - 5.2-13.6 HD3 LYS 60 - HG2 LYS 58 far 0 94 0 - 6.2-14.1 HB2 LEU 68 - HG2 LYS 58 far 0 69 0 - 6.6-29.8 HB3 LEU 68 - HG2 LYS 58 far 0 56 0 - 7.0-30.9 HD2 LYS 62 - HG2 LYS 58 far 0 94 0 - 8.4-19.2 HB3 GLN 15 - HG2 LYS 42 far 0 65 0 - 8.6-10.9 HD3 LYS 62 - HG2 LYS 58 far 0 95 0 - 8.7-19.0 HB3 GLN 15 - HG3 LYS 42 far 0 65 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 2173 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.6 3.6=100 HE3 LYS 42 + HG2 LYS 42 OK 95 100 95 100 2.3-3.8 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 90 100 90 100 2.4-4.0 3.6=100 HE2 LYS 42 + HG3 LYS 42 OK 80 100 80 100 2.3-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 2174 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.6 3.6=100 * HE3 LYS 42 + HG2 LYS 42 OK 95 100 95 100 2.3-3.8 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 90 100 90 100 2.4-4.0 3.6=100 HE2 LYS 42 + HG3 LYS 42 OK 80 100 80 100 2.3-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (7.90, 1.35, 24.91 ppm; 4.54 A increased from 3.82 A): 2 out of 3 assignments used, quality = 1.00: H LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.8-4.6 4.9=81, 672/3.9=78...(16) * H LYS 42 + HG3 LYS 42 OK 100 100 100 100 3.0-4.4 4.9=81, 672/3.9=78...(16) H GLY 69 - HG2 LYS 58 far 0 98 0 - 6.2-29.2 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (3.98, 1.35, 24.91 ppm; 3.75 A increased from 3.33 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 42 + HG2 LYS 42 OK 100 100 100 100 3.2-3.6 3.9=90, 2196/3.0=47...(17) * HA LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.8 3.9=90, 2196/3.0=47...(17) Violated in 0 structures by 0.00 A. Peak 2177 from cnoeabs.peaks (1.89, 1.35, 24.91 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.0 2.9=100 * HB2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 HG LEU 41 - HG2 LYS 42 far 0 76 0 - 6.3-8.9 HG LEU 41 - HG3 LYS 42 far 0 76 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (2.15, 1.35, 24.91 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-2.8 2.9=100 HB2 GLN 53 - HG2 LYS 58 far 0 98 0 - 8.0-10.6 Violated in 0 structures by 0.00 A. Peak 2179 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Reference assignment not found: HG2 LYS 42 - HG3 LYS 42 Peak 2180 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Peak 2181 from cnoeabs.peaks (1.72, 1.35, 24.91 ppm; 3.35 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 + HG2 LYS 58 OK 93 93 100 100 2.2-3.0 2.8=100 HB3 ARG 61 - HG2 LYS 58 far 0 96 0 - 4.8-13.5 HB2 ARG 56 - HG2 LYS 58 far 0 98 0 - 7.0-9.7 HD3 LYS 39 - HG3 LYS 42 far 0 68 0 - 7.8-11.4 HD2 LYS 39 - HG3 LYS 42 far 0 68 0 - 8.2-11.2 HD3 LYS 39 - HG2 LYS 42 far 0 68 0 - 8.8-11.0 HD2 LYS 39 - HG2 LYS 42 far 0 68 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (1.66, 1.35, 24.91 ppm; 3.45 A): 2 out of 10 assignments used, quality = 1.00: HD3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 60 - HG2 LYS 58 far 0 92 0 - 5.2-13.6 HD3 LYS 60 - HG2 LYS 58 far 0 94 0 - 6.2-14.1 HB2 LEU 68 - HG2 LYS 58 far 0 69 0 - 6.6-29.8 HB3 LEU 68 - HG2 LYS 58 far 0 56 0 - 7.0-30.9 HD2 LYS 62 - HG2 LYS 58 far 0 94 0 - 8.4-19.2 HB3 GLN 15 - HG2 LYS 42 far 0 65 0 - 8.6-10.9 HD3 LYS 62 - HG2 LYS 58 far 0 95 0 - 8.7-19.0 HB3 GLN 15 - HG3 LYS 42 far 0 65 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.6 3.6=100 HE3 LYS 42 + HG2 LYS 42 OK 95 100 95 100 2.3-3.8 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 90 100 90 100 2.4-4.0 3.6=100 * HE2 LYS 42 + HG3 LYS 42 OK 80 100 80 100 2.3-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.6 3.6=100 HE3 LYS 42 + HG2 LYS 42 OK 95 100 95 100 2.3-3.8 3.6=100 * HE3 LYS 42 + HG3 LYS 42 OK 90 100 90 100 2.4-4.0 3.6=100 HE2 LYS 42 + HG3 LYS 42 OK 80 100 80 100 2.3-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 2186 from cnoeabs.peaks (3.98, 1.72, 29.04 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.3-4.4 2141=100, 2196/1.8=81...(16) HA GLN 47 - HD3 LYS 49 far 0 24 0 - 6.0-8.8 HA GLN 47 - HD2 LYS 49 far 0 26 0 - 6.8-9.2 HA ALA 35 - HD3 LYS 49 far 0 37 0 - 8.6-12.0 HA ALA 35 - HD2 LYS 49 far 0 40 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 2187 from cnoeabs.peaks (1.89, 1.72, 29.04 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.94: * HB2 LYS 42 + HD2 LYS 42 OK 85 100 85 100 2.4-4.1 3.8=100 HB3 LYS 49 + HD2 LYS 49 OK 36 37 95 100 2.7-4.2 3.7=100 HB3 LYS 49 + HD3 LYS 49 OK 33 35 95 100 2.1-4.2 3.7=100 HG LEU 41 - HD2 LYS 42 far 0 76 0 - 5.7-8.9 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (2.15, 1.72, 29.04 ppm; 4.03 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.7-3.8 3.8=100 HB2 LYS 49 + HD2 LYS 49 OK 22 22 100 100 2.1-3.9 3.7=100 HB2 LYS 49 + HD3 LYS 49 OK 20 20 100 100 2.2-3.6 3.7=100 HB2 GLN 53 - HD2 LYS 49 far 4 40 10 - 3.7-8.8 HB2 GLN 53 - HD3 LYS 49 far 2 37 5 - 3.7-9.0 HB VAL 48 - HD3 LYS 49 far 0 34 0 - 6.0-8.1 HB VAL 48 - HD2 LYS 49 far 0 36 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (1.35, 1.72, 29.04 ppm; 3.36 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 34 - HD3 LYS 49 far 0 32 0 - 5.5-8.7 HG2 ARG 34 - HD2 LYS 49 far 0 35 0 - 6.4-9.4 QB ALA 38 - HD2 LYS 42 far 0 97 0 - 7.0-9.1 QB ALA 38 - HD3 LYS 49 far 0 34 0 - 7.5-9.6 QB ALA 38 - HD2 LYS 49 far 0 37 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (1.35, 1.72, 29.04 ppm; 3.36 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 34 - HD3 LYS 49 far 0 32 0 - 5.5-8.7 HG2 ARG 34 - HD2 LYS 49 far 0 35 0 - 6.4-9.4 QB ALA 38 - HD2 LYS 42 far 0 97 0 - 7.0-9.1 QB ALA 38 - HD3 LYS 49 far 0 34 0 - 7.5-9.6 QB ALA 38 - HD2 LYS 49 far 0 37 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (1.72, 1.72, 29.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 31 31 - 100 HD3 LYS 49 + HD3 LYS 49 OK 28 28 - 100 Peak 2192 from cnoeabs.peaks (1.66, 1.72, 29.04 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 15 - HD2 LYS 42 far 0 65 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (3.02, 1.72, 29.04 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2194 from cnoeabs.peaks (3.02, 1.72, 29.04 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2195 from cnoeabs.peaks (7.90, 1.66, 29.04 ppm; 4.88 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.8-4.2 678=100, 677/1.8=86...(14) H GLY 69 - HD2 LYS 60 far 0 66 0 - 6.6-24.3 H GLY 69 - HD3 LYS 60 far 0 71 0 - 6.8-25.1 H GLY 69 - HD2 LYS 62 far 0 71 0 - 7.2-21.7 H GLY 69 - HD3 LYS 62 far 0 73 0 - 8.1-21.0 H THR 14 - HD3 LYS 42 far 0 95 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2196 from cnoeabs.peaks (3.98, 1.66, 29.04 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.0-4.3 2141/1.8=76, 2142=75...(15) Violated in 0 structures by 0.00 A. Peak 2197 from cnoeabs.peaks (1.89, 1.66, 29.04 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.6 3.8=100 HG LEU 41 - HD3 LYS 42 far 0 76 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (2.15, 1.66, 29.04 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.0-3.7 3.8=92, 2161/1.8=72...(17) HB2 GLN 53 - HD2 LYS 62 far 0 71 0 - 8.1-23.8 HB2 GLN 53 - HD3 LYS 62 far 0 74 0 - 8.5-22.7 Violated in 1 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (1.35, 1.66, 29.04 ppm; 4.02 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 58 - HD2 LYS 60 far 0 65 0 - 5.2-13.6 HG2 LYS 58 - HD3 LYS 60 far 0 71 0 - 6.2-14.1 QB ALA 38 - HD3 LYS 42 far 0 97 0 - 6.8-8.5 HD3 LYS 27 - HD3 LYS 62 far 0 53 0 - 8.2-19.5 HG2 LYS 58 - HD2 LYS 62 far 0 71 0 - 8.4-19.2 HG2 LYS 58 - HD3 LYS 62 far 0 73 0 - 8.7-19.0 HD3 LYS 27 - HD2 LYS 62 far 0 51 0 - 9.2-19.6 HD3 LYS 27 - HD3 LYS 60 far 0 51 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (1.35, 1.66, 29.04 ppm; 4.02 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 * HG3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 58 - HD2 LYS 60 far 0 65 0 - 5.2-13.6 HG2 LYS 58 - HD3 LYS 60 far 0 71 0 - 6.2-14.1 QB ALA 38 - HD3 LYS 42 far 0 97 0 - 6.8-8.5 HD3 LYS 27 - HD3 LYS 62 far 0 53 0 - 8.2-19.5 HG2 LYS 58 - HD2 LYS 62 far 0 71 0 - 8.4-19.2 HG2 LYS 58 - HD3 LYS 62 far 0 73 0 - 8.7-19.0 HD3 LYS 27 - HD2 LYS 62 far 0 51 0 - 9.2-19.6 HD3 LYS 27 - HD3 LYS 60 far 0 51 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (1.72, 1.66, 29.04 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HD2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 61 - HD3 LYS 62 far 0 72 0 - 3.4-8.9 HB2 ARG 56 - HD3 LYS 62 far 0 74 0 - 3.6-16.5 HB2 ARG 56 - HD2 LYS 62 far 0 72 0 - 4.2-17.7 HB3 ARG 61 - HD2 LYS 62 far 0 69 0 - 4.4-9.2 HB3 ARG 61 - HD2 LYS 60 far 0 64 0 - 5.0-9.2 HB3 ARG 61 - HD3 LYS 60 far 0 69 0 - 5.6-8.5 HB3 LYS 58 - HD2 LYS 60 far 0 61 0 - 6.7-12.5 HD3 LYS 39 - HD3 LYS 42 far 0 68 0 - 7.0-11.3 HD2 LYS 39 - HD3 LYS 42 far 0 68 0 - 7.3-11.2 HB3 LYS 58 - HD3 LYS 60 far 0 66 0 - 7.8-12.6 HB3 LYS 58 - HD2 LYS 62 far 0 66 0 - 7.8-17.6 HB3 LYS 58 - HD3 LYS 62 far 0 68 0 - 8.2-17.2 HB2 ARG 56 - HD3 LYS 60 far 0 72 0 - 8.7-14.1 HB2 ARG 56 - HD2 LYS 60 far 0 67 0 - 8.9-14.5 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (1.66, 1.66, 29.04 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 42 + HD3 LYS 42 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 70 70 - 100 HD2 LYS 62 + HD2 LYS 62 OK 67 67 - 100 HD3 LYS 60 + HD3 LYS 60 OK 67 67 - 100 HD2 LYS 60 + HD2 LYS 60 OK 60 60 - 100 Peak 2203 from cnoeabs.peaks (3.02, 1.66, 29.04 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2204 from cnoeabs.peaks (3.02, 1.66, 29.04 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (3.98, 3.02, 42.11 ppm; 4.46 A): 0 out of 2 assignments used, quality = 0.00: ! HA LYS 42 - HE2 LYS 42 poor 20 100 20 100 4.1-6.0 2196/3.0=66, 2141/3.0=65...(14) HA LYS 42 - HE3 LYS 42 far 0 100 0 - 4.6-5.8 Violated in 10 structures by 0.18 A. Peak 2207 from cnoeabs.peaks (1.89, 3.02, 42.11 ppm; 4.86 A): 2 out of 4 assignments used, quality = 0.97: HB2 LYS 42 + HE3 LYS 42 OK 85 100 85 100 3.9-5.5 4.9=95, ~2198=60...(15) * HB2 LYS 42 + HE2 LYS 42 OK 80 100 80 100 2.7-5.4 4.9=95, 3.0/2216=73...(14) HG LEU 41 - HE2 LYS 42 far 0 76 0 - 7.1-9.2 HG LEU 41 - HE3 LYS 42 far 0 76 0 - 7.4-9.7 Violated in 0 structures by 0.00 A. Peak 2209 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: * HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.6 3.6=95, 3.9/2206=33...(8) HG2 LYS 42 + HE3 LYS 42 OK 89 100 90 98 2.3-3.8 3.6=95, ~2198=21...(8) HG3 LYS 42 + HE2 LYS 42 OK 79 100 80 99 2.3-4.0 3.6=95, 3.9/2206=33...(8) HG3 LYS 42 + HE3 LYS 42 OK 79 100 80 98 2.4-4.0 3.6=95, ~2198=21...(8) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.8-10.2 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 2210 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.6 3.6=95, 3.9/2206=33...(8) HG2 LYS 42 + HE3 LYS 42 OK 89 100 90 98 2.3-3.8 3.6=95, ~2198=21...(8) * HG3 LYS 42 + HE2 LYS 42 OK 79 100 80 99 2.3-4.0 3.6=95, 3.9/2206=33...(8) HG3 LYS 42 + HE3 LYS 42 OK 79 100 80 98 2.4-4.0 3.6=95, ~2198=21...(8) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.8-10.2 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 2211 from cnoeabs.peaks (1.72, 3.02, 42.11 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 - HE2 LYS 42 far 0 68 0 - 7.5-12.4 HD3 LYS 39 - HE2 LYS 42 far 0 68 0 - 7.6-11.8 HD3 LYS 39 - HE3 LYS 42 far 0 68 0 - 8.8-12.2 HD2 LYS 39 - HE3 LYS 42 far 0 68 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (1.66, 3.02, 42.11 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 15 - HE2 LYS 42 far 0 65 0 - 8.3-12.1 HB3 GLN 15 - HE3 LYS 42 far 0 65 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 * HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Peak 2214 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Reference assignment not found: HE3 LYS 42 - HE2 LYS 42 Peak 2216 from cnoeabs.peaks (3.98, 3.02, 42.11 ppm; 4.46 A): 0 out of 2 assignments used, quality = 0.00: HA LYS 42 - HE2 LYS 42 poor 20 100 20 100 4.1-6.0 2196/3.0=66, 2141/3.0=65...(14) ! HA LYS 42 - HE3 LYS 42 far 0 100 0 - 4.6-5.8 Violated in 10 structures by 0.18 A. Peak 2217 from cnoeabs.peaks (1.89, 3.02, 42.11 ppm; 4.86 A): 2 out of 4 assignments used, quality = 0.97: * HB2 LYS 42 + HE3 LYS 42 OK 85 100 85 100 3.9-5.5 4.9=95, ~2198=60...(15) HB2 LYS 42 + HE2 LYS 42 OK 80 100 80 100 2.7-5.4 4.9=95, 3.0/2216=73...(14) HG LEU 41 - HE2 LYS 42 far 0 76 0 - 7.1-9.2 HG LEU 41 - HE3 LYS 42 far 0 76 0 - 7.4-9.7 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.6 3.6=95, 3.9/2206=33...(8) * HG2 LYS 42 + HE3 LYS 42 OK 89 100 90 98 2.3-3.8 3.6=95, ~2198=21...(8) HG3 LYS 42 + HE2 LYS 42 OK 79 100 80 99 2.3-4.0 3.6=95, 3.9/2206=33...(8) HG3 LYS 42 + HE3 LYS 42 OK 79 100 80 98 2.4-4.0 3.6=95, ~2198=21...(8) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.8-10.2 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 2220 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.6 3.6=95, 3.9/2206=33...(8) HG2 LYS 42 + HE3 LYS 42 OK 89 100 90 98 2.3-3.8 3.6=95, ~2198=21...(8) HG3 LYS 42 + HE2 LYS 42 OK 79 100 80 99 2.3-4.0 3.6=95, 3.9/2206=33...(8) * HG3 LYS 42 + HE3 LYS 42 OK 79 100 80 98 2.4-4.0 3.6=95, ~2198=21...(8) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.8-10.2 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 2221 from cnoeabs.peaks (1.72, 3.02, 42.11 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 - HE2 LYS 42 far 0 68 0 - 7.5-12.4 HD3 LYS 39 - HE2 LYS 42 far 0 68 0 - 7.6-11.8 HD3 LYS 39 - HE3 LYS 42 far 0 68 0 - 8.8-12.2 HD2 LYS 39 - HE3 LYS 42 far 0 68 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 2222 from cnoeabs.peaks (1.66, 3.02, 42.11 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 15 - HE2 LYS 42 far 0 65 0 - 8.3-12.1 HB3 GLN 15 - HE3 LYS 42 far 0 65 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 2223 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Reference assignment not found: HE2 LYS 42 - HE3 LYS 42 Peak 2224 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Peak 2225 from cnoeabs.peaks (8.33, 4.87, 52.54 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2226 from cnoeabs.peaks (4.87, 4.87, 52.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HA LEU 43 OK 100 100 - 100 Peak 2227 from cnoeabs.peaks (1.23, 4.87, 52.54 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 QG2 THR 46 - HA LEU 43 far 0 71 0 - 8.2-8.4 HG LEU 19 - HA LEU 43 far 0 92 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (1.60, 4.87, 52.54 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LEU 41 - HA LEU 43 far 0 93 0 - 4.9-5.2 HG3 ARG 34 - HA LEU 43 far 0 89 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 2229 from cnoeabs.peaks (1.47, 4.87, 52.54 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.9-3.2 3.7=86, 2.1/2230=79...(9) QB ALA 35 - HA LEU 43 far 0 92 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 2230 from cnoeabs.peaks (0.85, 4.87, 52.54 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.98: * QD2 LEU 43 + HA LEU 43 OK 98 100 100 98 2.0-2.5 2254=82, 2.1/2229=47...(9) Violated in 0 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (0.66, 4.87, 52.54 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (8.33, 1.23, 47.68 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.4-2.7 683=100, 685/3.0=62...(12) Violated in 0 structures by 0.00 A. Peak 2233 from cnoeabs.peaks (4.87, 1.23, 47.68 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2234 from cnoeabs.peaks (1.23, 1.23, 47.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 Peak 2235 from cnoeabs.peaks (1.60, 1.23, 47.68 ppm; 2.95 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 41 + HB2 LEU 43 OK 24 93 30 84 2.8-3.3 684/683=34, 4820/3.1=32...(8) HG3 ARG 34 - HB2 LEU 43 far 0 89 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 2236 from cnoeabs.peaks (1.47, 1.23, 47.68 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.5-2.6 3.0=100 QB ALA 35 - HB2 LEU 43 far 0 92 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 2237 from cnoeabs.peaks (0.85, 1.23, 47.68 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.1-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2238 from cnoeabs.peaks (0.66, 1.23, 47.68 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.0-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 2239 from cnoeabs.peaks (8.33, 1.60, 47.68 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2240 from cnoeabs.peaks (4.87, 1.60, 47.68 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2241 from cnoeabs.peaks (1.23, 1.60, 47.68 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 46 - HB3 LEU 43 far 0 71 0 - 7.0-7.4 HG LEU 19 - HB3 LEU 43 far 0 92 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 2242 from cnoeabs.peaks (1.60, 1.60, 47.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB3 LEU 43 OK 100 100 - 100 Peak 2243 from cnoeabs.peaks (1.47, 1.60, 47.68 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 35 - HB3 LEU 43 far 0 92 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (0.85, 1.60, 47.68 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.1-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 2245 from cnoeabs.peaks (0.66, 1.60, 47.68 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.3-2.6 3.1=100 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (8.33, 1.47, 26.44 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 2.7-3.0 685=100, 687/2.1=83...(11) Violated in 0 structures by 0.00 A. Peak 2247 from cnoeabs.peaks (4.87, 1.47, 26.44 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.9-3.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 2248 from cnoeabs.peaks (1.23, 1.47, 26.44 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.5-2.6 3.0=100 HG LEU 19 - HG LEU 43 far 0 92 0 - 6.2-6.9 QG2 THR 14 - HG LEU 43 far 0 87 0 - 8.7-9.3 QG2 THR 46 - HG LEU 43 far 0 71 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 2249 from cnoeabs.peaks (1.60, 1.47, 26.44 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 41 + HG LEU 43 OK 89 93 100 95 2.0-2.8 4820/2.1=55, 684/685=43...(10) HG3 ARG 34 - HG LEU 43 far 0 89 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (1.47, 1.47, 26.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HG LEU 43 OK 100 100 - 100 Peak 2251 from cnoeabs.peaks (0.85, 1.47, 26.44 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * QD2 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 2252 from cnoeabs.peaks (0.66, 1.47, 26.44 ppm; 4.01 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 2253 from cnoeabs.peaks (8.33, 0.85, 24.31 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.6-4.1 686=100, 685/2.1=93...(8) Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (4.87, 0.85, 24.31 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.0-2.5 2230=100, 2229/2.1=54...(9) Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (1.23, 0.85, 24.31 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.1-3.2 3.1=100 HG LEU 19 - QD2 LEU 43 far 0 92 0 - 6.1-6.7 QG2 THR 46 - QD2 LEU 43 far 0 71 0 - 6.9-7.4 QG2 THR 14 - QD2 LEU 43 far 0 87 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 2256 from cnoeabs.peaks (1.60, 0.85, 24.31 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.4 3.1=100 HB2 LEU 41 - QD2 LEU 43 far 0 93 0 - 3.6-4.3 HG3 ARG 34 - QD2 LEU 43 far 0 89 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 2257 from cnoeabs.peaks (1.47, 0.85, 24.31 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 35 - QD2 LEU 43 far 0 92 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (0.85, 0.85, 24.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 2259 from cnoeabs.peaks (0.66, 0.85, 24.31 ppm; 2.83 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 2260 from cnoeabs.peaks (8.33, 0.66, 27.60 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.6-4.0 4.8=100 H ARG 21 - QD1 LEU 43 far 0 89 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 2261 from cnoeabs.peaks (4.87, 0.66, 27.60 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (1.23, 0.66, 27.60 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.4 3.1=100 HG LEU 19 - QD1 LEU 43 far 9 92 10 - 3.7-4.2 QG2 THR 14 - QD1 LEU 43 far 0 87 0 - 6.9-7.7 QG2 THR 46 - QD1 LEU 43 far 0 71 0 - 7.1-7.7 HB2 LEU 29 - QD1 LEU 43 far 0 89 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (1.60, 0.66, 27.60 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.3-2.6 3.1=100 HB2 LEU 41 + QD1 LEU 43 OK 92 93 100 98 2.0-2.6 1.8/4819=61, 4820=55...(12) HG3 ARG 34 - QD1 LEU 43 far 0 89 0 - 6.8-7.5 HG3 ARG 21 - QD1 LEU 43 far 0 100 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (1.47, 0.66, 27.60 ppm; 3.47 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 QB ALA 35 - QD1 LEU 43 far 0 92 0 - 8.3-8.5 HB3 LEU 29 - QD1 LEU 43 far 0 97 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2265 from cnoeabs.peaks (0.85, 0.66, 27.60 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2266 from cnoeabs.peaks (0.66, 0.66, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD1 LEU 43 OK 100 100 - 100 Peak 2267 from cnoeabs.peaks (8.84, 4.65, 60.29 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HA THR 44 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2268 from cnoeabs.peaks (4.65, 4.65, 60.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + HA THR 44 OK 100 100 - 100 Peak 2269 from cnoeabs.peaks (4.78, 4.65, 60.29 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + HA THR 44 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2270 from cnoeabs.peaks (1.28, 4.65, 60.29 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + HA THR 44 OK 100 100 100 100 2.3-2.4 3.2=100 HG12 ILE 50 - HA THR 44 far 0 99 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 2271 from cnoeabs.peaks (8.84, 4.78, 70.74 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HB THR 44 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2272 from cnoeabs.peaks (4.65, 4.78, 70.74 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + HB THR 44 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2273 from cnoeabs.peaks (4.78, 4.78, 70.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + HB THR 44 OK 100 100 - 100 Peak 2274 from cnoeabs.peaks (1.28, 4.78, 70.74 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + HB THR 44 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 50 - HB THR 44 far 0 99 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 2275 from cnoeabs.peaks (8.84, 1.28, 21.70 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.99: * H THR 44 + QG2 THR 44 OK 99 100 100 99 2.4-2.9 691=99, 4.6/208=23...(5) Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (4.65, 1.28, 21.70 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 44 + QG2 THR 44 OK 100 100 100 100 2.3-2.4 3.2=100 HA MET 11 - QG2 THR 44 far 0 99 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 2277 from cnoeabs.peaks (4.78, 1.28, 21.70 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 44 + QG2 THR 44 OK 100 100 100 100 2.1-2.1 2.1=100 HA PHE 23 - QG2 THR 59 far 0 53 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2278 from cnoeabs.peaks (1.28, 1.28, 21.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + QG2 THR 44 OK 100 100 - 100 QG2 THR 59 + QG2 THR 59 OK 83 83 - 100 Peak 2279 from cnoeabs.peaks (9.24, 3.64, 61.08 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HA GLU 45 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2280 from cnoeabs.peaks (3.64, 3.64, 61.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 45 + HA GLU 45 OK 100 100 - 100 Peak 2281 from cnoeabs.peaks (2.04, 3.64, 61.08 ppm; 3.25 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 45 + HA GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 GLU 45 + HA GLU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLU 45 + HA GLU 45 OK 64 65 100 98 2.3-2.8 3.9=60, 1.8/2298=54...(15) Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (2.05, 3.64, 61.08 ppm; 3.25 A): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 45 + HA GLU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 45 + HA GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 GLU 45 + HA GLU 45 OK 70 71 100 98 2.3-2.8 3.9=60, 1.8/2298=54...(15) Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (2.40, 3.64, 61.08 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 45 + HA GLU 45 OK 100 100 100 100 2.5-2.8 3.9=100 HG3 GLN 47 - HA GLU 45 far 0 100 0 - 6.4-8.0 HG2 MET 11 - HA GLU 45 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 2284 from cnoeabs.peaks (2.07, 3.64, 61.08 ppm; 3.12 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 45 + HA GLU 45 OK 98 100 100 98 2.3-2.8 2304=58, 1.8/2298=49...(15) HB3 GLU 45 + HA GLU 45 OK 71 71 100 100 3.0-3.0 3.0=100 HB2 GLU 45 + HA GLU 45 OK 65 65 100 100 2.5-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2285 from cnoeabs.peaks (9.24, 2.04, 29.23 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 45 + HB2 GLU 45 OK 100 100 100 100 3.5-3.6 4.0=100 H GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.2-2.4 4.0=100 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (3.64, 2.04, 29.23 ppm; 3.61 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HA GLU 45 + HB3 GLU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 19 - HB3 GLU 20 far 0 67 0 - 5.6-5.8 HA VAL 48 - HB2 GLU 45 far 0 95 0 - 7.5-8.1 HA ALA 38 - HB3 GLU 45 far 0 60 0 - 7.6-8.1 HA ALA 38 - HB2 GLU 45 far 0 60 0 - 7.7-8.2 HA VAL 48 - HB3 GLU 45 far 0 94 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 2287 from cnoeabs.peaks (2.04, 2.04, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 66 66 - 100 Peak 2288 from cnoeabs.peaks (2.05, 2.04, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 65 65 - 100 Reference assignment not found: HB3 GLU 45 - HB2 GLU 45 Peak 2289 from cnoeabs.peaks (2.40, 2.04, 29.23 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 45 + HB2 GLU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 GLU 20 + HB3 GLU 20 OK 40 40 100 100 2.2-2.4 3.0=100 HG3 GLU 18 - HB3 GLU 20 far 0 63 0 - 6.8-7.3 HB3 LYS 22 - HB3 GLU 20 far 0 52 0 - 7.1-8.0 HG3 GLN 47 - HB3 GLU 45 far 0 99 0 - 7.2-8.9 HG3 GLN 47 - HB2 GLU 45 far 0 100 0 - 7.8-9.4 HD2 ARG 55 - HB3 GLU 20 far 0 63 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2290 from cnoeabs.peaks (2.07, 2.04, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HB3 GLU 45 + HB3 GLU 45 OK 70 70 - 100 HB2 GLU 45 + HB2 GLU 45 OK 65 65 - 100 Reference assignment not found: HG3 GLU 45 - HB2 GLU 45 Peak 2291 from cnoeabs.peaks (9.24, 2.05, 29.23 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.2-2.4 4.0=100 H GLU 45 + HB2 GLU 45 OK 100 100 100 100 3.5-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (3.64, 2.05, 29.23 ppm; 3.61 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 45 + HB3 GLU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HA LEU 19 - HB3 GLU 20 far 0 65 0 - 5.6-5.8 HA VAL 48 - HB2 GLU 45 far 0 94 0 - 7.5-8.1 HA ALA 38 - HB3 GLU 45 far 0 60 0 - 7.6-8.1 HA ALA 38 - HB2 GLU 45 far 0 60 0 - 7.7-8.2 HA VAL 48 - HB3 GLU 45 far 0 95 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 2293 from cnoeabs.peaks (2.04, 2.05, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 64 64 - 100 Reference assignment not found: HB2 GLU 45 - HB3 GLU 45 Peak 2294 from cnoeabs.peaks (2.05, 2.05, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 63 63 - 100 Peak 2295 from cnoeabs.peaks (2.40, 2.05, 29.23 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.4-2.6 3.0=100 HG2 GLU 45 + HB2 GLU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLU 20 + HB3 GLU 20 OK 39 39 100 100 2.2-2.4 3.0=100 HG3 GLU 18 - HB3 GLU 20 far 0 61 0 - 6.8-7.3 HB3 LYS 22 - HB3 GLU 20 far 0 50 0 - 7.1-8.0 HG3 GLN 47 - HB3 GLU 45 far 0 100 0 - 7.2-8.9 HG3 GLN 47 - HB2 GLU 45 far 0 99 0 - 7.8-9.4 HD2 ARG 55 - HB3 GLU 20 far 0 61 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2296 from cnoeabs.peaks (2.07, 2.05, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HB3 GLU 45 + HB3 GLU 45 OK 71 71 - 100 HB2 GLU 45 + HB2 GLU 45 OK 65 65 - 100 Reference assignment not found: HG3 GLU 45 - HB3 GLU 45 Peak 2297 from cnoeabs.peaks (9.24, 2.40, 37.98 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HG2 GLU 45 OK 100 100 100 100 2.4-2.8 696=100, 694/3.0=68...(11) Violated in 0 structures by 0.00 A. Peak 2298 from cnoeabs.peaks (3.64, 2.40, 37.98 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + HG2 GLU 45 OK 100 100 100 100 2.5-2.8 3.9=97, 2304/1.8=76...(12) HA ALA 38 - HG2 GLU 45 far 0 60 0 - 5.9-6.6 HA VAL 48 - HG2 GLU 45 far 0 95 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 2299 from cnoeabs.peaks (2.04, 2.40, 37.98 ppm; 2.81 A): 2 out of 3 assignments used, quality = 0.98: HB3 GLU 45 + HG2 GLU 45 OK 95 100 100 95 2.4-2.6 3.0=81, 694/696=30...(9) HG3 GLU 45 + HG2 GLU 45 OK 65 65 100 100 1.8-1.8 1.8=100 ! HB2 GLU 45 - HG2 GLU 45 far 0 100 0 - 3.0-3.0 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (2.05, 2.40, 37.98 ppm; 2.81 A): 2 out of 3 assignments used, quality = 0.98: * HB3 GLU 45 + HG2 GLU 45 OK 95 100 100 95 2.4-2.6 3.0=81, 695/696=30...(9) HG3 GLU 45 + HG2 GLU 45 OK 71 71 100 100 1.8-1.8 1.8=100 HB2 GLU 45 - HG2 GLU 45 far 0 100 0 - 3.0-3.0 Violated in 0 structures by 0.00 A. Peak 2301 from cnoeabs.peaks (2.40, 2.40, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 45 + HG2 GLU 45 OK 100 100 - 100 Peak 2302 from cnoeabs.peaks (2.07, 2.40, 37.98 ppm; 2.56 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 45 + HG2 GLU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 45 + HG2 GLU 45 OK 60 71 100 85 2.4-2.6 3.0=61, 697/696=24...(8) HB2 GLU 45 - HG2 GLU 45 far 0 65 0 - 3.0-3.0 Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (9.24, 2.07, 37.98 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HG3 GLU 45 OK 100 100 100 100 3.8-4.1 696/1.8=93, 4.7=80...(6) Violated in 0 structures by 0.00 A. Peak 2304 from cnoeabs.peaks (3.64, 2.07, 37.98 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + HG3 GLU 45 OK 100 100 100 100 2.3-2.8 3.9=92, 2298/1.8=72...(15) HA ALA 38 - HG3 GLU 45 far 0 60 0 - 6.5-7.1 HA VAL 48 - HG3 GLU 45 far 0 95 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (2.04, 2.07, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HG3 GLU 45 + HG3 GLU 45 OK 65 65 - 100 Reference assignment not found: HB2 GLU 45 - HG3 GLU 45 Peak 2306 from cnoeabs.peaks (2.05, 2.07, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: HG3 GLU 45 + HG3 GLU 45 OK 71 71 - 100 Reference assignment not found: HB3 GLU 45 - HG3 GLU 45 Peak 2307 from cnoeabs.peaks (2.40, 2.07, 37.98 ppm; 2.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 45 + HG3 GLU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 47 - HG3 GLU 45 far 0 100 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 2308 from cnoeabs.peaks (2.07, 2.07, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 45 + HG3 GLU 45 OK 100 100 - 100 Peak 2309 from cnoeabs.peaks (8.14, 3.90, 66.50 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H THR 46 + HA THR 46 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 35 - HA THR 46 far 0 98 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 2310 from cnoeabs.peaks (3.90, 3.90, 66.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HA THR 46 OK 100 100 - 100 Peak 2311 from cnoeabs.peaks (4.06, 3.90, 66.50 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + HA THR 46 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (1.25, 3.90, 66.50 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.99: * QG2 THR 46 + HA THR 46 OK 99 100 100 99 2.2-2.4 3.2=95, 701/2.9=37...(10) HB2 LEU 43 - HA THR 46 far 0 71 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (8.14, 4.06, 68.82 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HB THR 46 OK 100 100 100 100 2.5-2.6 700=100, 701/2.1=61...(5) Violated in 0 structures by 0.00 A. Peak 2314 from cnoeabs.peaks (3.90, 4.06, 68.82 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HB THR 46 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2315 from cnoeabs.peaks (4.06, 4.06, 68.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 46 + HB THR 46 OK 100 100 - 100 HB THR 14 + HB THR 14 OK 43 43 - 100 Peak 2316 from cnoeabs.peaks (1.25, 4.06, 68.82 ppm; 2.93 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 46 + HB THR 46 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - HB THR 46 far 0 71 0 - 7.9-8.5 HG LEU 19 - HB THR 14 far 0 47 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 2317 from cnoeabs.peaks (8.14, 1.25, 21.98 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + QG2 THR 46 OK 100 100 100 100 3.8-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2318 from cnoeabs.peaks (3.90, 1.25, 21.98 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + QG2 THR 46 OK 100 100 100 100 2.2-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 2319 from cnoeabs.peaks (4.06, 1.25, 21.98 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + QG2 THR 46 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2320 from cnoeabs.peaks (1.25, 1.25, 21.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 46 + QG2 THR 46 OK 100 100 - 100 Peak 2321 from cnoeabs.peaks (8.05, 3.96, 59.66 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 47 + HA GLN 47 OK 100 100 100 100 2.8-2.8 3.0=100 H GLN 53 - HA GLN 47 far 0 87 0 - 7.8-8.4 H ARG 55 - HA GLN 47 far 0 76 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (3.96, 3.96, 59.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + HA GLN 47 OK 100 100 - 100 Peak 2323 from cnoeabs.peaks (2.58, 3.96, 59.66 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HA GLN 47 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2324 from cnoeabs.peaks (1.83, 3.96, 59.66 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HA GLN 47 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 MET 11 - HA GLN 47 far 0 98 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (2.55, 3.96, 59.66 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HA GLN 47 OK 100 100 100 100 2.4-3.3 1.8/2326=71, 2346=69...(18) Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (2.40, 3.96, 59.66 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 47 + HA GLN 47 OK 100 100 100 100 2.2-3.5 2354=76, 1.8/2325=72...(18) HG2 MET 11 - HA GLN 47 far 0 89 0 - 6.1-7.4 HG2 GLU 45 - HA GLN 47 far 0 100 0 - 8.9-9.3 HD2 ARG 55 - HA GLN 47 far 0 100 0 - 9.1-11.4 Violated in 1 structures by 0.00 A. Peak 2327 from cnoeabs.peaks (6.91, 3.96, 59.66 ppm; 5.35 A increased from 5.04 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 47 + HA GLN 47 OK 100 100 100 100 4.0-5.3 3.4/2325=92, 3.4/2326=92...(15) HD22 ASN 54 - HA GLN 47 far 0 100 0 - 7.1-8.8 HE21 GLN 53 - HA GLN 47 far 0 71 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 2329 from cnoeabs.peaks (8.05, 2.58, 29.96 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + HB2 GLN 47 OK 100 100 100 100 2.3-2.5 704=100, 705/1.8=85...(12) H LEU 41 - HB2 GLN 47 far 0 100 0 - 7.9-8.6 H GLN 53 - HB2 GLN 47 far 0 87 0 - 9.6-10.2 H LEU 37 - HB2 GLN 47 far 0 92 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (3.96, 2.58, 29.96 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + HB2 GLN 47 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 42 - HB2 GLN 47 far 0 78 0 - 8.1-8.7 HA ALA 35 - HB2 GLN 47 far 0 76 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 2331 from cnoeabs.peaks (2.58, 2.58, 29.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 Peak 2332 from cnoeabs.peaks (1.83, 2.58, 29.96 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HB2 GLN 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 11 - HB2 GLN 47 far 0 98 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (2.55, 2.58, 29.96 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HB2 GLN 47 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2334 from cnoeabs.peaks (2.40, 2.58, 29.96 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + HB2 GLN 47 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 MET 11 - HB2 GLN 47 far 0 89 0 - 5.4-7.0 HG2 GLU 45 - HB2 GLN 47 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (8.05, 1.83, 29.96 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 47 + HB3 GLN 47 OK 100 100 100 100 3.5-3.6 4.0=100 H LEU 41 - HB3 GLN 47 far 0 100 0 - 8.3-9.6 H GLN 53 - HB3 GLN 47 far 0 87 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 2338 from cnoeabs.peaks (3.96, 1.83, 29.96 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.5-2.6 3.0=100 HA LYS 42 - HB3 GLN 47 far 0 78 0 - 8.7-9.8 HB3 SER 12 - HB3 GLN 47 far 0 97 0 - 9.5-12.9 HA ALA 35 - HB3 GLN 47 far 0 76 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (1.83, 1.83, 29.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 Peak 2343 from cnoeabs.peaks (6.91, 1.83, 29.96 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.1-3.6 4.6=100 HD22 ASN 54 - HB3 GLN 47 far 0 100 0 - 7.9-10.0 HE21 GLN 53 - HB3 GLN 47 far 0 71 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2345 from cnoeabs.peaks (8.05, 2.55, 35.63 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + HG2 GLN 47 OK 100 100 100 100 2.2-2.9 706=100, 707/1.8=78...(12) H LEU 41 - HG2 GLN 47 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2346 from cnoeabs.peaks (3.96, 2.55, 35.63 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + HG2 GLN 47 OK 100 100 100 100 2.4-3.3 3.8=100 HA LYS 42 - HG2 GLN 47 far 0 78 0 - 8.7-10.6 HA ALA 35 - HG2 GLN 47 far 0 76 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (2.58, 2.55, 35.63 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLN 47 + HG2 GLN 47 OK 99 100 100 99 2.3-3.0 3.0=89, 3.0/2325=38...(16) Violated in 1 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (1.83, 2.55, 35.63 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HG2 GLN 47 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 MET 11 - HG2 GLN 47 far 0 98 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 2349 from cnoeabs.peaks (2.55, 2.55, 35.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 Peak 2350 from cnoeabs.peaks (2.40, 2.55, 35.63 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + HG2 GLN 47 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 11 - HG2 GLN 47 far 0 89 0 - 5.9-8.1 HG2 GLU 45 - HG2 GLN 47 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (6.91, 2.55, 35.63 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 47 + HG2 GLN 47 OK 100 100 100 100 3.5-4.1 3.4=100 HD22 ASN 54 - HG2 GLN 47 far 0 100 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 2352 from cnoeabs.peaks (7.67, 2.55, 35.63 ppm; 4.23 A increased from 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 47 + HG2 GLN 47 OK 100 100 100 100 3.5-4.1 3.4=100 H VAL 48 + HG2 GLN 47 OK 27 90 30 100 4.2-4.6 897/706=70, 3.6/2325=67...(7) H LYS 39 - HG2 GLN 47 far 0 99 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 2353 from cnoeabs.peaks (8.05, 2.40, 35.63 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.5-3.6 707=100, 706/1.8=96...(12) H LYS 22 - HG3 GLU 18 far 0 40 0 - 7.2-8.0 H LEU 41 - HG3 GLU 18 far 0 58 0 - 7.7-8.7 H LEU 41 - HG3 GLN 47 far 0 100 0 - 9.8-11.3 H GLN 53 - HG3 GLN 47 far 0 87 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2354 from cnoeabs.peaks (3.96, 2.40, 35.63 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.2-3.5 2326=100, 2325/1.8=82...(18) HB3 SER 12 - HG3 GLU 18 far 0 55 0 - 8.1-10.3 HA LYS 42 - HG3 GLN 47 far 0 78 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 2355 from cnoeabs.peaks (2.58, 2.40, 35.63 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (1.83, 2.40, 35.63 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.4-2.9 3.0=100 HB ILE 17 - HG3 GLU 18 poor 16 53 40 78 3.2-4.1 34/531=40, 4069=30...(5) HD2 LYS 22 - HG3 GLU 18 far 0 57 0 - 6.9-10.8 HB3 MET 11 - HG3 GLN 47 far 0 98 0 - 7.6-9.2 HB3 MET 11 - HG3 GLU 18 far 0 56 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (2.55, 2.40, 35.63 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HG3 GLN 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (2.40, 2.40, 35.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG3 GLU 18 + HG3 GLU 18 OK 59 59 - 100 Peak 2359 from cnoeabs.peaks (6.91, 2.40, 35.63 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.3-3.7 3.4=100 HD22 ASN 54 - HG3 GLN 47 far 0 100 0 - 8.1-10.8 HE21 GLN 53 - HG3 GLN 47 far 0 71 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 2360 from cnoeabs.peaks (7.67, 2.40, 35.63 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.4-3.6 3.4=100 H VAL 48 - HG3 GLN 47 far 0 90 0 - 4.1-5.0 H LYS 39 - HG3 GLN 47 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (7.68, 3.63, 67.46 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + HA VAL 48 OK 100 100 100 100 2.8-2.8 3.0=100 HE22 GLN 47 - HA VAL 48 far 0 90 0 - 5.5-7.7 H LYS 39 - HA VAL 48 far 0 98 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 2362 from cnoeabs.peaks (3.63, 3.63, 67.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 48 + HA VAL 48 OK 100 100 - 100 Peak 2363 from cnoeabs.peaks (2.16, 3.63, 67.46 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 48 + HA VAL 48 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLN 53 - HA VAL 48 far 0 93 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (1.00, 3.63, 67.46 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + HA VAL 48 OK 100 100 100 100 2.3-2.4 3.2=100 QG2 VAL 16 - HA VAL 48 far 0 90 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (0.95, 3.63, 67.46 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 48 + HA VAL 48 OK 100 100 100 100 2.3-2.4 3.2=96, 2.1/2372=63...(12) QD1 LEU 37 - HA VAL 48 far 0 97 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (7.68, 2.16, 32.06 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + HB VAL 48 OK 100 100 100 100 2.5-2.7 712=100, 714/2.1=77...(9) H LYS 39 - HB VAL 48 far 0 98 0 - 6.8-7.4 HE22 GLN 47 - HB VAL 48 far 0 90 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (3.63, 2.16, 32.06 ppm; 3.54 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 48 + HB VAL 48 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 45 + HB VAL 48 OK 93 95 100 98 2.7-3.6 3773=80, 4512/2.1=51...(8) HA ALA 38 - HB VAL 48 far 0 90 0 - 4.4-5.0 HA LEU 19 - HB VAL 48 far 0 97 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 2368 from cnoeabs.peaks (2.16, 2.16, 32.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 48 + HB VAL 48 OK 100 100 - 100 Peak 2369 from cnoeabs.peaks (1.00, 2.16, 32.06 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + HB VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 16 - HB VAL 48 far 0 90 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2370 from cnoeabs.peaks (0.95, 2.16, 32.06 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 48 + HB VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 37 - HB VAL 48 far 0 97 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 2371 from cnoeabs.peaks (7.68, 1.00, 23.57 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 48 + QG1 VAL 48 OK 100 100 100 100 3.8-3.8 4.0=100 H LYS 39 - QG1 VAL 48 far 0 98 0 - 5.8-6.4 HE22 GLN 47 - QG1 VAL 48 far 0 90 0 - 6.9-8.4 HE22 GLN 47 - QG2 VAL 16 far 0 41 0 - 7.0-8.6 H VAL 48 - QG2 VAL 16 far 0 51 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 2372 from cnoeabs.peaks (3.63, 1.00, 23.57 ppm; 3.18 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 48 + QG1 VAL 48 OK 100 100 100 100 2.3-2.4 3.2=99, 2365/2.1=65...(12) HA ALA 38 - QG1 VAL 48 far 0 90 0 - 3.6-4.1 HA GLU 45 - QG1 VAL 48 far 0 95 0 - 4.1-4.8 HA LEU 19 - QG1 VAL 48 far 0 97 0 - 4.5-5.3 HA LEU 19 - QG2 VAL 16 far 0 46 0 - 6.7-7.3 HA VAL 48 - QG2 VAL 16 far 0 51 0 - 7.1-8.1 HA ALA 38 - QG2 VAL 16 far 0 41 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (2.16, 1.00, 23.57 ppm; 3.12 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 48 + QG1 VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 53 - QG1 VAL 48 far 0 93 0 - 7.0-9.1 HB2 GLU 20 - QG2 VAL 16 far 0 51 0 - 7.3-7.8 HB3 LYS 42 - QG1 VAL 48 far 0 97 0 - 9.3-10.0 HB3 LYS 42 - QG2 VAL 16 far 0 46 0 - 9.5-10.2 HB VAL 48 - QG2 VAL 16 far 0 51 0 - 9.5-10.5 HB2 GLU 20 - QG1 VAL 48 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2374 from cnoeabs.peaks (1.00, 1.00, 23.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + QG1 VAL 48 OK 100 100 - 100 QG2 VAL 16 + QG2 VAL 16 OK 41 41 - 100 Peak 2375 from cnoeabs.peaks (0.95, 1.00, 23.57 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 48 + QG1 VAL 48 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 37 - QG1 VAL 48 far 0 97 0 - 4.2-4.8 QG2 VAL 48 - QG2 VAL 16 far 0 51 0 - 6.8-7.9 QD1 LEU 37 - QG2 VAL 16 far 0 46 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (7.68, 0.95, 23.79 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + QG2 VAL 48 OK 100 100 100 100 2.0-2.2 714=100, 712/2.1=67...(10) H LYS 39 - QG2 VAL 48 far 0 98 0 - 4.6-4.7 HE22 GLN 47 - QG2 VAL 48 far 0 90 0 - 5.3-6.1 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (3.63, 0.95, 23.79 ppm; 2.87 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 48 + QG2 VAL 48 OK 98 100 100 98 2.3-2.4 2365=76, 2372/2.1=52...(12) HA ALA 38 + QG2 VAL 48 OK 88 90 100 97 2.0-2.3 2.1/4405=58, 4403=55...(15) HA GLU 45 - QG2 VAL 48 far 5 95 5 - 3.0-3.5 HA LEU 19 - QG2 VAL 48 far 0 97 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 2378 from cnoeabs.peaks (2.16, 0.95, 23.79 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 48 + QG2 VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 42 - QG2 VAL 48 far 0 97 0 - 7.1-7.7 HB2 GLN 53 - QG2 VAL 48 far 0 93 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 2379 from cnoeabs.peaks (1.00, 0.95, 23.79 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + QG2 VAL 48 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 16 - QG2 VAL 48 far 0 90 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (0.95, 0.95, 23.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 48 + QG2 VAL 48 OK 100 100 - 100 Peak 2381 from cnoeabs.peaks (8.54, 4.33, 59.98 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA LYS 49 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2382 from cnoeabs.peaks (4.33, 4.33, 59.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HA LYS 49 OK 100 100 - 100 Peak 2383 from cnoeabs.peaks (2.13, 4.33, 59.98 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HA LYS 49 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLN 53 - HA LYS 49 far 0 76 0 - 5.0-7.5 Violated in 0 structures by 0.00 A. Peak 2384 from cnoeabs.peaks (1.88, 4.33, 59.98 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 ARG 34 - HA LYS 49 far 0 78 0 - 5.7-6.8 HB2 GLU 33 - HA LYS 49 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 2385 from cnoeabs.peaks (1.57, 4.33, 59.98 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.8-3.5 3.9=74, 1.8/2386=63...(22) HG3 ARG 34 - HA LYS 49 far 0 92 0 - 4.4-5.8 HG LEU 37 - HA LYS 49 far 0 97 0 - 8.4-9.4 QB ALA 31 - HA LYS 49 far 0 95 0 - 9.0-10.4 HB3 LYS 27 - HA LYS 49 far 0 97 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (1.40, 4.33, 59.98 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.2-2.8 3.9=97, 1.8/2385=83...(21) HB2 LYS 27 - HA LYS 49 far 0 83 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (1.70, 4.33, 59.98 ppm; 4.65 A increased from 4.38 A): 2 out of 7 assignments used, quality = 0.97: HD3 LYS 49 + HA LYS 49 OK 90 100 90 100 3.8-4.9 3.0/2385=83, 3.0/2386=78...(22) * HD2 LYS 49 + HA LYS 49 OK 75 100 75 100 3.2-4.9 3.0/2385=83, 3.0/2386=78...(23) HG13 ILE 50 - HA LYS 49 far 0 97 0 - 5.1-7.0 HB3 LEU 37 - HA LYS 49 far 0 60 0 - 8.0-9.0 HB2 ARG 56 - HA LYS 49 far 0 87 0 - 8.7-10.7 HG2 LYS 22 - HA LYS 49 far 0 97 0 - 8.8-10.4 HG3 LYS 22 - HA LYS 49 far 0 71 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (1.70, 4.33, 59.98 ppm; 4.65 A increased from 4.38 A): 2 out of 6 assignments used, quality = 0.97: * HD3 LYS 49 + HA LYS 49 OK 90 100 90 100 3.8-4.9 3.0/2385=83, 3.0/2386=78...(22) HD2 LYS 49 + HA LYS 49 OK 75 100 75 100 3.2-4.9 3.0/2385=83, 3.0/2386=78...(23) HG13 ILE 50 - HA LYS 49 far 0 97 0 - 5.1-7.0 HB2 ARG 56 - HA LYS 49 far 0 85 0 - 8.7-10.7 HG2 LYS 22 - HA LYS 49 far 0 96 0 - 8.8-10.4 HG3 LYS 22 - HA LYS 49 far 0 73 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2391 from cnoeabs.peaks (8.54, 2.13, 33.10 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.4-2.9 717=100, 718/1.8=79...(13) Violated in 0 structures by 0.00 A. Peak 2392 from cnoeabs.peaks (4.33, 2.13, 33.10 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HB2 LYS 49 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASN 54 - HB2 LYS 49 far 0 65 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 2393 from cnoeabs.peaks (2.13, 2.13, 33.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 Peak 2394 from cnoeabs.peaks (1.88, 2.13, 33.10 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 34 - HB2 LYS 49 far 0 78 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (1.57, 2.13, 33.10 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 34 - HB2 LYS 49 far 0 92 0 - 5.8-6.9 QB ALA 31 - HB2 LYS 49 far 0 95 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (1.40, 2.13, 33.10 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.70, 2.13, 33.10 ppm; 3.64 A): 3 out of 4 assignments used, quality = 1.00: HD3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.6 3.7=98, 2444/1.8=37...(23) HG13 ILE 50 + HB2 LYS 49 OK 84 97 90 96 3.0-5.2 238/234=50, 2.1/4605=48...(9) * HD2 LYS 49 + HB2 LYS 49 OK 50 100 50 100 2.1-3.9 3.7=98, 2434/1.8=37...(22) HB3 LEU 37 - HB2 LYS 49 far 0 60 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (1.70, 2.13, 33.10 ppm; 3.64 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.6 3.7=98, 2444/1.8=37...(23) HG13 ILE 50 + HB2 LYS 49 OK 84 97 90 96 3.0-5.2 239/234=50, 2.1/4605=48...(9) HD2 LYS 49 + HB2 LYS 49 OK 50 100 50 100 2.1-3.9 3.7=98, 2434/1.8=37...(22) Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (2.98, 2.13, 33.10 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.0-4.5 4.8=100 HE3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.0-4.7 4.8=100 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (2.98, 2.13, 33.10 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.0-4.5 4.8=100 * HE3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.0-4.7 4.8=100 Violated in 0 structures by 0.00 A. Peak 2401 from cnoeabs.peaks (8.54, 1.88, 33.10 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-2.6 718=100, 717/1.8=76...(15) Violated in 0 structures by 0.00 A. Peak 2402 from cnoeabs.peaks (4.33, 1.88, 33.10 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 2403 from cnoeabs.peaks (2.13, 1.88, 33.10 ppm; 2.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 53 - HB3 LYS 49 far 0 76 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 2404 from cnoeabs.peaks (1.88, 1.88, 33.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 Peak 2405 from cnoeabs.peaks (1.57, 1.88, 33.10 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 34 - HB3 LYS 49 far 0 92 0 - 4.3-5.7 QB ALA 31 - HB3 LYS 49 far 0 95 0 - 8.2-9.4 HG LEU 37 - HB3 LYS 49 far 0 97 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (1.40, 1.88, 33.10 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (1.70, 1.88, 33.10 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.98: * HD2 LYS 49 + HB3 LYS 49 OK 85 100 85 100 2.7-4.2 3.7=93, 1.8/2444=36...(20) HD3 LYS 49 + HB3 LYS 49 OK 85 100 85 100 2.1-4.2 3.7=93, 1.8/2434=36...(21) HG13 ILE 50 - HB3 LYS 49 far 0 97 0 - 4.6-6.9 HB3 LEU 37 - HB3 LYS 49 far 0 60 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 2408 from cnoeabs.peaks (1.70, 1.88, 33.10 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.98: HD2 LYS 49 + HB3 LYS 49 OK 85 100 85 100 2.7-4.2 3.7=93, 1.8/2444=36...(20) * HD3 LYS 49 + HB3 LYS 49 OK 85 100 85 100 2.1-4.2 3.7=93, 1.8/2434=36...(21) HG13 ILE 50 - HB3 LYS 49 far 0 97 0 - 4.6-6.9 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (2.98, 1.88, 33.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-4.7 4.8=100 HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.8-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 2410 from cnoeabs.peaks (2.98, 1.88, 33.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-4.7 4.8=100 * HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.8-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 2411 from cnoeabs.peaks (8.54, 1.57, 24.91 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HG2 LYS 49 OK 100 100 100 100 4.4-4.6 4.9=100 Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (4.33, 1.57, 24.91 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.8-3.5 3.9=100 HA ASN 54 - HG2 LYS 49 far 0 65 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (2.13, 1.57, 24.91 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 53 - HG2 LYS 49 far 4 76 5 - 3.9-6.9 Violated in 0 structures by 0.00 A. Peak 2414 from cnoeabs.peaks (1.88, 1.57, 24.91 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 34 - HG2 LYS 49 far 0 78 0 - 6.7-9.4 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (1.57, 1.57, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 Peak 2416 from cnoeabs.peaks (1.40, 1.57, 24.91 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2417 from cnoeabs.peaks (1.70, 1.57, 24.91 ppm; 3.12 A increased from 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 50 - HG2 LYS 49 far 0 97 0 - 3.5-7.6 HB2 ARG 56 - HG2 LYS 49 far 0 87 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (1.70, 1.57, 24.91 ppm; 3.12 A increased from 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 50 - HG2 LYS 49 far 0 97 0 - 3.5-7.6 HB2 ARG 56 - HG2 LYS 49 far 0 85 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (2.98, 1.57, 24.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-4.2 3.6=100 * HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 2420 from cnoeabs.peaks (2.98, 1.57, 24.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-4.2 3.6=100 HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 2421 from cnoeabs.peaks (8.54, 1.40, 24.91 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HG3 LYS 49 OK 100 100 100 100 4.2-4.5 4.9=100 Violated in 0 structures by 0.00 A. Peak 2422 from cnoeabs.peaks (4.33, 1.40, 24.91 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-2.8 3.9=100 HA ASN 54 - HG3 LYS 49 far 0 65 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 2423 from cnoeabs.peaks (2.13, 1.40, 24.91 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLN 53 - HG3 LYS 49 far 0 76 0 - 4.4-7.1 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (1.88, 1.40, 24.91 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 34 - HG3 LYS 49 far 0 78 0 - 6.3-8.3 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (1.57, 1.40, 24.91 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 34 - HG3 LYS 49 far 0 92 0 - 5.6-7.6 QB ALA 31 - HG3 LYS 49 far 0 95 0 - 8.5-10.4 HB3 LYS 27 - HG3 LYS 49 far 0 97 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (1.40, 1.40, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 Peak 2427 from cnoeabs.peaks (1.70, 1.40, 24.91 ppm; 3.22 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 50 - HG3 LYS 49 far 0 97 0 - 4.2-7.4 HB2 ARG 56 - HG3 LYS 49 far 0 87 0 - 9.0-10.9 HB3 LEU 37 - HG3 LYS 49 far 0 60 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2428 from cnoeabs.peaks (1.70, 1.40, 24.91 ppm; 3.22 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 50 - HG3 LYS 49 far 0 97 0 - 4.2-7.4 HB2 ARG 56 - HG3 LYS 49 far 0 85 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2429 from cnoeabs.peaks (2.98, 1.40, 24.91 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.99: HE3 LYS 49 + HG3 LYS 49 OK 95 100 95 100 2.4-4.2 3.6=100 * HE2 LYS 49 + HG3 LYS 49 OK 70 100 70 100 2.5-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 2430 from cnoeabs.peaks (2.98, 1.40, 24.91 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.99: * HE3 LYS 49 + HG3 LYS 49 OK 95 100 95 100 2.4-4.2 3.6=100 HE2 LYS 49 + HG3 LYS 49 OK 70 100 70 100 2.5-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (4.33, 1.70, 29.39 ppm; 4.82 A increased from 4.54 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 49 + HD2 LYS 49 OK 100 100 100 100 3.2-4.9 2385/3.0=87, 2386/3.0=82...(23) HA LYS 49 + HD3 LYS 49 OK 95 100 95 100 3.8-4.9 2385/3.0=87, 2386/3.0=82...(22) HA LEU 41 - HD2 LYS 42 poor 15 35 80 53 2.5-6.3 3.6/677=52 HA LYS 49 - HG13 ILE 50 far 0 71 0 - 5.1-7.0 HA ASN 54 - HD2 LYS 49 far 0 65 0 - 7.9-12.4 HA ASN 54 - HD3 LYS 49 far 0 65 0 - 8.0-12.4 HA ASN 54 - HG13 ILE 50 far 0 39 0 - 8.4-9.0 HA HIS 36 - HD2 LYS 42 far 0 36 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 2433 from cnoeabs.peaks (2.13, 1.70, 29.39 ppm; 3.66 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.2-3.6 3.7=99, 1.8/2434=38...(23) HB2 LYS 49 + HG13 ILE 50 OK 62 71 90 97 3.0-5.2 234/238=51, 4605/2.1=48...(9) * HB2 LYS 49 + HD2 LYS 49 OK 50 100 50 100 2.1-3.9 3.7=99, 1.8/2434=38...(22) HB3 LYS 42 - HD2 LYS 42 poor 15 22 70 - 2.7-3.8 HB2 GLN 53 - HD2 LYS 49 far 4 76 5 - 3.7-8.8 HB2 GLN 53 - HD3 LYS 49 far 4 76 5 - 3.7-9.0 HB2 GLN 53 - HG13 ILE 50 far 0 46 0 - 5.0-7.0 Violated in 0 structures by 0.00 A. Peak 2434 from cnoeabs.peaks (1.88, 1.70, 29.39 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.98: * HB3 LYS 49 + HD2 LYS 49 OK 85 100 85 100 2.7-4.2 3.7=92, 2408/1.8=36...(20) HB3 LYS 49 + HD3 LYS 49 OK 85 100 85 100 2.1-4.2 3.7=92, 2407/1.8=36...(21) HB2 LYS 42 - HD2 LYS 42 poor 15 37 40 - 2.4-4.1 HB3 LYS 49 - HG13 ILE 50 far 0 71 0 - 4.6-6.9 HG LEU 41 - HD2 LYS 42 far 0 34 0 - 5.7-8.9 HB3 ARG 34 - HD3 LYS 49 far 0 78 0 - 6.4-9.6 HB3 ARG 34 - HD2 LYS 49 far 0 78 0 - 6.6-9.8 Violated in 0 structures by 0.00 A. Peak 2435 from cnoeabs.peaks (1.57, 1.70, 29.39 ppm; 3.06 A increased from 2.72 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 - HG13 ILE 50 far 0 71 0 - 3.5-7.6 HG3 LYS 39 - HD2 LYS 42 far 0 22 0 - 5.9-9.6 HG3 ARG 34 - HD3 LYS 49 far 0 92 0 - 6.0-8.6 HG3 ARG 34 - HD2 LYS 49 far 0 92 0 - 6.3-9.4 QB ALA 31 - HD3 LYS 49 far 0 94 0 - 7.5-11.7 QB ALA 31 - HD2 LYS 49 far 0 95 0 - 7.9-11.7 HG3 ARG 34 - HG13 ILE 50 far 0 60 0 - 8.6-10.8 HG LEU 37 - HD2 LYS 42 far 0 36 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (1.40, 1.70, 29.39 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 - HG13 ILE 50 far 0 71 0 - 4.2-7.4 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 65 65 - 100 HD2 LYS 42 + HD2 LYS 42 OK 31 31 - 100 Peak 2438 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 HD2 LYS 42 + HD2 LYS 42 OK 30 30 - 100 Reference assignment not found: HD3 LYS 49 - HD2 LYS 49 Peak 2439 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 8 assignments used, quality = 1.00: HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 11 71 15 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 4 71 5 - 3.1-6.2 HE3 LYS 39 - HD2 LYS 42 far 0 40 0 - 6.3-12.0 HE2 LYS 39 - HD2 LYS 42 far 0 40 0 - 6.8-11.3 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 11 71 15 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 4 71 5 - 3.1-6.2 HE3 LYS 39 - HD2 LYS 42 far 0 40 0 - 6.3-12.0 HE2 LYS 39 - HD2 LYS 42 far 0 40 0 - 6.8-11.3 Violated in 0 structures by 0.00 A. Peak 2442 from cnoeabs.peaks (4.33, 1.70, 29.39 ppm; 4.82 A increased from 4.54 A): 2 out of 8 assignments used, quality = 1.00: HA LYS 49 + HD2 LYS 49 OK 100 100 100 100 3.2-4.9 2385/3.0=87, 2386/3.0=82...(23) * HA LYS 49 + HD3 LYS 49 OK 95 100 95 100 3.8-4.9 2385/3.0=87, 2386/3.0=82...(22) HA LEU 41 - HD2 LYS 42 poor 14 33 80 51 2.5-6.3 3.6/677=51 HA LYS 49 - HG13 ILE 50 far 0 73 0 - 5.1-7.0 HA ASN 54 - HD2 LYS 49 far 0 65 0 - 7.9-12.4 HA ASN 54 - HD3 LYS 49 far 0 65 0 - 8.0-12.4 HA ASN 54 - HG13 ILE 50 far 0 41 0 - 8.4-9.0 HA HIS 36 - HD2 LYS 42 far 0 34 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 2443 from cnoeabs.peaks (2.13, 1.70, 29.39 ppm; 3.66 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.2-3.6 3.7=99, 1.8/2444=38...(23) HB2 LYS 49 + HG13 ILE 50 OK 64 73 90 97 3.0-5.2 234/239=51, 4605/2.1=48...(9) HB2 LYS 49 + HD2 LYS 49 OK 50 100 50 100 2.1-3.9 3.7=99, 1.8/2444=38...(22) HB3 LYS 42 - HD2 LYS 42 poor 14 20 70 - 2.7-3.8 HB2 GLN 53 - HD3 LYS 49 far 4 76 5 - 3.7-9.0 HB2 GLN 53 - HD2 LYS 49 far 4 76 5 - 3.7-8.8 HB2 GLN 53 - HG13 ILE 50 far 0 48 0 - 5.0-7.0 Violated in 0 structures by 0.00 A. Peak 2444 from cnoeabs.peaks (1.88, 1.70, 29.39 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.98: HB3 LYS 49 + HD2 LYS 49 OK 85 100 85 100 2.7-4.2 3.7=92, 2408/1.8=36...(20) * HB3 LYS 49 + HD3 LYS 49 OK 85 100 85 100 2.1-4.2 3.7=92, 2407/1.8=36...(21) HB2 LYS 42 - HD2 LYS 42 poor 14 35 40 - 2.4-4.1 HB3 LYS 49 - HG13 ILE 50 far 0 73 0 - 4.6-6.9 HG LEU 41 - HD2 LYS 42 far 0 32 0 - 5.7-8.9 HB3 ARG 34 - HD3 LYS 49 far 0 78 0 - 6.4-9.6 HB3 ARG 34 - HD2 LYS 49 far 0 78 0 - 6.6-9.8 Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (1.57, 1.70, 29.39 ppm; 3.06 A increased from 2.72 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 - HG13 ILE 50 far 0 73 0 - 3.5-7.6 HG3 LYS 39 - HD2 LYS 42 far 0 20 0 - 5.9-9.6 HG3 ARG 34 - HD3 LYS 49 far 0 92 0 - 6.0-8.6 HG3 ARG 34 - HD2 LYS 49 far 0 92 0 - 6.3-9.4 QB ALA 31 - HD3 LYS 49 far 0 95 0 - 7.5-11.7 QB ALA 31 - HD2 LYS 49 far 0 94 0 - 7.9-11.7 HG3 ARG 34 - HG13 ILE 50 far 0 62 0 - 8.6-10.8 HG LEU 37 - HD2 LYS 42 far 0 34 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 2446 from cnoeabs.peaks (1.40, 1.70, 29.39 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 - HG13 ILE 50 far 0 73 0 - 4.2-7.4 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 67 67 - 100 HD2 LYS 42 + HD2 LYS 42 OK 29 29 - 100 Reference assignment not found: HD2 LYS 49 - HD3 LYS 49 Peak 2448 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 68 68 - 100 HD2 LYS 42 + HD2 LYS 42 OK 28 28 - 100 Peak 2449 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 11 73 15 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 4 73 5 - 3.1-6.2 HE3 LYS 39 - HD2 LYS 42 far 0 37 0 - 6.3-12.0 HE2 LYS 39 - HD2 LYS 42 far 0 37 0 - 6.8-11.3 Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 far 11 73 15 - 2.5-7.4 HE3 LYS 49 - HG13 ILE 50 far 4 73 5 - 3.1-6.2 HE3 LYS 39 - HD2 LYS 42 far 0 37 0 - 6.3-12.0 HE2 LYS 39 - HD2 LYS 42 far 0 37 0 - 6.8-11.3 Violated in 0 structures by 0.00 A. Peak 2452 from cnoeabs.peaks (4.33, 2.98, 42.17 ppm; 4.61 A increased from 3.69 A): 2 out of 18 assignments used, quality = 0.71: HA HIS 36 + HE2 LYS 39 OK 47 53 90 99 2.1-4.8 4368/3.6=63, 4788/3.6=54...(12) HA HIS 36 + HE3 LYS 39 OK 45 53 85 99 2.0-4.8 4368/3.6=63, 4788/3.6=54...(12) ! HA LYS 49 - HE2 LYS 49 far 10 100 10 - 4.4-6.2 HA LYS 49 - HE3 LYS 49 far 5 100 5 - 4.6-6.2 HA GLU 67 - HE2 LYS 62 far 4 89 5 - 4.2-17.7 HA GLU 67 - HE3 LYS 62 far 0 85 0 - 4.8-17.5 HA GLN 63 - HE3 LYS 62 far 0 87 0 - 4.8-9.0 HA GLN 63 - HE2 LYS 62 far 0 91 0 - 5.5-8.8 HA GLU 67 - HE3 LYS 60 far 0 90 0 - 6.6-22.4 HA GLU 67 - HE2 LYS 60 far 0 91 0 - 7.0-23.0 HA ASN 54 - HE2 LYS 62 far 0 63 0 - 7.3-20.7 HA ASN 54 - HE3 LYS 62 far 0 59 0 - 7.5-20.9 HA GLN 63 - HE2 LYS 60 far 0 92 0 - 8.1-14.0 HA GLN 63 - HE3 LYS 60 far 0 92 0 - 8.4-13.9 HA LEU 41 - HE3 LYS 39 far 0 52 0 - 8.7-11.1 HA LEU 41 - HE2 LYS 39 far 0 52 0 - 8.8-11.1 HA ASN 54 - HE3 LYS 49 far 0 65 0 - 9.3-12.9 HA ASN 54 - HE2 LYS 49 far 0 65 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2454 from cnoeabs.peaks (1.88, 2.98, 42.17 ppm; 4.41 A increased from 3.92 A): 2 out of 12 assignments used, quality = 0.98: * HB3 LYS 49 + HE2 LYS 49 OK 85 100 85 100 2.4-4.7 4.8=78, 2434/3.0=39...(17) HB3 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.8-4.8 4.8=78, 3.0/2455=43...(17) HB3 ARG 34 - HE2 LYS 49 far 0 78 0 - 6.8-10.1 HG LEU 41 - HE3 LYS 39 far 0 50 0 - 8.0-10.2 HG LEU 41 - HE2 LYS 39 far 0 50 0 - 8.3-10.4 HB3 ARG 34 - HE3 LYS 49 far 0 78 0 - 8.4-10.7 HB2 GLU 33 - HE3 LYS 39 far 0 58 0 - 9.0-12.6 HB3 ARG 34 - HE3 LYS 39 far 0 39 0 - 9.1-13.0 HB2 LYS 42 - HE3 LYS 39 far 0 55 0 - 9.1-12.0 HB2 LYS 42 - HE2 LYS 39 far 0 55 0 - 9.1-11.8 HB3 ARG 34 - HE2 LYS 39 far 0 39 0 - 9.2-13.1 HB2 GLU 33 - HE2 LYS 39 far 0 58 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 2455 from cnoeabs.peaks (1.57, 2.98, 42.17 ppm; 3.31 A): 3 out of 24 assignments used, quality = 0.91: HG2 LYS 49 + HE3 LYS 49 OK 77 100 80 97 2.2-4.2 3.6=77, 3.0/2454=17...(21) * HG2 LYS 49 + HE2 LYS 49 OK 48 100 50 96 2.3-3.7 3.6=77, 3.0/2454=17...(21) HG3 LYS 39 + HE2 LYS 39 OK 20 33 65 95 2.3-4.1 3.6=76, 2032/3.0=21...(42) HG3 LYS 39 - HE3 LYS 39 poor 18 33 55 - 2.3-4.2 HG3 ARG 61 - HE2 LYS 62 far 4 71 5 - 2.7-11.0 HG2 ARG 61 - HE2 LYS 62 far 3 68 5 - 2.6-10.9 HG2 ARG 61 - HE3 LYS 62 far 0 64 0 - 4.3-11.2 HG3 ARG 61 - HE3 LYS 62 far 0 67 0 - 4.4-11.1 HG2 ARG 61 - HE3 LYS 60 far 0 69 0 - 4.4-10.7 HG2 ARG 61 - HE2 LYS 60 far 0 70 0 - 5.4-10.8 HG3 ARG 61 - HE3 LYS 60 far 0 71 0 - 6.0-10.3 HG3 ARG 34 - HE2 LYS 49 far 0 92 0 - 6.2-9.4 HG3 ARG 61 - HE2 LYS 60 far 0 72 0 - 7.0-10.2 HG3 ARG 34 - HE3 LYS 49 far 0 92 0 - 7.6-10.0 QB ALA 31 - HE2 LYS 49 far 0 95 0 - 7.9-11.3 HB3 LYS 27 - HE3 LYS 62 far 0 91 0 - 8.0-20.5 HG LEU 37 - HE3 LYS 39 far 0 53 0 - 8.1-10.8 HB3 LYS 27 - HE2 LYS 62 far 0 94 0 - 8.2-20.6 HG LEU 37 - HE2 LYS 39 far 0 53 0 - 8.2-10.7 HG3 ARG 34 - HE3 LYS 39 far 0 49 0 - 8.3-12.2 HG3 ARG 34 - HE2 LYS 39 far 0 49 0 - 8.5-12.2 QB ALA 31 - HE3 LYS 49 far 0 95 0 - 8.6-11.9 QB ALA 31 - HE3 LYS 39 far 0 51 0 - 8.7-12.3 QB ALA 31 - HE2 LYS 39 far 0 51 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 2456 from cnoeabs.peaks (1.40, 2.98, 42.17 ppm; 3.84 A increased from 3.61 A): 6 out of 13 assignments used, quality = 1.00: HG3 LYS 49 + HE3 LYS 49 OK 95 100 95 100 2.4-4.2 3.6=100 * HG3 LYS 49 + HE2 LYS 49 OK 70 100 70 100 2.5-4.2 3.6=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-3.8 3.9=93, ~2978=12...(54) HG3 LYS 60 + HE2 LYS 60 OK 56 59 95 100 2.4-4.2 3.9=93, ~2978=12...(54) HG2 LYS 60 + HE2 LYS 60 OK 52 62 85 100 2.5-4.1 3.9=93, ~2978=12...(54) HG2 LYS 60 + HE3 LYS 60 OK 52 61 85 100 2.3-4.2 3.9=93, ~2978=12...(54) HG3 LYS 60 - HE3 LYS 62 far 0 54 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 60 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 57 0 - 4.6-13.7 HG3 LYS 60 - HE2 LYS 62 far 0 57 0 - 5.1-13.1 HB2 LYS 27 - HE2 LYS 62 far 0 80 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 76 0 - 7.8-19.8 HB2 LYS 27 - HE2 LYS 60 far 0 82 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 6 out of 26 assignments used, quality = 0.98: HD3 LYS 49 + HE2 LYS 49 OK 66 100 80 82 2.3-3.0 3.0=71, 3.0/2455=11...(7) HD3 LYS 49 + HE3 LYS 49 OK 50 100 60 83 2.4-3.0 3.0=71, 3.0/2455=17...(7) * HD2 LYS 49 + HE2 LYS 49 OK 49 100 60 82 2.5-3.0 3.0=71, 3.0/2455=11...(7) HD2 LYS 49 + HE3 LYS 49 OK 45 100 55 82 2.3-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 39 + HE3 LYS 39 OK 37 55 80 83 2.3-3.0 3.0=70, 2050/3.6=19...(10) HD3 LYS 39 + HE2 LYS 39 OK 36 55 80 82 2.3-3.0 3.0=70, 2050/3.6=11...(9) HD2 LYS 39 - HE2 LYS 39 poor 18 55 40 83 2.4-3.0 3.0=70, 2040/3.6=19...(9) HD3 LYS 39 - HE3 LYS 39 poor 18 55 40 82 2.4-3.0 3.0=70, 2050/3.6=11...(10) HG13 ILE 50 - HE2 LYS 49 far 5 97 5 - 2.5-7.4 HB3 ARG 61 - HE2 LYS 62 far 0 71 0 - 2.9-10.3 HG13 ILE 50 - HE3 LYS 49 far 0 97 0 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 84 0 - 3.9-17.9 HB3 ARG 61 - HE3 LYS 62 far 0 67 0 - 4.3-10.2 HB2 ARG 56 - HE3 LYS 62 far 0 80 0 - 4.6-16.8 HB3 ARG 61 - HE2 LYS 60 far 0 72 0 - 5.3-10.4 HB3 LYS 58 - HE3 LYS 62 far 0 57 0 - 5.6-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 71 0 - 6.1-10.5 HB3 LYS 58 - HE2 LYS 62 far 0 60 0 - 6.2-17.6 HD2 LYS 42 - HE3 LYS 39 far 0 46 0 - 6.3-12.0 HB3 LYS 58 - HE3 LYS 60 far 0 61 0 - 6.4-13.2 HB3 LEU 37 - HE3 LYS 39 far 0 28 0 - 6.7-9.8 HD2 LYS 42 - HE2 LYS 39 far 0 46 0 - 6.8-11.3 HB3 LEU 37 - HE2 LYS 39 far 0 28 0 - 6.8-9.9 HB3 LYS 58 - HE2 LYS 60 far 0 62 0 - 7.0-13.9 HB2 ARG 56 - HE3 LYS 60 far 0 85 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 86 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 6 out of 24 assignments used, quality = 0.98: * HD3 LYS 49 + HE2 LYS 49 OK 66 100 80 82 2.3-3.0 3.0=71, 3.0/2455=11...(7) HD3 LYS 49 + HE3 LYS 49 OK 50 100 60 83 2.4-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 49 + HE2 LYS 49 OK 49 100 60 82 2.5-3.0 3.0=71, 3.0/2455=11...(7) HD2 LYS 49 + HE3 LYS 49 OK 45 100 55 82 2.3-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 39 + HE3 LYS 39 OK 37 56 80 84 2.3-3.0 3.0=70, 2050/3.6=20...(10) HD3 LYS 39 + HE2 LYS 39 OK 36 56 80 82 2.3-3.0 3.0=70, 2050/3.6=11...(9) HD2 LYS 39 - HE2 LYS 39 poor 19 56 40 83 2.4-3.0 3.0=70, 2050/3.6=20...(9) HD3 LYS 39 - HE3 LYS 39 poor 18 56 40 82 2.4-3.0 3.0=70, 2050/3.6=11...(10) HG13 ILE 50 - HE2 LYS 49 far 5 97 5 - 2.5-7.4 HB3 ARG 61 - HE2 LYS 62 far 0 68 0 - 2.9-10.3 HG13 ILE 50 - HE3 LYS 49 far 0 97 0 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 82 0 - 3.9-17.9 HB3 ARG 61 - HE3 LYS 62 far 0 64 0 - 4.3-10.2 HB2 ARG 56 - HE3 LYS 62 far 0 78 0 - 4.6-16.8 HB3 ARG 61 - HE2 LYS 60 far 0 70 0 - 5.3-10.4 HB3 LYS 58 - HE3 LYS 62 far 0 54 0 - 5.6-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 69 0 - 6.1-10.5 HB3 LYS 58 - HE2 LYS 62 far 0 57 0 - 6.2-17.6 HD2 LYS 42 - HE3 LYS 39 far 0 45 0 - 6.3-12.0 HB3 LYS 58 - HE3 LYS 60 far 0 58 0 - 6.4-13.2 HD2 LYS 42 - HE2 LYS 39 far 0 45 0 - 6.8-11.3 HB3 LYS 58 - HE2 LYS 60 far 0 59 0 - 7.0-13.9 HB2 ARG 56 - HE3 LYS 60 far 0 83 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 84 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Peak 2460 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Reference assignment not found: HE3 LYS 49 - HE2 LYS 49 Peak 2462 from cnoeabs.peaks (4.33, 2.98, 42.17 ppm; 4.61 A increased from 3.69 A): 2 out of 18 assignments used, quality = 0.71: HA HIS 36 + HE2 LYS 39 OK 47 53 90 99 2.1-4.8 4368/3.6=63, 4788/3.6=54...(12) HA HIS 36 + HE3 LYS 39 OK 45 53 85 99 2.0-4.8 4368/3.6=63, 4788/3.6=54...(12) HA LYS 49 - HE2 LYS 49 far 10 100 10 - 4.4-6.2 ! HA LYS 49 - HE3 LYS 49 far 5 100 5 - 4.6-6.2 HA GLU 67 - HE2 LYS 62 far 4 89 5 - 4.2-17.7 HA GLU 67 - HE3 LYS 62 far 0 85 0 - 4.8-17.5 HA GLN 63 - HE3 LYS 62 far 0 87 0 - 4.8-9.0 HA GLN 63 - HE2 LYS 62 far 0 91 0 - 5.5-8.8 HA GLU 67 - HE3 LYS 60 far 0 90 0 - 6.6-22.4 HA GLU 67 - HE2 LYS 60 far 0 91 0 - 7.0-23.0 HA ASN 54 - HE2 LYS 62 far 0 63 0 - 7.3-20.7 HA ASN 54 - HE3 LYS 62 far 0 59 0 - 7.5-20.9 HA GLN 63 - HE2 LYS 60 far 0 92 0 - 8.1-14.0 HA GLN 63 - HE3 LYS 60 far 0 92 0 - 8.4-13.9 HA LEU 41 - HE3 LYS 39 far 0 52 0 - 8.7-11.1 HA LEU 41 - HE2 LYS 39 far 0 52 0 - 8.8-11.1 HA ASN 54 - HE3 LYS 49 far 0 65 0 - 9.3-12.9 HA ASN 54 - HE2 LYS 49 far 0 65 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (1.88, 2.98, 42.17 ppm; 4.41 A increased from 3.92 A): 2 out of 12 assignments used, quality = 0.98: HB3 LYS 49 + HE2 LYS 49 OK 85 100 85 100 2.4-4.7 4.8=78, 2434/3.0=39...(17) * HB3 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.8-4.8 4.8=78, 3.0/2455=43...(17) HB3 ARG 34 - HE2 LYS 49 far 0 78 0 - 6.8-10.1 HG LEU 41 - HE3 LYS 39 far 0 50 0 - 8.0-10.2 HG LEU 41 - HE2 LYS 39 far 0 50 0 - 8.3-10.4 HB3 ARG 34 - HE3 LYS 49 far 0 78 0 - 8.4-10.7 HB2 GLU 33 - HE3 LYS 39 far 0 58 0 - 9.0-12.6 HB3 ARG 34 - HE3 LYS 39 far 0 39 0 - 9.1-13.0 HB2 LYS 42 - HE3 LYS 39 far 0 55 0 - 9.1-12.0 HB2 LYS 42 - HE2 LYS 39 far 0 55 0 - 9.1-11.8 HB3 ARG 34 - HE2 LYS 39 far 0 39 0 - 9.2-13.1 HB2 GLU 33 - HE2 LYS 39 far 0 58 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (1.57, 2.98, 42.17 ppm; 3.31 A): 3 out of 24 assignments used, quality = 0.91: * HG2 LYS 49 + HE3 LYS 49 OK 77 100 80 97 2.2-4.2 3.6=77, 3.0/2454=17...(21) HG2 LYS 49 + HE2 LYS 49 OK 48 100 50 96 2.3-3.7 3.6=77, 3.0/2454=17...(21) HG3 LYS 39 + HE2 LYS 39 OK 20 33 65 95 2.3-4.1 3.6=76, 2032/3.0=21...(42) HG3 LYS 39 - HE3 LYS 39 poor 18 33 55 - 2.3-4.2 HG3 ARG 61 - HE2 LYS 62 far 4 71 5 - 2.7-11.0 HG2 ARG 61 - HE2 LYS 62 far 3 68 5 - 2.6-10.9 HG2 ARG 61 - HE3 LYS 62 far 0 64 0 - 4.3-11.2 HG3 ARG 61 - HE3 LYS 62 far 0 67 0 - 4.4-11.1 HG2 ARG 61 - HE3 LYS 60 far 0 69 0 - 4.4-10.7 HG2 ARG 61 - HE2 LYS 60 far 0 70 0 - 5.4-10.8 HG3 ARG 61 - HE3 LYS 60 far 0 71 0 - 6.0-10.3 HG3 ARG 34 - HE2 LYS 49 far 0 92 0 - 6.2-9.4 HG3 ARG 61 - HE2 LYS 60 far 0 72 0 - 7.0-10.2 HG3 ARG 34 - HE3 LYS 49 far 0 92 0 - 7.6-10.0 QB ALA 31 - HE2 LYS 49 far 0 95 0 - 7.9-11.3 HB3 LYS 27 - HE3 LYS 62 far 0 91 0 - 8.0-20.5 HG LEU 37 - HE3 LYS 39 far 0 53 0 - 8.1-10.8 HB3 LYS 27 - HE2 LYS 62 far 0 94 0 - 8.2-20.6 HG LEU 37 - HE2 LYS 39 far 0 53 0 - 8.2-10.7 HG3 ARG 34 - HE3 LYS 39 far 0 49 0 - 8.3-12.2 HG3 ARG 34 - HE2 LYS 39 far 0 49 0 - 8.5-12.2 QB ALA 31 - HE3 LYS 49 far 0 95 0 - 8.6-11.9 QB ALA 31 - HE3 LYS 39 far 0 51 0 - 8.7-12.3 QB ALA 31 - HE2 LYS 39 far 0 51 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.40, 2.98, 42.17 ppm; 3.84 A increased from 3.61 A): 6 out of 13 assignments used, quality = 1.00: * HG3 LYS 49 + HE3 LYS 49 OK 95 100 95 100 2.4-4.2 3.6=100 HG3 LYS 49 + HE2 LYS 49 OK 70 100 70 100 2.5-4.2 3.6=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-3.8 3.9=93, ~2978=12...(54) HG3 LYS 60 + HE2 LYS 60 OK 56 59 95 100 2.4-4.2 3.9=93, ~2978=12...(54) HG2 LYS 60 + HE2 LYS 60 OK 52 62 85 100 2.5-4.1 3.9=93, ~2978=12...(54) HG2 LYS 60 + HE3 LYS 60 OK 52 61 85 100 2.3-4.2 3.9=93, ~2978=12...(54) HG3 LYS 60 - HE3 LYS 62 far 0 54 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 60 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 57 0 - 4.6-13.7 HG3 LYS 60 - HE2 LYS 62 far 0 57 0 - 5.1-13.1 HB2 LYS 27 - HE2 LYS 62 far 0 80 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 76 0 - 7.8-19.8 HB2 LYS 27 - HE2 LYS 60 far 0 82 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 2467 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 6 out of 26 assignments used, quality = 0.98: HD3 LYS 49 + HE2 LYS 49 OK 66 100 80 82 2.3-3.0 3.0=71, 3.0/2455=11...(7) HD3 LYS 49 + HE3 LYS 49 OK 50 100 60 83 2.4-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 49 + HE2 LYS 49 OK 49 100 60 82 2.5-3.0 3.0=71, 3.0/2455=11...(7) * HD2 LYS 49 + HE3 LYS 49 OK 45 100 55 82 2.3-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 39 + HE3 LYS 39 OK 37 55 80 83 2.3-3.0 3.0=70, 2050/3.6=19...(10) HD3 LYS 39 + HE2 LYS 39 OK 36 55 80 82 2.3-3.0 3.0=70, 2050/3.6=11...(9) HD2 LYS 39 - HE2 LYS 39 poor 18 55 40 83 2.4-3.0 3.0=70, 2040/3.6=19...(9) HD3 LYS 39 - HE3 LYS 39 poor 18 55 40 82 2.4-3.0 3.0=70, 2050/3.6=11...(10) HG13 ILE 50 - HE2 LYS 49 far 5 97 5 - 2.5-7.4 HB3 ARG 61 - HE2 LYS 62 far 0 71 0 - 2.9-10.3 HG13 ILE 50 - HE3 LYS 49 far 0 97 0 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 84 0 - 3.9-17.9 HB3 ARG 61 - HE3 LYS 62 far 0 67 0 - 4.3-10.2 HB2 ARG 56 - HE3 LYS 62 far 0 80 0 - 4.6-16.8 HB3 ARG 61 - HE2 LYS 60 far 0 72 0 - 5.3-10.4 HB3 LYS 58 - HE3 LYS 62 far 0 57 0 - 5.6-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 71 0 - 6.1-10.5 HB3 LYS 58 - HE2 LYS 62 far 0 60 0 - 6.2-17.6 HD2 LYS 42 - HE3 LYS 39 far 0 46 0 - 6.3-12.0 HB3 LYS 58 - HE3 LYS 60 far 0 61 0 - 6.4-13.2 HB3 LEU 37 - HE3 LYS 39 far 0 28 0 - 6.7-9.8 HD2 LYS 42 - HE2 LYS 39 far 0 46 0 - 6.8-11.3 HB3 LEU 37 - HE2 LYS 39 far 0 28 0 - 6.8-9.9 HB3 LYS 58 - HE2 LYS 60 far 0 62 0 - 7.0-13.9 HB2 ARG 56 - HE3 LYS 60 far 0 85 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 86 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2468 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 6 out of 24 assignments used, quality = 0.98: HD3 LYS 49 + HE2 LYS 49 OK 66 100 80 82 2.3-3.0 3.0=71, 3.0/2455=11...(7) * HD3 LYS 49 + HE3 LYS 49 OK 50 100 60 83 2.4-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 49 + HE2 LYS 49 OK 49 100 60 82 2.5-3.0 3.0=71, 3.0/2455=11...(7) HD2 LYS 49 + HE3 LYS 49 OK 45 100 55 82 2.3-3.0 3.0=71, 3.0/2455=17...(7) HD2 LYS 39 + HE3 LYS 39 OK 37 56 80 84 2.3-3.0 3.0=70, 2050/3.6=20...(10) HD3 LYS 39 + HE2 LYS 39 OK 36 56 80 82 2.3-3.0 3.0=70, 2050/3.6=11...(9) HD2 LYS 39 - HE2 LYS 39 poor 19 56 40 83 2.4-3.0 3.0=70, 2050/3.6=20...(9) HD3 LYS 39 - HE3 LYS 39 poor 18 56 40 82 2.4-3.0 3.0=70, 2050/3.6=11...(10) HG13 ILE 50 - HE2 LYS 49 far 5 97 5 - 2.5-7.4 HB3 ARG 61 - HE2 LYS 62 far 0 68 0 - 2.9-10.3 HG13 ILE 50 - HE3 LYS 49 far 0 97 0 - 3.1-6.2 HB2 ARG 56 - HE2 LYS 62 far 0 82 0 - 3.9-17.9 HB3 ARG 61 - HE3 LYS 62 far 0 64 0 - 4.3-10.2 HB2 ARG 56 - HE3 LYS 62 far 0 78 0 - 4.6-16.8 HB3 ARG 61 - HE2 LYS 60 far 0 70 0 - 5.3-10.4 HB3 LYS 58 - HE3 LYS 62 far 0 54 0 - 5.6-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 69 0 - 6.1-10.5 HB3 LYS 58 - HE2 LYS 62 far 0 57 0 - 6.2-17.6 HD2 LYS 42 - HE3 LYS 39 far 0 45 0 - 6.3-12.0 HB3 LYS 58 - HE3 LYS 60 far 0 58 0 - 6.4-13.2 HD2 LYS 42 - HE2 LYS 39 far 0 45 0 - 6.8-11.3 HB3 LYS 58 - HE2 LYS 60 far 0 59 0 - 7.0-13.9 HB2 ARG 56 - HE3 LYS 60 far 0 83 0 - 9.4-15.0 HB2 ARG 56 - HE2 LYS 60 far 0 84 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2469 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Reference assignment not found: HE2 LYS 49 - HE3 LYS 49 Peak 2470 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 * HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Peak 2471 from cnoeabs.peaks (8.69, 3.77, 64.05 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA ILE 50 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2472 from cnoeabs.peaks (3.77, 3.77, 64.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 50 + HA ILE 50 OK 100 100 - 100 Peak 2473 from cnoeabs.peaks (1.94, 3.77, 64.05 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HA ILE 50 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (0.91, 3.77, 64.05 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + HA ILE 50 OK 100 100 100 100 2.3-2.4 3.2=95, 3.2/2475=42...(22) QD2 LEU 37 - HA ILE 50 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.29, 3.77, 64.05 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + HA ILE 50 OK 100 100 100 100 2.6-3.3 2493=87, 1.8/2476=67...(20) QG2 THR 44 - HA ILE 50 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (1.69, 3.77, 64.05 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.95: * HG13 ILE 50 + HA ILE 50 OK 95 100 95 100 2.7-3.7 2500=94, 1.8/2475=78...(15) HD3 LYS 49 - HA ILE 50 far 5 97 5 - 2.8-6.7 HD2 LYS 49 - HA ILE 50 far 5 97 5 - 3.3-6.6 HB2 ARG 56 - HA ILE 50 far 0 60 0 - 8.3-9.7 Violated in 2 structures by 0.01 A. Peak 2477 from cnoeabs.peaks (0.80, 3.77, 64.05 ppm; 4.09 A increased from 3.63 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HA ILE 50 OK 100 100 100 100 2.0-3.9 2507=100, 2.1/2475=85...(17) Violated in 0 structures by 0.00 A. Peak 2478 from cnoeabs.peaks (8.69, 1.94, 37.64 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HB ILE 50 OK 100 100 100 100 2.5-2.7 727=100, 728/2.1=51...(15) Violated in 0 structures by 0.00 A. Peak 2479 from cnoeabs.peaks (3.77, 1.94, 37.64 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 50 + HB ILE 50 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 52 - HB ILE 50 far 0 89 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 2480 from cnoeabs.peaks (1.94, 1.94, 37.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HB ILE 50 OK 100 100 - 100 Peak 2481 from cnoeabs.peaks (0.91, 1.94, 37.64 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + HB ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 37 - HB ILE 50 far 0 100 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (1.29, 1.94, 37.64 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + HB ILE 50 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 44 - HB ILE 50 far 0 99 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (1.69, 1.94, 37.64 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 50 + HB ILE 50 OK 100 100 100 100 2.5-2.7 3.0=100 HD3 LYS 49 - HB ILE 50 far 0 97 0 - 5.1-8.1 HD2 LYS 49 - HB ILE 50 far 0 97 0 - 5.7-8.4 Violated in 0 structures by 0.00 A. Peak 2484 from cnoeabs.peaks (0.80, 1.94, 37.64 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HB ILE 50 OK 100 100 100 100 2.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2485 from cnoeabs.peaks (8.69, 0.91, 17.21 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + QG2 ILE 50 OK 100 100 100 100 3.8-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2486 from cnoeabs.peaks (3.77, 0.91, 17.21 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.3-2.4 3.2=100 HA PHE 52 - QG2 ILE 50 far 0 89 0 - 6.7-6.9 HA2 GLY 69 - QG2 ILE 50 far 0 63 0 - 8.0-28.0 HA3 GLY 69 - QG2 ILE 50 far 0 65 0 - 8.2-26.7 Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (1.94, 0.91, 17.21 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 67 - QG2 ILE 50 far 0 76 0 - 8.7-29.6 Violated in 0 structures by 0.00 A. Peak 2488 from cnoeabs.peaks (0.91, 0.91, 17.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 50 + QG2 ILE 50 OK 100 100 - 100 Peak 2489 from cnoeabs.peaks (1.29, 0.91, 17.21 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.1-3.2 3.2=100 QG2 THR 44 - QG2 ILE 50 far 0 99 0 - 8.0-8.9 QG2 THR 59 - QG2 ILE 50 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 2490 from cnoeabs.peaks (1.69, 0.91, 17.21 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.2-3.2 3.2=100 HD3 LYS 49 - QG2 ILE 50 far 0 97 0 - 4.5-7.8 HD2 LYS 49 - QG2 ILE 50 far 0 97 0 - 5.2-7.8 HB2 ARG 56 - QG2 ILE 50 far 0 60 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 2491 from cnoeabs.peaks (0.80, 0.91, 17.21 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.99: * QD1 ILE 50 + QG2 ILE 50 OK 99 100 100 99 1.9-2.4 2509=91, 2507/2474=30...(12) Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (8.69, 1.29, 29.13 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HG12 ILE 50 OK 100 100 100 100 1.9-3.7 729=100, 730/1.8=83...(13) Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (3.77, 1.29, 29.13 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.6-3.3 2475=100, 2476/1.8=72...(20) HA PHE 52 - HG12 ILE 50 far 0 89 0 - 8.9-9.5 HA3 GLY 69 - HG12 ILE 50 far 0 65 0 - 9.7-32.5 HA2 GLY 69 - HG12 ILE 50 far 0 63 0 - 9.9-33.9 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (1.94, 1.29, 29.13 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2495 from cnoeabs.peaks (0.91, 1.29, 29.13 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 37 - HG12 ILE 50 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2496 from cnoeabs.peaks (1.29, 1.29, 29.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 50 + HG12 ILE 50 OK 100 100 - 100 Peak 2497 from cnoeabs.peaks (1.69, 1.29, 29.13 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 50 + HG12 ILE 50 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 49 - HG12 ILE 50 far 0 97 0 - 3.8-7.6 HD2 LYS 49 - HG12 ILE 50 far 0 97 0 - 4.9-7.6 Violated in 0 structures by 0.00 A. Peak 2498 from cnoeabs.peaks (0.80, 1.29, 29.13 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2499 from cnoeabs.peaks (8.69, 1.69, 29.13 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.0-3.5 730=100, 729/1.8=70...(15) H ILE 50 - HD3 LYS 49 far 4 73 5 - 3.1-5.7 H ILE 50 - HD2 LYS 49 far 0 71 0 - 3.8-6.3 Violated in 0 structures by 0.00 A. Peak 2500 from cnoeabs.peaks (3.77, 1.69, 29.13 ppm; 3.70 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.7-3.7 2476=100, 2475/1.8=80...(15) HA ILE 50 - HD3 LYS 49 far 4 73 5 - 2.8-6.7 HA ILE 50 - HD2 LYS 49 far 4 71 5 - 3.3-6.6 HA PHE 52 - HD2 LYS 49 far 0 57 0 - 7.2-10.2 HA PHE 52 - HD3 LYS 49 far 0 59 0 - 7.9-10.4 HA ARG 34 - HD3 LYS 49 far 0 60 0 - 8.2-10.9 HA ARG 34 - HD3 LYS 39 far 0 54 0 - 8.5-10.5 HA ARG 34 - HD2 LYS 49 far 0 58 0 - 8.5-11.3 HA ARG 34 - HD2 LYS 39 far 0 54 0 - 8.7-10.2 HA PHE 52 - HG13 ILE 50 far 0 89 0 - 8.8-9.8 Violated in 2 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (1.94, 1.69, 29.13 ppm; 3.06 A): 5 out of 11 assignments used, quality = 1.00: * HB ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LYS 39 + HD3 LYS 39 OK 37 59 65 96 2.7-3.7 3.9=50, 2.9/2031=19...(27) HB2 LYS 39 + HD3 LYS 39 OK 30 57 55 95 2.5-3.8 3.9=50, 2.9/2031=19...(26) HB3 LYS 39 + HD2 LYS 39 OK 25 59 45 95 2.4-3.8 3.9=50, 2.9/2032=34...(27) HB2 LYS 39 + HD2 LYS 39 OK 24 57 45 94 2.3-3.7 3.9=50, 2.9/2031=34...(26) HB ILE 50 - HD3 LYS 49 far 0 73 0 - 5.1-8.1 HB ILE 50 - HD2 LYS 49 far 0 71 0 - 5.7-8.4 HB2 ARG 34 - HD3 LYS 49 far 0 73 0 - 6.3-10.2 HB2 ARG 34 - HD2 LYS 49 far 0 71 0 - 6.8-10.5 HB2 ARG 34 - HD3 LYS 39 far 0 66 0 - 9.2-11.6 HB2 ARG 34 - HD2 LYS 39 far 0 66 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (0.91, 1.69, 29.13 ppm; 3.46 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 ILE 50 - HD3 LYS 49 far 0 73 0 - 4.5-7.8 QG2 ILE 50 - HD2 LYS 49 far 0 71 0 - 5.2-7.8 QD2 LEU 37 - HD3 LYS 39 far 0 65 0 - 8.4-9.6 QD2 LEU 37 - HD2 LYS 39 far 0 65 0 - 8.5-9.5 QD2 LEU 37 - HD3 LYS 49 far 0 72 0 - 8.8-10.6 QD2 LEU 37 - HD2 LYS 49 far 0 70 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 2503 from cnoeabs.peaks (1.29, 1.69, 29.13 ppm; 2.55 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 50 + HG13 ILE 50 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 50 - HD3 LYS 49 far 0 73 0 - 3.8-7.6 HG12 ILE 50 - HD2 LYS 49 far 0 71 0 - 4.9-7.6 QG2 THR 44 - HG13 ILE 50 far 0 99 0 - 7.4-8.8 QG2 THR 44 - HD2 LYS 39 far 0 64 0 - 8.8-10.5 QG2 THR 44 - HD2 LYS 49 far 0 69 0 - 8.9-11.0 QG2 THR 44 - HD3 LYS 49 far 0 71 0 - 9.0-11.4 QG2 THR 44 - HD3 LYS 39 far 0 64 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2504 from cnoeabs.peaks (1.69, 1.69, 29.13 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG13 ILE 50 + HG13 ILE 50 OK 100 100 - 100 HD3 LYS 49 + HD3 LYS 49 OK 68 68 - 100 HD2 LYS 39 + HD2 LYS 39 OK 66 66 - 100 HD3 LYS 39 + HD3 LYS 39 OK 66 66 - 100 HD2 LYS 49 + HD2 LYS 49 OK 65 65 - 100 Peak 2505 from cnoeabs.peaks (0.80, 1.69, 29.13 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 50 - HD3 LYS 49 far 4 73 5 - 2.3-6.9 QD1 ILE 50 - HD2 LYS 49 far 0 71 0 - 3.6-7.2 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (8.69, 0.80, 12.55 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.6-3.5 731=98, 730/2.1=88...(14) Violated in 0 structures by 0.00 A. Peak 2507 from cnoeabs.peaks (3.77, 0.80, 12.55 ppm; 4.05 A increased from 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.0-3.9 2477=97, 2475/2.1=84...(17) HA PHE 52 - QD1 ILE 50 far 0 89 0 - 7.8-8.9 HA3 GLY 69 - QD1 ILE 50 far 0 65 0 - 9.8-29.0 HA2 GLY 69 - QD1 ILE 50 far 0 63 0 - 10.0-30.3 Violated in 0 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (1.94, 0.80, 12.55 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (0.91, 0.80, 12.55 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + QD1 ILE 50 OK 100 100 100 100 1.9-2.4 2491=100, 2474/2507=32...(12) QD2 LEU 37 - QD1 ILE 50 far 0 100 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (1.29, 0.80, 12.55 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 44 - QD1 ILE 50 far 0 99 0 - 6.0-7.4 Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (1.69, 0.80, 12.55 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 49 - QD1 ILE 50 far 5 97 5 - 2.3-6.9 HD2 LYS 49 - QD1 ILE 50 far 0 97 0 - 3.6-7.2 HB2 ARG 56 - QD1 ILE 50 far 0 60 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2512 from cnoeabs.peaks (0.80, 0.80, 12.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + QD1 ILE 50 OK 100 100 - 100 Peak 2513 from cnoeabs.peaks (8.27, 4.02, 63.12 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA TRP 51 OK 100 100 100 100 2.8-2.8 2.9=100 H ASN 54 + HA TRP 51 OK 53 60 95 93 3.3-4.0 4.1/3813=40, 4.1/3811=33...(8) Violated in 0 structures by 0.00 A. Peak 2514 from cnoeabs.peaks (4.02, 4.02, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HA TRP 51 OK 100 100 - 100 Peak 2515 from cnoeabs.peaks (3.50, 4.02, 63.12 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HA TRP 51 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PHE 52 - HA TRP 51 far 0 63 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (3.29, 4.02, 63.12 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + HA TRP 51 OK 100 100 100 100 2.5-2.5 3.0=100 HB2 PHE 52 - HA TRP 51 far 0 89 0 - 5.7-6.6 HD3 ARG 34 - HA TRP 51 far 0 78 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (7.14, 4.02, 63.12 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 51 + HA TRP 51 OK 100 100 100 100 3.0-3.2 4572=99, 4574/3.0=82...(4) QD TYR 57 - HA TRP 51 far 0 100 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 2523 from cnoeabs.peaks (8.27, 3.50, 29.17 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HB2 TRP 51 OK 100 100 100 100 2.6-2.7 734=100, 735/1.8=89...(8) H ASN 54 - HB2 TRP 51 far 0 60 0 - 5.4-5.9 Violated in 0 structures by 0.00 A. Peak 2524 from cnoeabs.peaks (4.02, 3.50, 29.17 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB2 TRP 51 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2525 from cnoeabs.peaks (3.50, 3.50, 29.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 51 + HB2 TRP 51 OK 100 100 - 100 Peak 2526 from cnoeabs.peaks (3.29, 3.50, 29.17 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + HB2 TRP 51 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 52 - HB2 TRP 51 far 0 89 0 - 4.2-5.6 HD3 ARG 34 - HB2 TRP 51 far 0 78 0 - 6.2-7.9 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (7.14, 3.50, 29.17 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 51 + HB2 TRP 51 OK 100 100 100 100 3.8-3.9 3.9=100 QD TYR 28 - HB2 TRP 51 far 0 93 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (6.97, 3.50, 29.17 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + HB2 TRP 51 OK 100 100 100 100 2.5-2.6 4.2=100 HZ PHE 23 - HB2 TRP 51 far 0 73 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 2533 from cnoeabs.peaks (8.27, 3.29, 29.17 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HB3 TRP 51 OK 100 100 100 100 2.4-2.5 735=100, 734/1.8=82...(8) H ASN 54 - HB3 TRP 51 far 0 60 0 - 5.6-6.1 Violated in 0 structures by 0.00 A. Peak 2534 from cnoeabs.peaks (4.02, 3.29, 29.17 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB3 TRP 51 OK 100 100 100 100 2.5-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2535 from cnoeabs.peaks (3.50, 3.29, 29.17 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HB3 TRP 51 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 52 - HB3 TRP 51 far 0 63 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 2536 from cnoeabs.peaks (3.29, 3.29, 29.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 51 + HB3 TRP 51 OK 100 100 - 100 Peak 2537 from cnoeabs.peaks (7.14, 3.29, 29.17 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 51 + HB3 TRP 51 OK 100 100 100 100 2.7-2.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 2538 from cnoeabs.peaks (6.97, 3.29, 29.17 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + HB3 TRP 51 OK 100 100 100 100 4.0-4.1 4.2=100 HZ PHE 23 - HB3 TRP 51 far 0 73 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2544 from cnoeabs.peaks (4.02, 7.14, 127.21 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.99: * HA TRP 51 + HD1 TRP 51 OK 99 99 100 100 3.0-3.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (3.50, 7.14, 127.21 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.99: * HB2 TRP 51 + HD1 TRP 51 OK 99 99 100 100 3.8-3.9 3.9=100 HB3 PHE 52 - HD1 TRP 51 far 0 61 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 2546 from cnoeabs.peaks (3.29, 7.14, 127.21 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.99: * HB3 TRP 51 + HD1 TRP 51 OK 99 99 100 100 2.7-2.8 3.9=100 HB2 PHE 52 - HD1 TRP 51 far 0 87 0 - 7.8-8.7 HD3 ARG 34 - HD1 TRP 51 far 0 76 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2547 from cnoeabs.peaks (7.14, 7.14, 127.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 51 + HD1 TRP 51 OK 99 99 - 100 Peak 2549 from cnoeabs.peaks (9.95, 7.14, 127.21 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.99: * HE1 TRP 51 + HD1 TRP 51 OK 99 99 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (3.50, 6.97, 121.43 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.94: * HB2 TRP 51 + HE3 TRP 51 OK 89 89 100 100 2.5-2.6 4.2=100 HB3 PHE 52 + HE3 TRP 51 OK 50 50 100 100 3.8-4.6 3.0/4794=92, 2.5/4699=83...(5) Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (6.97, 6.97, 121.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: * HE3 TRP 51 + HE3 TRP 51 OK 89 89 - 100 Peak 2560 from cnoeabs.peaks (5.72, 6.97, 121.43 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.89: * HZ3 TRP 51 + HE3 TRP 51 OK 89 89 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (5.72, 5.72, 121.10 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * HZ3 TRP 51 + HZ3 TRP 51 OK 88 88 - 100 Peak 2579 from cnoeabs.peaks (9.95, 7.25, 114.23 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.98: * HE1 TRP 51 + HZ2 TRP 51 OK 98 98 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 2581 from cnoeabs.peaks (7.25, 7.25, 114.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ2 TRP 51 + HZ2 TRP 51 OK 98 98 - 100 Peak 2582 from cnoeabs.peaks (6.44, 7.25, 114.23 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.98: * HH2 TRP 51 + HZ2 TRP 51 OK 98 98 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 2590 from cnoeabs.peaks (5.72, 6.44, 123.75 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.86: * HZ3 TRP 51 + HH2 TRP 51 OK 86 86 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 2591 from cnoeabs.peaks (7.25, 6.44, 123.75 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.86: * HZ2 TRP 51 + HH2 TRP 51 OK 86 86 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 2592 from cnoeabs.peaks (6.44, 6.44, 123.75 ppm; diagonal): 1 out of 1 assignment used, quality = 0.86: * HH2 TRP 51 + HH2 TRP 51 OK 86 86 - 100 Peak 2593 from cnoeabs.peaks (8.94, 3.76, 63.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA PHE 52 OK 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (3.76, 3.76, 63.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + HA PHE 52 OK 100 100 - 100 Peak 2595 from cnoeabs.peaks (3.27, 3.76, 63.31 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + HA PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 TRP 51 - HA PHE 52 far 0 89 0 - 5.5-5.5 HD3 ARG 34 - HA PHE 52 far 0 100 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (3.53, 3.76, 63.31 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 52 + HA PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 TRP 51 - HA PHE 52 far 0 63 0 - 4.1-4.2 HD2 ARG 34 - HA PHE 52 far 0 93 0 - 7.9-9.7 Violated in 0 structures by 0.00 A. Peak 2598 from cnoeabs.peaks (7.75, 3.76, 63.31 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 52 + HA PHE 52 OK 100 100 100 100 3.0-3.0 3.7=100 H ARG 56 + HA PHE 52 OK 58 100 70 82 3.5-4.4 279/3817=48, 281/3818=42...(4) H THR 59 - HA PHE 52 far 0 78 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 2599 from cnoeabs.peaks (8.94, 3.27, 39.64 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB2 PHE 52 OK 100 100 100 100 2.2-3.6 4.1=100 Violated in 0 structures by 0.00 A. Peak 2600 from cnoeabs.peaks (3.76, 3.27, 39.64 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + HB2 PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HA ILE 50 - HB2 PHE 52 far 0 89 0 - 5.3-6.9 Violated in 0 structures by 0.00 A. Peak 2601 from cnoeabs.peaks (3.27, 3.27, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 52 + HB2 PHE 52 OK 100 100 - 100 Peak 2602 from cnoeabs.peaks (3.53, 3.27, 39.64 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 52 + HB2 PHE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TRP 51 - HB2 PHE 52 far 0 63 0 - 4.2-5.6 HD2 ARG 34 - HB2 PHE 52 far 0 93 0 - 5.3-8.2 Violated in 0 structures by 0.00 A. Peak 2603 from cnoeabs.peaks (7.53, 3.27, 39.64 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 52 + HB2 PHE 52 OK 100 100 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (7.75, 3.27, 39.64 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 52 + HB2 PHE 52 OK 100 100 100 100 2.3-2.5 2.5=100 H ARG 56 - HB2 PHE 52 far 0 100 0 - 4.9-6.3 H THR 59 - HB2 PHE 52 far 0 78 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2605 from cnoeabs.peaks (8.94, 3.53, 39.64 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB3 PHE 52 OK 100 100 100 100 2.3-3.5 4.1=88, 747/2.5=67...(7) Violated in 0 structures by 0.00 A. Peak 2606 from cnoeabs.peaks (3.76, 3.53, 39.64 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + HB3 PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HA ILE 50 - HB3 PHE 52 far 0 89 0 - 5.3-7.0 Violated in 0 structures by 0.00 A. Peak 2607 from cnoeabs.peaks (3.27, 3.53, 39.64 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + HB3 PHE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 34 - HB3 PHE 52 far 0 100 0 - 4.8-7.5 HB3 TRP 51 - HB3 PHE 52 far 0 89 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 2608 from cnoeabs.peaks (3.53, 3.53, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 52 + HB3 PHE 52 OK 100 100 - 100 Peak 2610 from cnoeabs.peaks (7.75, 3.53, 39.64 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 52 + HB3 PHE 52 OK 100 100 100 100 2.3-2.5 2.5=100 H ARG 56 - HB3 PHE 52 far 0 100 0 - 4.9-6.2 H THR 59 - HB3 PHE 52 far 0 78 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2615 from cnoeabs.peaks (7.53, 7.53, 132.28 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Reference assignment not found: QE PHE 52 - QE PHE 52 Peak 2616 from cnoeabs.peaks (7.75, 7.53, 132.28 ppm; 4.26 A): 0 out of 0 assignments used, quality = 0.00: Reference assignment not found: QD PHE 52 - QE PHE 52 Peak 2619 from cnoeabs.peaks (3.27, 7.75, 131.98 ppm; 4.95 A): 0 out of 0 assignments used, quality = 0.00: Reference assignment not found: HB2 PHE 52 - QD PHE 52 Peak 2621 from cnoeabs.peaks (7.53, 7.75, 131.98 ppm; 3.98 A): 0 out of 0 assignments used, quality = 0.00: Reference assignment not found: QE PHE 52 - QD PHE 52 Peak 2622 from cnoeabs.peaks (7.75, 7.75, 131.98 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Reference assignment not found: QD PHE 52 - QD PHE 52 Peak 2623 from cnoeabs.peaks (8.03, 3.94, 59.15 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + HA GLN 53 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (3.94, 3.94, 59.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + HA GLN 53 OK 100 100 - 100 Peak 2625 from cnoeabs.peaks (2.15, 3.94, 59.15 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HA GLN 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 49 - HA GLN 53 far 0 76 0 - 7.2-8.5 HB VAL 48 - HA GLN 53 far 0 93 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (2.22, 3.94, 59.15 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 53 + HA GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 56 - HA GLN 53 far 0 83 0 - 3.7-6.4 HG3 GLU 67 - HA GLN 53 far 0 65 0 - 8.3-30.0 Violated in 0 structures by 0.00 A. Peak 2627 from cnoeabs.peaks (2.44, 3.94, 59.15 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HA GLN 53 OK 100 100 100 100 2.9-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (2.37, 3.94, 59.15 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HA GLN 53 OK 100 100 100 100 2.4-3.9 3.7=100 HG2 GLN 63 - HA GLN 53 far 0 97 0 - 7.0-20.6 HG3 GLN 63 - HA GLN 53 far 0 99 0 - 8.3-21.6 Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (8.03, 2.15, 28.54 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.3-3.6 750=92, 751/1.8=84...(7) H LYS 22 - HB2 GLU 20 far 0 47 0 - 5.1-5.8 H LEU 41 - HB3 LYS 42 far 0 58 0 - 5.3-5.6 H ILE 17 - HB2 GLU 20 far 0 28 0 - 6.6-6.9 H ASN 40 - HB3 LYS 42 far 0 71 0 - 7.3-7.6 H GLN 47 - HB2 GLN 53 far 0 87 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (3.94, 2.15, 28.54 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 12 - HB3 LYS 42 far 0 79 0 - 7.5-9.9 HA GLN 47 - HB2 GLN 53 far 0 81 0 - 7.7-10.1 HB2 SER 65 - HB2 GLN 53 far 0 99 0 - 8.2-25.2 HB2 SER 66 - HB2 GLN 53 far 0 100 0 - 9.3-26.0 Violated in 0 structures by 0.00 A. Peak 2633 from cnoeabs.peaks (2.15, 2.15, 28.54 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HB2 GLN 53 OK 100 100 - 100 HB3 LYS 42 + HB3 LYS 42 OK 85 85 - 100 HB2 GLU 20 + HB2 GLU 20 OK 40 40 - 100 Peak 2634 from cnoeabs.peaks (2.22, 2.15, 28.54 ppm; 2.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 53 + HB2 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 56 - HB2 GLN 53 far 0 83 0 - 6.1-9.2 HG3 GLU 67 - HB2 GLN 53 far 0 65 0 - 6.4-30.9 HG3 GLU 67 - HB2 GLU 20 far 0 25 0 - 9.9-34.5 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (2.44, 2.15, 28.54 ppm; 3.89 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 20 + HB2 GLU 20 OK 39 39 100 100 2.6-3.0 3.0=100 HG2 GLU 20 + HB2 GLU 20 OK 27 27 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (2.37, 2.15, 28.54 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 MET 11 - HB3 LYS 42 far 0 68 0 - 7.3-8.8 HB3 LYS 22 - HB2 GLU 20 far 0 42 0 - 7.3-8.1 HG2 GLN 63 - HB2 GLN 53 far 0 97 0 - 7.4-21.9 HG3 GLN 63 - HB2 GLN 53 far 0 99 0 - 8.4-22.7 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (8.03, 2.22, 28.54 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.5-2.9 751=100, 2631/1.8=74...(6) H GLN 47 - HB3 GLN 53 far 0 87 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (3.94, 2.22, 28.54 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 47 - HB3 GLN 53 far 0 81 0 - 8.1-9.1 HB2 SER 65 - HB3 GLN 53 far 0 99 0 - 9.7-25.5 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (2.15, 2.22, 28.54 ppm; 2.52 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HB3 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 49 - HB3 GLN 53 far 0 76 0 - 5.2-6.9 HB VAL 48 - HB3 GLN 53 far 0 93 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 2642 from cnoeabs.peaks (2.22, 2.22, 28.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 53 + HB3 GLN 53 OK 100 100 - 100 Peak 2643 from cnoeabs.peaks (2.44, 2.22, 28.54 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (2.37, 2.22, 28.54 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 63 - HB3 GLN 53 far 0 97 0 - 9.1-22.1 Violated in 0 structures by 0.00 A. Peak 2647 from cnoeabs.peaks (8.03, 2.44, 33.72 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.2-4.3 752=100, 751/3.0=84...(6) H GLN 47 - HG2 GLN 53 far 0 87 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (3.94, 2.44, 33.72 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.9-3.6 3.7=100 HA GLN 47 - HG2 GLN 53 far 0 81 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 2649 from cnoeabs.peaks (2.15, 2.44, 33.72 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 49 - HG2 GLN 53 far 0 76 0 - 4.6-8.1 HB VAL 48 - HG2 GLN 53 far 0 93 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (2.22, 2.44, 33.72 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 56 - HG2 GLN 53 far 0 83 0 - 5.9-9.4 HG3 GLU 67 - HG2 GLN 53 far 0 65 0 - 9.2-33.2 Violated in 0 structures by 0.00 A. Peak 2651 from cnoeabs.peaks (2.44, 2.44, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HG2 GLN 53 OK 100 100 - 100 Peak 2652 from cnoeabs.peaks (2.37, 2.44, 33.72 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 53 + HG2 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 63 - HG2 GLN 53 far 0 97 0 - 9.0-23.8 Violated in 0 structures by 0.00 A. Peak 2653 from cnoeabs.peaks (6.93, 2.44, 33.72 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.1-3.6 3.5=100 HD22 ASN 54 - HG2 GLN 53 far 10 68 15 - 4.2-8.3 HZ PHE 23 - HG2 GLN 53 far 0 93 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (7.50, 2.44, 33.72 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.4-4.1 3.5=100 HD21 ASN 54 - HG2 GLN 53 far 5 92 5 - 4.0-8.3 QE PHE 52 - HG2 GLN 53 far 0 65 0 - 7.4-10.3 H TYR 28 - HG2 GLN 53 far 0 100 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (8.03, 2.37, 33.72 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.7-4.6 753=96, 751/3.0=88...(6) H GLN 47 - HG3 GLN 53 far 0 87 0 - 9.4-12.6 H GLN 53 - HG2 GLN 63 far 0 92 0 - 9.8-22.6 Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (3.94, 2.37, 33.72 ppm; 4.75 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.4-3.9 3.7=100 HB2 SER 65 - HG3 GLN 63 far 9 93 10 - 3.9-9.7 HB2 SER 66 - HG3 GLN 63 far 5 95 5 - 2.0-14.3 HB2 SER 66 - HG2 GLN 63 far 5 91 5 - 2.7-13.7 HB2 SER 65 - HG2 GLN 63 far 0 89 0 - 5.5-10.2 HA GLN 53 - HG2 GLN 63 far 0 92 0 - 7.0-20.6 HA GLN 47 - HG3 GLN 53 far 0 81 0 - 8.1-10.8 HA GLN 53 - HG3 GLN 63 far 0 96 0 - 8.3-21.6 HB2 SER 65 - HG3 GLN 53 far 0 99 0 - 9.5-25.1 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (2.15, 2.37, 33.72 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 49 - HG3 GLN 53 far 0 76 0 - 5.0-8.7 HB2 GLN 53 - HG2 GLN 63 far 0 92 0 - 7.4-21.9 HB2 GLN 53 - HG3 GLN 63 far 0 96 0 - 8.4-22.7 HB VAL 48 - HG3 GLN 53 far 0 93 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (2.22, 2.37, 33.72 ppm; 3.21 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 56 - HG3 GLN 53 far 0 83 0 - 5.3-9.9 HG2 ARG 56 - HG3 GLN 63 far 0 75 0 - 5.7-18.9 HG2 ARG 56 - HG2 GLN 63 far 0 71 0 - 6.0-18.6 HG3 GLU 67 - HG3 GLN 63 far 0 58 0 - 7.7-17.2 HG3 GLU 67 - HG3 GLN 53 far 0 65 0 - 8.1-31.6 HG3 GLU 67 - HG2 GLN 63 far 0 55 0 - 8.1-16.2 HB3 GLN 53 - HG2 GLN 63 far 0 92 0 - 9.1-22.1 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (2.44, 2.37, 33.72 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 53 + HG3 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 53 - HG2 GLN 63 far 0 92 0 - 9.0-23.8 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (2.37, 2.37, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HG3 GLN 53 OK 100 100 - 100 HG3 GLN 63 + HG3 GLN 63 OK 93 93 - 100 HG2 GLN 63 + HG2 GLN 63 OK 87 87 - 100 Peak 2661 from cnoeabs.peaks (6.93, 2.37, 33.72 ppm; 5.21 A): 1 out of 7 assignments used, quality = 1.00: * HE21 GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.2-4.1 3.5=100 HD22 ASN 54 - HG3 GLN 53 far 0 68 0 - 5.9-8.9 HZ PHE 23 - HG3 GLN 63 far 0 86 0 - 7.2-19.7 HE21 GLN 53 - HG2 GLN 63 far 0 92 0 - 7.8-25.0 HZ PHE 23 - HG2 GLN 63 far 0 82 0 - 8.2-20.0 HZ PHE 23 - HG3 GLN 53 far 0 93 0 - 8.2-11.7 HE21 GLN 53 - HG3 GLN 63 far 0 96 0 - 8.7-25.9 Violated in 0 structures by 0.00 A. Peak 2662 from cnoeabs.peaks (7.50, 2.37, 33.72 ppm; 4.40 A): 1 out of 7 assignments used, quality = 1.00: * HE22 GLN 53 + HG3 GLN 53 OK 100 100 100 100 3.5-4.1 3.5=100 HD21 ASN 54 - HG3 GLN 53 far 0 92 0 - 5.6-8.9 HE22 GLN 53 - HG2 GLN 63 far 0 92 0 - 6.7-24.9 HE22 GLN 53 - HG3 GLN 63 far 0 96 0 - 7.7-25.9 QE PHE 52 - HG3 GLN 53 far 0 65 0 - 7.7-10.5 H TYR 28 - HG3 GLN 53 far 0 100 0 - 8.5-13.3 H TYR 28 - HG3 GLN 63 far 0 96 0 - 9.1-26.3 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (8.29, 4.36, 55.11 ppm; 3.69 A): 1 out of 9 assignments used, quality = 1.00: * H ASN 54 + HA ASN 54 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 66 - HA LEU 64 far 0 51 0 - 3.8-6.5 H SER 66 - HA LEU 68 far 0 78 0 - 6.1-8.6 H LYS 62 - HA LEU 68 far 0 86 0 - 6.6-19.9 H LYS 62 - HA LEU 64 far 0 57 0 - 7.1-9.1 H TRP 51 - HA ASN 54 far 0 60 0 - 7.2-7.5 H SER 66 - HA ASN 54 far 0 93 0 - 8.3-23.9 H ASN 54 - HA LEU 68 far 0 88 0 - 9.4-30.8 H LYS 62 - HA ASN 54 far 0 99 0 - 9.6-15.4 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (4.36, 4.36, 55.11 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HA ASN 54 OK 100 100 - 100 HA LEU 68 + HA LEU 68 OK 85 85 - 100 HA LEU 64 + HA LEU 64 OK 44 44 - 100 Peak 2665 from cnoeabs.peaks (2.48, 4.36, 55.11 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 54 + HA ASN 54 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 GLU 20 - HA LEU 68 far 0 81 0 - 9.1-35.0 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (2.65, 4.36, 55.11 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HA ASN 54 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (7.49, 4.36, 55.11 ppm; 5.82 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 54 + HA ASN 54 OK 100 100 100 100 3.9-4.4 4.5=100 HE22 GLN 53 - HA ASN 54 far 5 92 5 - 5.5-8.8 HE22 GLN 53 - HA LEU 68 far 0 76 0 - 8.0-32.1 Violated in 0 structures by 0.00 A. Peak 2669 from cnoeabs.peaks (8.29, 2.48, 37.68 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 54 + HB2 ASN 54 OK 100 100 100 100 3.5-3.6 758=100, 759/1.8=88...(7) H TRP 51 - HB2 ASN 54 far 0 60 0 - 6.6-7.0 H SER 66 - HB2 ASN 54 far 0 93 0 - 9.3-25.6 Violated in 0 structures by 0.00 A. Peak 2670 from cnoeabs.peaks (4.36, 2.48, 37.68 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 54 + HB2 ASN 54 OK 100 100 100 100 2.5-2.7 3.0=100 HA LYS 49 - HB2 ASN 54 far 0 65 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (2.48, 2.48, 37.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 54 + HB2 ASN 54 OK 100 100 - 100 Peak 2672 from cnoeabs.peaks (2.65, 2.48, 37.68 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HB2 ASN 54 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (7.49, 2.48, 37.68 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HB2 ASN 54 OK 100 100 100 100 2.4-3.4 3.4=100 HE22 GLN 53 - HB2 ASN 54 far 0 92 0 - 6.9-10.7 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (6.91, 2.48, 37.68 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 54 + HB2 ASN 54 OK 100 100 100 100 3.6-4.0 3.4=100 HE21 GLN 53 - HB2 ASN 54 far 0 68 0 - 6.7-10.1 Violated in 0 structures by 0.00 A. Peak 2675 from cnoeabs.peaks (8.29, 2.65, 37.68 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + HB3 ASN 54 OK 100 100 100 100 2.2-2.6 759=100, 758/1.8=66...(7) H TRP 51 - HB3 ASN 54 far 0 60 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (4.36, 2.65, 37.68 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 54 + HB3 ASN 54 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 49 - HB3 ASN 54 far 0 65 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 2677 from cnoeabs.peaks (2.48, 2.65, 37.68 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 54 + HB3 ASN 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 11 - HB3 ASN 54 far 0 98 0 - 8.5-11.3 HG2 GLU 20 - HB3 ASN 54 far 0 96 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2678 from cnoeabs.peaks (2.65, 2.65, 37.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HB3 ASN 54 OK 100 100 - 100 Peak 2679 from cnoeabs.peaks (7.49, 2.65, 37.68 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HB3 ASN 54 OK 100 100 100 100 2.1-2.7 3.4=100 HE22 GLN 53 - HB3 ASN 54 far 0 92 0 - 5.8-9.6 Violated in 0 structures by 0.00 A. Peak 2680 from cnoeabs.peaks (6.91, 2.65, 37.68 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 54 + HB3 ASN 54 OK 100 100 100 100 3.4-3.7 3.4=100 HE21 GLN 53 - HB3 ASN 54 far 0 68 0 - 5.7-8.9 Violated in 0 structures by 0.00 A. Peak 2681 from cnoeabs.peaks (8.07, 3.43, 56.09 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HA ARG 55 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (3.43, 3.43, 56.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HA ARG 55 OK 100 100 - 100 Peak 2683 from cnoeabs.peaks (0.65, 3.43, 56.09 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 55 + HA ARG 55 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (-0.28, 3.43, 56.09 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HA ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 55 + HA ARG 55 OK 99 100 100 100 3.6-3.8 4.2=93, 3.0/4759=67...(7) QD1 LEU 19 - HA ARG 55 far 0 100 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 2685 from cnoeabs.peaks (-0.28, 3.43, 56.09 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HA ARG 55 OK 100 100 100 100 3.6-3.8 4.2=93, 3.0/4759=67...(7) HB3 ARG 55 + HA ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 19 - HA ARG 55 far 0 100 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 2686 from cnoeabs.peaks (-0.44, 3.43, 56.09 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HA ARG 55 OK 100 100 100 100 2.3-3.4 4.2=100 Violated in 0 structures by 0.00 A. Peak 2688 from cnoeabs.peaks (1.97, 3.43, 56.09 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.99: * HD3 ARG 55 + HA ARG 55 OK 99 100 100 99 3.8-4.0 1.8/4759=91, 2730=84...(4) HB3 GLU 67 - HA ARG 55 far 0 96 0 - 6.7-29.9 HB3 GLN 63 - HA ARG 55 far 0 71 0 - 9.1-19.0 Violated in 0 structures by 0.00 A. Peak 2689 from cnoeabs.peaks (8.07, 0.65, 28.41 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.2-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 2690 from cnoeabs.peaks (3.43, 0.65, 28.41 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2691 from cnoeabs.peaks (0.65, 0.65, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 55 + HB2 ARG 55 OK 100 100 - 100 Peak 2692 from cnoeabs.peaks (-0.28, 0.65, 28.41 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HB2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.4-2.5 3.0=100 QD1 LEU 19 - HB2 ARG 55 far 0 100 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 2693 from cnoeabs.peaks (-0.28, 0.65, 28.41 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 ARG 55 + HB2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 19 - HB2 ARG 55 far 0 100 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 2694 from cnoeabs.peaks (-0.44, 0.65, 28.41 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (8.07, -0.28, 28.41 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB3 ARG 55 OK 100 100 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (0.65, -0.28, 28.41 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 55 + HB3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 27 - HB3 ARG 55 far 0 87 0 - 8.9-10.3 QD1 LEU 43 - HB3 ARG 55 far 0 100 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 2700 from cnoeabs.peaks (-0.28, -0.28, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 Peak 2701 from cnoeabs.peaks (-0.28, -0.28, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 Reference assignment not found: HG2 ARG 55 - HB3 ARG 55 Peak 2702 from cnoeabs.peaks (-0.44, -0.28, 28.41 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HB3 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (0.65, -0.28, 23.54 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 55 + HG2 ARG 55 OK 100 100 100 100 2.4-2.5 3.0=100 QD1 LEU 43 - HG2 ARG 55 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 2708 from cnoeabs.peaks (-0.28, -0.28, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 Reference assignment not found: HB3 ARG 55 - HG2 ARG 55 Peak 2709 from cnoeabs.peaks (-0.28, -0.28, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 Peak 2710 from cnoeabs.peaks (-0.44, -0.28, 23.54 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HG2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (-0.28, -0.44, 23.54 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HG3 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 55 + HG3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 19 - HG3 ARG 55 far 0 100 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (-0.28, -0.44, 23.54 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HG3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 55 + HG3 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 19 - HG3 ARG 55 far 0 100 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (-0.44, -0.44, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 Peak 2722 from cnoeabs.peaks (3.43, 2.41, 40.78 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: * HA ARG 55 + HD2 ARG 55 OK 99 100 100 99 2.2-3.2 4759=91, 2688/1.8=72...(4) Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (-0.28, 2.41, 40.78 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.4-3.6 3.7=100 HG2 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.6-3.0 3.0=100 QD1 LEU 19 - HD2 ARG 55 far 0 100 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (-0.28, 2.41, 40.78 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.4-3.6 3.7=100 QD1 LEU 19 - HD2 ARG 55 far 0 100 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 2726 from cnoeabs.peaks (-0.44, 2.41, 40.78 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2727 from cnoeabs.peaks (2.41, 2.41, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 55 + HD2 ARG 55 OK 100 100 - 100 Peak 2728 from cnoeabs.peaks (1.97, 2.41, 40.78 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 67 - HD2 ARG 55 far 0 96 0 - 8.7-32.4 HB2 MET 11 - HD2 ARG 55 far 0 71 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 2730 from cnoeabs.peaks (3.43, 1.97, 40.78 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HD3 ARG 55 OK 100 100 100 100 3.8-4.0 2688=100, 4759/1.8=95...(4) Violated in 0 structures by 0.00 A. Peak 2732 from cnoeabs.peaks (-0.28, 1.97, 40.78 ppm; 4.80 A): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.6-4.2 3.7=100 HG2 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.2-2.5 3.0=100 QD1 LEU 19 + HD3 ARG 55 OK 99 100 100 99 4.4-4.8 4704=78, 4679/4677=74...(8) Violated in 0 structures by 0.00 A. Peak 2733 from cnoeabs.peaks (-0.28, 1.97, 40.78 ppm; 4.80 A): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.6-4.2 3.7=100 QD1 LEU 19 + HD3 ARG 55 OK 99 100 100 99 4.4-4.8 4704=78, 4679/4677=73...(8) Violated in 0 structures by 0.00 A. Peak 2734 from cnoeabs.peaks (-0.44, 1.97, 40.78 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (2.41, 1.97, 40.78 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 55 + HD3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 20 - HD3 ARG 55 far 0 90 0 - 5.9-7.8 HG2 MET 11 - HD3 ARG 55 far 0 81 0 - 6.9-9.0 HB3 LYS 22 - HD3 ARG 55 far 0 65 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2736 from cnoeabs.peaks (1.97, 1.97, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 Peak 2737 from cnoeabs.peaks (7.75, 4.08, 59.51 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 56 + HA ARG 56 OK 100 100 100 100 2.8-2.9 3.0=100 H THR 59 + HA ARG 56 OK 59 78 100 76 3.3-3.6 4.0/4841=43, 908/3843=36...(4) QD PHE 52 - HA ARG 56 far 0 100 0 - 6.3-7.3 QD PHE 52 - HA ARG 21 far 0 93 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (4.08, 4.08, 59.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 56 + HA ARG 56 OK 100 100 - 100 HA ARG 21 + HA ARG 21 OK 89 89 - 100 Peak 2739 from cnoeabs.peaks (1.72, 4.08, 59.51 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 56 + HA ARG 56 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 ARG 61 - HA ARG 56 far 0 99 0 - 4.5-12.2 HB3 LYS 58 - HA ARG 56 far 0 97 0 - 5.0-6.9 HG2 LYS 22 - HA ARG 21 far 0 91 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (2.04, 4.08, 59.51 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 56 + HA ARG 56 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 20 - HA ARG 21 far 0 93 0 - 4.1-4.4 HB2 LYS 22 - HA ARG 21 far 0 73 0 - 5.5-5.7 HB3 GLN 26 - HA ARG 21 far 0 83 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 2741 from cnoeabs.peaks (2.20, 4.08, 59.51 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HA ARG 56 OK 100 100 100 100 2.1-3.6 3.8=100 HB3 GLN 53 - HA ARG 56 far 0 83 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 2742 from cnoeabs.peaks (1.45, 4.08, 59.51 ppm; 3.60 A): 1 out of 6 assignments used, quality = 0.99: * HG3 ARG 56 + HA ARG 56 OK 99 100 100 99 2.3-3.4 3.8=86, 775/3.0=45...(7) HG3 LYS 58 - HA ARG 56 far 0 100 0 - 4.6-7.3 HG3 LYS 62 - HA ARG 56 far 0 83 0 - 5.3-14.9 HG2 LYS 62 - HA ARG 56 far 0 83 0 - 5.3-15.0 HG2 LYS 60 - HA ARG 56 far 0 65 0 - 6.6-11.4 HG3 LYS 60 - HA ARG 56 far 0 68 0 - 7.0-10.8 Violated in 0 structures by 0.00 A. Peak 2743 from cnoeabs.peaks (2.71, 4.08, 59.51 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HA ARG 56 OK 100 100 100 100 2.5-4.7 5.1=100 Violated in 0 structures by 0.00 A. Peak 2744 from cnoeabs.peaks (2.84, 4.08, 59.51 ppm; 5.10 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 56 + HA ARG 56 OK 100 100 100 100 3.7-4.7 5.1=99, 3.0/2742=91...(5) HE2 LYS 27 - HA ARG 56 far 15 99 15 - 3.8-8.4 HE2 LYS 58 - HA ARG 56 far 0 65 0 - 6.5-10.4 HE3 LYS 58 - HA ARG 56 far 0 65 0 - 7.5-9.8 HE2 LYS 27 - HA ARG 21 far 0 91 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 2745 from cnoeabs.peaks (7.75, 1.72, 31.63 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.1-3.6 3.9=100 QD PHE 52 - HB2 ARG 56 far 0 100 0 - 4.3-7.1 H THR 59 - HB2 ARG 56 far 0 78 0 - 4.8-5.8 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (4.08, 1.72, 31.63 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.6-2.7 3.0=100 HA LYS 58 - HB2 ARG 56 far 0 63 0 - 7.5-8.4 HA SER 24 - HB2 ARG 56 far 0 100 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (1.72, 1.72, 31.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HB2 ARG 56 OK 100 100 - 100 Peak 2748 from cnoeabs.peaks (2.04, 1.72, 31.63 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 56 + HB2 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 26 - HB2 ARG 56 far 0 93 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (2.20, 1.72, 31.63 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 GLN 53 - HB2 ARG 56 far 0 83 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (1.45, 1.72, 31.63 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 62 - HB2 ARG 56 far 0 83 0 - 4.9-16.0 HG3 LYS 62 - HB2 ARG 56 far 0 83 0 - 5.8-16.2 HG3 LYS 58 - HB2 ARG 56 far 0 100 0 - 6.5-8.4 HG3 LYS 60 - HB2 ARG 56 far 0 68 0 - 7.6-13.4 HG2 LYS 60 - HB2 ARG 56 far 0 65 0 - 7.7-14.1 HB3 LEU 29 - HB2 ARG 56 far 0 99 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 2751 from cnoeabs.peaks (2.71, 1.72, 31.63 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.1-4.0 3.6=100 HB3 TYR 28 - HB2 ARG 56 far 0 100 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (2.84, 1.72, 31.63 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.2-4.0 3.6=100 HE2 LYS 27 - HB2 ARG 56 far 5 99 5 - 4.2-9.3 HE2 LYS 58 - HB2 ARG 56 far 0 65 0 - 8.4-11.9 HE3 LYS 58 - HB2 ARG 56 far 0 65 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (7.75, 2.04, 31.63 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.2-3.0 3.9=100 H THR 59 - HB3 ARG 56 far 0 78 0 - 5.2-5.7 QD PHE 52 - HB3 ARG 56 far 0 100 0 - 5.5-6.7 QD PHE 52 - HB2 GLN 26 far 0 72 0 - 6.4-7.3 QD PHE 52 - HB3 GLN 26 far 0 72 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 2754 from cnoeabs.peaks (4.08, 2.04, 31.63 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 56 + HB3 ARG 56 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 24 - HB3 GLN 26 far 0 72 0 - 7.3-7.7 HA LYS 58 - HB3 ARG 56 far 0 63 0 - 7.6-8.0 HA SER 24 - HB2 GLN 26 far 0 72 0 - 7.8-8.3 HA ARG 21 - HB3 GLN 26 far 0 68 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (1.72, 2.04, 31.63 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 56 + HB3 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 61 - HB3 ARG 56 far 0 99 0 - 6.4-13.4 HB3 LYS 58 - HB3 ARG 56 far 0 97 0 - 6.7-7.9 HG2 LYS 22 - HB3 GLN 26 far 0 70 0 - 6.9-8.7 HG2 LYS 22 - HB2 GLN 26 far 0 70 0 - 7.2-9.0 HD2 LYS 49 - HB3 ARG 56 far 0 87 0 - 7.9-11.6 HD3 LYS 49 - HB3 ARG 56 far 0 85 0 - 8.6-12.4 HB2 ARG 56 - HB2 GLN 26 far 0 72 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (2.04, 2.04, 31.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 56 + HB3 ARG 56 OK 100 100 - 100 HB3 GLN 26 + HB3 GLN 26 OK 62 62 - 100 HB2 GLN 26 + HB2 GLN 26 OK 62 62 - 100 Peak 2757 from cnoeabs.peaks (2.20, 2.04, 31.63 ppm; 5.68 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 53 + HB3 ARG 56 OK 65 83 80 99 5.1-6.4 3.0/3827=90, ~3825=65, ~3826=65 HG2 ARG 56 - HB2 GLN 26 far 0 72 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (1.45, 2.04, 31.63 ppm; 4.79 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 LYS 62 - HB3 ARG 56 far 0 83 0 - 6.0-17.2 HG3 LYS 58 - HB3 ARG 56 far 0 100 0 - 6.0-7.9 HG2 LYS 62 - HB3 ARG 56 far 0 83 0 - 6.2-17.5 HB3 LEU 29 - HB2 GLN 26 far 0 69 0 - 7.0-7.8 HB3 LEU 29 - HB3 GLN 26 far 0 69 0 - 7.7-8.5 HG3 ARG 56 - HB2 GLN 26 far 0 72 0 - 7.9-10.1 HG3 LYS 60 - HB3 ARG 56 far 0 68 0 - 9.0-12.9 HG2 LYS 60 - HB3 ARG 56 far 0 65 0 - 9.1-13.7 HG3 ARG 56 - HB3 GLN 26 far 0 72 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2760 from cnoeabs.peaks (2.84, 2.04, 31.63 ppm; 4.48 A): 1 out of 8 assignments used, quality = 1.00: * HD3 ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 27 - HB2 GLN 26 far 0 70 0 - 4.8-8.3 HE2 LYS 27 - HB3 ARG 56 far 0 99 0 - 5.0-9.7 HE2 LYS 27 - HB3 GLN 26 far 0 70 0 - 5.3-9.3 HE2 LYS 58 - HB3 ARG 56 far 0 65 0 - 7.6-11.3 HD3 ARG 56 - HB2 GLN 26 far 0 72 0 - 8.0-10.9 HE3 LYS 58 - HB3 ARG 56 far 0 65 0 - 8.3-10.7 HD3 ARG 56 - HB3 GLN 26 far 0 72 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (7.75, 2.20, 30.34 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 56 + HG2 ARG 56 OK 100 100 100 100 3.5-4.4 4.6=100 QD PHE 52 - HG2 ARG 56 far 10 100 10 - 3.9-6.7 H THR 59 - HG2 ARG 56 far 4 78 5 - 4.8-7.0 Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (4.08, 2.20, 30.34 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.1-3.6 3.8=100 HA LYS 58 - HG2 ARG 56 far 0 63 0 - 7.9-9.8 HA SER 24 - HG2 ARG 56 far 0 100 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 2763 from cnoeabs.peaks (1.72, 2.20, 30.34 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 ARG 61 - HG2 ARG 56 far 5 99 5 - 4.4-14.4 HB3 LYS 58 - HG2 ARG 56 far 0 97 0 - 7.1-9.2 HD2 LYS 49 - HG2 ARG 56 far 0 87 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2764 from cnoeabs.peaks (2.04, 2.20, 30.34 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 26 - HG2 ARG 56 far 0 93 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2765 from cnoeabs.peaks (2.20, 2.20, 30.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HG2 ARG 56 OK 100 100 - 100 Peak 2766 from cnoeabs.peaks (1.45, 2.20, 30.34 ppm; 3.70 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HG2 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 62 - HG2 ARG 56 far 0 83 0 - 6.0-16.0 HG2 LYS 62 - HG2 ARG 56 far 0 83 0 - 6.5-16.0 HG3 LYS 58 - HG2 ARG 56 far 0 100 0 - 6.8-9.9 HG2 LYS 60 - HG2 ARG 56 far 0 65 0 - 7.6-13.5 HG3 LYS 60 - HG2 ARG 56 far 0 68 0 - 8.0-12.3 HB3 LEU 29 - HG2 ARG 56 far 0 99 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (2.71, 2.20, 30.34 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 28 - HG2 ARG 56 far 0 100 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 2768 from cnoeabs.peaks (2.84, 2.20, 30.34 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 27 - HG2 ARG 56 poor 19 99 30 64 2.0-7.6 4862/4643=58, ~1654=7, ~1664=6 HE2 LYS 58 - HG2 ARG 56 far 0 65 0 - 8.8-12.8 HE3 LYS 58 - HG2 ARG 56 far 0 65 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2769 from cnoeabs.peaks (7.75, 1.45, 30.34 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.6-4.3 4.6=100 QD PHE 52 + HG3 ARG 56 OK 46 100 85 54 3.9-5.4 4635/4646=54 H THR 59 - HG3 ARG 56 far 0 78 0 - 5.8-6.7 Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (4.08, 1.45, 30.34 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.3-3.4 3.8=100 HA SER 24 - HG3 ARG 56 far 0 100 0 - 8.3-9.6 HA LYS 58 - HG3 ARG 56 far 0 63 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (1.72, 1.45, 30.34 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 61 - HG3 ARG 56 far 0 99 0 - 6.1-14.1 HB3 LYS 58 - HG3 ARG 56 far 0 97 0 - 7.5-9.0 HD2 LYS 49 - HG3 ARG 56 far 0 87 0 - 8.8-13.2 HD3 LYS 49 - HG3 ARG 56 far 0 85 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 2772 from cnoeabs.peaks (2.04, 1.45, 30.34 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 GLN 26 - HG3 ARG 56 far 0 93 0 - 7.9-10.1 HB3 GLN 26 - HG3 ARG 56 far 0 93 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2773 from cnoeabs.peaks (2.20, 1.45, 30.34 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HG3 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 53 - HG3 ARG 56 far 0 83 0 - 6.3-8.3 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (1.45, 1.45, 30.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HG3 ARG 56 OK 100 100 - 100 Peak 2775 from cnoeabs.peaks (2.71, 1.45, 30.34 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 28 - HG3 ARG 56 far 0 100 0 - 6.8-9.5 Violated in 0 structures by 0.00 A. Peak 2776 from cnoeabs.peaks (2.84, 1.45, 30.34 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 27 - HG3 ARG 56 far 10 99 10 - 3.3-7.5 HE2 LYS 58 - HG3 ARG 56 far 0 65 0 - 8.0-12.9 HE3 LYS 58 - HG3 ARG 56 far 0 65 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (1.72, 2.71, 43.43 ppm; 4.78 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.1-4.0 3.6=100 HB3 ARG 61 - HD2 ARG 56 far 5 99 5 - 4.5-14.2 HB3 LYS 58 - HD2 ARG 56 far 0 97 0 - 8.0-11.0 HD2 LYS 49 - HD2 ARG 56 far 0 87 0 - 9.1-14.0 HD3 LYS 49 - HD2 ARG 56 far 0 85 0 - 9.3-15.0 Violated in 0 structures by 0.00 A. Peak 2780 from cnoeabs.peaks (2.04, 2.71, 43.43 ppm; 5.23 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.2-4.1 3.6=100 HB2 GLN 26 - HD2 ARG 56 far 0 93 0 - 7.6-10.8 HB3 GLN 26 - HD2 ARG 56 far 0 93 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (2.20, 2.71, 43.43 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 53 - HD2 ARG 56 far 0 83 0 - 5.0-9.4 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.45, 2.71, 43.43 ppm; 4.33 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 62 - HD2 ARG 56 far 0 83 0 - 4.8-17.2 HG2 LYS 62 - HD2 ARG 56 far 0 83 0 - 5.2-18.0 HG2 LYS 60 - HD2 ARG 56 far 0 65 0 - 7.2-14.8 HG3 LYS 60 - HD2 ARG 56 far 0 68 0 - 7.7-14.6 HB3 LEU 29 - HD2 ARG 56 far 0 99 0 - 7.9-12.9 HG3 LYS 58 - HD2 ARG 56 far 0 100 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 2783 from cnoeabs.peaks (2.71, 2.71, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HD2 ARG 56 OK 100 100 - 100 Peak 2784 from cnoeabs.peaks (2.84, 2.71, 43.43 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HD2 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 27 - HD2 ARG 56 far 0 99 0 - 4.5-8.6 HE3 LYS 58 - HD2 ARG 56 far 0 65 0 - 9.7-13.1 HE2 LYS 58 - HD2 ARG 56 far 0 65 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 2787 from cnoeabs.peaks (1.72, 2.84, 43.43 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.2-4.0 3.6=100 HB3 ARG 61 - HD3 ARG 56 far 0 99 0 - 5.9-14.8 HB3 LYS 58 - HD3 ARG 56 far 0 97 0 - 8.4-11.1 HD2 LYS 49 - HD3 ARG 56 far 0 87 0 - 9.0-13.7 HD3 LYS 49 - HD3 ARG 56 far 0 85 0 - 9.2-13.9 Violated in 0 structures by 0.00 A. Peak 2788 from cnoeabs.peaks (2.04, 2.84, 43.43 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.1-4.2 3.6=100 HB2 GLN 26 - HD3 ARG 56 far 0 93 0 - 8.0-10.9 HB3 GLN 26 - HD3 ARG 56 far 0 93 0 - 9.4-12.3 HB2 LYS 22 - HD3 ARG 56 far 0 83 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (2.20, 2.84, 43.43 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 53 - HD3 ARG 56 far 0 83 0 - 5.6-9.1 Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (1.45, 2.84, 43.43 ppm; 4.27 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 62 - HD3 ARG 56 far 0 83 0 - 6.0-17.6 HG2 LYS 62 - HD3 ARG 56 far 0 83 0 - 6.8-18.0 HB3 LEU 29 - HD3 ARG 56 far 0 99 0 - 8.0-11.9 HG3 LYS 58 - HD3 ARG 56 far 0 100 0 - 8.4-11.2 HG2 LYS 60 - HD3 ARG 56 far 0 65 0 - 8.5-15.2 HG3 LYS 60 - HD3 ARG 56 far 0 68 0 - 9.3-14.6 Violated in 0 structures by 0.00 A. Peak 2791 from cnoeabs.peaks (2.71, 2.84, 43.43 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HD3 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 28 - HD3 ARG 56 far 0 100 0 - 6.4-8.3 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (2.84, 2.84, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HD3 ARG 56 OK 100 100 - 100 Peak 2793 from cnoeabs.peaks (7.56, 4.44, 59.02 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HA TYR 57 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2794 from cnoeabs.peaks (4.44, 4.44, 59.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 57 + HA TYR 57 OK 100 100 - 100 Peak 2795 from cnoeabs.peaks (3.09, 4.44, 59.02 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + HA TYR 57 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (3.17, 4.44, 59.02 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 57 + HA TYR 57 OK 100 100 100 100 2.3-2.4 3.0=100 HD3 ARG 61 - HA TYR 57 far 0 71 0 - 5.4-12.8 HD2 ARG 61 - HA TYR 57 far 0 71 0 - 6.2-12.4 Violated in 0 structures by 0.00 A. Peak 2798 from cnoeabs.peaks (7.14, 4.44, 59.02 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + HA TYR 57 OK 100 100 100 100 2.9-3.1 4614=99, 783/3.0=39...(7) QD TYR 28 - HA TYR 57 far 0 93 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 2799 from cnoeabs.peaks (7.56, 3.09, 37.92 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB2 TYR 57 OK 100 100 100 100 2.2-2.4 780=100, 781/1.8=87...(7) Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (4.44, 3.09, 37.92 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + HB2 TYR 57 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 65 - HB2 TYR 57 far 0 100 0 - 7.4-21.3 HA SER 66 - HB2 TYR 57 far 0 95 0 - 7.8-24.2 Violated in 0 structures by 0.00 A. Peak 2801 from cnoeabs.peaks (3.09, 3.09, 37.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + HB2 TYR 57 OK 100 100 - 100 Peak 2802 from cnoeabs.peaks (3.17, 3.09, 37.92 ppm; 2.63 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 57 + HB2 TYR 57 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 61 - HB2 TYR 57 far 0 71 0 - 6.8-15.4 HD2 ARG 61 - HB2 TYR 57 far 0 71 0 - 8.0-14.9 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (7.14, 3.09, 37.92 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + HB2 TYR 57 OK 100 100 100 100 2.4-2.4 2.5=100 HD1 TRP 51 - HB2 TYR 57 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (7.56, 3.17, 37.92 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB3 TYR 57 OK 100 100 100 100 2.7-3.0 781=100, 780/1.8=87...(7) Violated in 0 structures by 0.00 A. Peak 2806 from cnoeabs.peaks (4.44, 3.17, 37.92 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + HB3 TYR 57 OK 100 100 100 100 2.3-2.4 3.0=100 HA SER 65 - HB3 TYR 57 far 0 100 0 - 5.9-20.4 HA SER 66 - HB3 TYR 57 far 0 95 0 - 6.1-23.4 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (3.09, 3.17, 37.92 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + HB3 TYR 57 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (3.17, 3.17, 37.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 57 + HB3 TYR 57 OK 100 100 - 100 Peak 2810 from cnoeabs.peaks (7.14, 3.17, 37.92 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + HB3 TYR 57 OK 100 100 100 100 2.4-2.4 2.5=100 QD TYR 28 - HB3 TYR 57 far 0 93 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2815 from cnoeabs.peaks (6.81, 6.81, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 57 + QE TYR 57 OK 100 100 - 100 Peak 2816 from cnoeabs.peaks (7.14, 6.81, 117.91 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + QE TYR 57 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (4.44, 7.14, 133.12 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.86: * HA TYR 57 + QD TYR 57 OK 86 86 100 100 2.9-3.1 3.7=100 HA SER 66 - QD TYR 57 far 4 77 5 - 4.6-20.6 HA SER 65 - QD TYR 57 far 0 86 0 - 5.7-18.3 Violated in 0 structures by 0.00 A. Peak 2819 from cnoeabs.peaks (3.09, 7.14, 133.12 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.86: * HB2 TYR 57 + QD TYR 57 OK 86 86 100 100 2.4-2.4 2.5=100 Violated in 0 structures by 0.00 A. Peak 2820 from cnoeabs.peaks (3.17, 7.14, 133.12 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.86: * HB3 TYR 57 + QD TYR 57 OK 86 86 100 100 2.4-2.4 2.5=100 HD3 ARG 61 - QD TYR 57 far 3 55 5 - 4.6-14.0 HD2 ARG 61 - QD TYR 57 far 0 55 0 - 5.4-13.2 Violated in 0 structures by 0.00 A. Peak 2821 from cnoeabs.peaks (6.81, 7.14, 133.12 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.86: * QE TYR 57 + QD TYR 57 OK 86 86 100 100 2.2-2.2 2.2=100 QE TYR 28 - QD TYR 57 far 0 55 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2822 from cnoeabs.peaks (7.14, 7.14, 133.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.86: * QD TYR 57 + QD TYR 57 OK 86 86 - 100 Peak 2823 from cnoeabs.peaks (7.68, 4.11, 57.48 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HA LYS 58 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2824 from cnoeabs.peaks (4.11, 4.11, 57.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + HA LYS 58 OK 100 100 - 100 Peak 2825 from cnoeabs.peaks (1.80, 4.11, 57.48 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LYS 62 - HA LYS 58 far 0 65 0 - 3.9-13.2 HB3 LYS 60 - HA LYS 58 far 0 73 0 - 4.2-8.8 HB2 ARG 61 - HA LYS 58 far 0 98 0 - 4.6-10.9 HB2 LYS 62 - HA LYS 58 far 0 68 0 - 4.7-13.8 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (1.73, 4.11, 57.48 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + HA LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 61 - HA LYS 58 far 5 100 5 - 3.1-11.6 HB2 ARG 56 - HA LYS 58 far 0 97 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (1.36, 4.11, 57.48 ppm; 3.96 A increased from 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.5-3.8 4.0=98, 1.8/2864=75...(14) Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (1.45, 4.11, 57.48 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + HA LYS 58 OK 100 100 100 100 2.4-3.7 4.0=100 HG3 LYS 62 - HA LYS 58 far 0 81 0 - 4.7-15.1 HG2 LYS 60 - HA LYS 58 far 0 63 0 - 4.8-10.0 HG2 LYS 62 - HA LYS 58 far 0 81 0 - 5.0-15.7 HG3 LYS 60 - HA LYS 58 far 0 65 0 - 5.9-9.7 HG3 ARG 56 - HA LYS 58 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 2829 from cnoeabs.peaks (1.54, 4.11, 57.48 ppm; 4.96 A increased from 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.2-4.9 5.1=92, 3.0/2827=84...(12) HD3 LYS 58 + HA LYS 58 OK 80 100 80 100 3.2-5.5 5.1=92, 3.0/2827=84...(12) Violated in 0 structures by 0.00 A. Peak 2830 from cnoeabs.peaks (1.54, 4.11, 57.48 ppm; 4.96 A increased from 3.97 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.2-4.9 5.1=92, 3.0/2827=84...(12) * HD3 LYS 58 + HA LYS 58 OK 80 100 80 100 3.2-5.5 5.1=92, 3.0/2827=84...(12) Violated in 0 structures by 0.00 A. Peak 2833 from cnoeabs.peaks (7.68, 1.80, 32.42 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB2 LYS 58 OK 100 100 100 100 3.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (4.11, 1.80, 32.42 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.4-2.6 3.0=100 HA ARG 56 - HB2 LYS 58 far 0 63 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (1.80, 1.80, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HB2 LYS 58 OK 100 100 - 100 Peak 2836 from cnoeabs.peaks (1.73, 1.80, 32.42 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 61 - HB2 LYS 58 far 0 100 0 - 4.2-13.1 HB2 ARG 56 - HB2 LYS 58 far 0 97 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.36, 1.80, 32.42 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.3-2.9 2.8=100 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (1.45, 1.80, 32.42 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.7-3.0 2.8=100 HG2 LYS 60 - HB2 LYS 58 far 0 63 0 - 5.8-11.1 HG3 LYS 60 - HB2 LYS 58 far 0 65 0 - 5.9-10.7 HG3 LYS 62 - HB2 LYS 58 far 0 81 0 - 6.6-16.2 HG2 LYS 62 - HB2 LYS 58 far 0 81 0 - 7.1-17.1 HG3 ARG 56 - HB2 LYS 58 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 2839 from cnoeabs.peaks (1.54, 1.80, 32.42 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.1-3.8 3.5=100 * HD2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.3-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 2840 from cnoeabs.peaks (1.54, 1.80, 32.42 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.3-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (7.68, 1.73, 32.42 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-2.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2844 from cnoeabs.peaks (4.11, 1.73, 32.42 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 56 - HB3 LYS 58 far 0 63 0 - 5.0-6.9 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.80, 1.73, 32.42 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 62 - HB3 LYS 58 far 0 65 0 - 6.5-15.2 HB3 LYS 60 - HB3 LYS 58 far 0 73 0 - 6.7-9.7 HB2 ARG 61 - HB3 LYS 58 far 0 98 0 - 7.0-12.8 HB2 LYS 62 - HB3 LYS 58 far 0 68 0 - 7.0-16.0 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (1.73, 1.73, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 58 + HB3 LYS 58 OK 100 100 - 100 Peak 2847 from cnoeabs.peaks (1.36, 1.73, 32.42 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.2-3.0 2.8=100 HD3 LYS 27 - HB3 LYS 58 far 0 68 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 2848 from cnoeabs.peaks (1.45, 1.73, 32.42 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.4-3.0 2.8=100 HG3 LYS 62 - HB3 LYS 58 far 0 81 0 - 6.3-16.2 HG2 LYS 62 - HB3 LYS 58 far 0 81 0 - 6.8-16.3 HG3 LYS 60 - HB3 LYS 58 far 0 65 0 - 6.8-10.8 HG2 LYS 60 - HB3 LYS 58 far 0 63 0 - 7.2-11.1 HG3 ARG 56 - HB3 LYS 58 far 0 100 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 2849 from cnoeabs.peaks (1.54, 1.73, 32.42 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-4.2 3.5=100 * HD2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (1.54, 1.73, 32.42 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (7.68, 1.36, 24.85 ppm; 5.57 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.6-4.1 4.9=100 H LYS 39 - HG3 LYS 42 far 0 97 0 - 7.4-9.4 H LYS 39 - HG2 LYS 42 far 0 97 0 - 7.7-9.3 HE22 GLN 47 - HG2 LYS 42 far 0 92 0 - 9.4-12.1 HE22 GLN 47 - HG3 LYS 42 far 0 92 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 2854 from cnoeabs.peaks (4.11, 1.36, 24.85 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.5-3.8 4.0=100 HA ARG 56 - HG2 LYS 58 far 0 63 0 - 4.7-8.4 HA LYS 39 - HG3 LYS 42 far 0 64 0 - 5.0-7.2 HA LYS 39 - HG2 LYS 42 far 0 64 0 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (1.80, 1.36, 24.85 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-2.9 2.8=100 HB2 ARG 61 - HG2 LYS 58 far 0 98 0 - 5.9-14.0 HB3 LYS 60 - HG2 LYS 58 far 0 73 0 - 6.6-11.4 HB3 LYS 62 - HG2 LYS 58 far 0 65 0 - 7.0-16.7 HB2 LYS 62 - HG2 LYS 58 far 0 68 0 - 8.2-17.5 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (1.73, 1.36, 24.85 ppm; 3.49 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-3.0 2.8=100 HD2 LYS 42 + HG3 LYS 42 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 42 + HG2 LYS 42 OK 93 93 100 100 2.4-3.0 3.0=100 HB3 ARG 61 - HG2 LYS 58 far 0 100 0 - 4.8-13.5 HB2 ARG 56 - HG2 LYS 58 far 0 97 0 - 7.0-9.7 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (1.36, 1.36, 24.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 HG3 LYS 42 + HG3 LYS 42 OK 97 97 - 100 HG2 LYS 42 + HG2 LYS 42 OK 97 97 - 100 Peak 2858 from cnoeabs.peaks (1.45, 1.36, 24.85 ppm; 2.43 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 41 - HG2 LYS 42 far 0 62 0 - 5.0-7.6 HG LEU 43 - HG2 LYS 42 far 0 85 0 - 5.1-7.0 HG LEU 43 - HG3 LYS 42 far 0 85 0 - 6.0-6.6 HG2 LYS 60 - HG2 LYS 58 far 0 63 0 - 6.0-12.9 HB3 LEU 41 - HG3 LYS 42 far 0 62 0 - 6.4-7.1 HG2 LYS 39 - HG3 LYS 42 far 0 69 0 - 6.6-9.6 HG3 ARG 56 - HG2 LYS 58 far 0 100 0 - 6.8-10.9 HG3 LYS 62 - HG2 LYS 58 far 0 81 0 - 6.9-17.5 HG2 LYS 39 - HG2 LYS 42 far 0 69 0 - 7.2-8.7 HG2 LYS 62 - HG2 LYS 58 far 0 81 0 - 7.3-18.2 HG3 LYS 60 - HG2 LYS 58 far 0 65 0 - 7.4-12.2 Violated in 0 structures by 0.00 A. Peak 2859 from cnoeabs.peaks (1.54, 1.36, 24.85 ppm; 3.08 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 39 - HG2 LYS 42 far 0 97 0 - 7.3-9.8 HG3 LYS 39 - HG3 LYS 42 far 0 97 0 - 7.8-10.2 HG LEU 37 - HG2 LYS 42 far 0 79 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2860 from cnoeabs.peaks (1.54, 1.36, 24.85 ppm; 3.08 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 39 - HG2 LYS 42 far 0 97 0 - 7.3-9.8 HG3 LYS 39 - HG3 LYS 42 far 0 97 0 - 7.8-10.2 HG LEU 37 - HG2 LYS 42 far 0 79 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (2.87, 1.36, 24.85 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 * HE2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 HD3 ARG 56 - HG2 LYS 58 far 0 65 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 2862 from cnoeabs.peaks (2.87, 1.36, 24.85 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 HE2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 HD3 ARG 56 - HG2 LYS 58 far 0 65 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (7.68, 1.45, 24.85 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HG3 LYS 58 OK 100 100 100 100 1.9-3.0 789=100, 787/2.8=86...(15) Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (4.11, 1.45, 24.85 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 58 + HG3 LYS 58 OK 99 100 100 99 2.4-3.7 4.0=99 HA ARG 56 - HG3 LYS 58 far 0 63 0 - 4.6-7.3 Violated in 0 structures by 0.00 A. Peak 2865 from cnoeabs.peaks (1.80, 1.45, 24.85 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.7-3.0 2.8=100 HB3 LYS 62 - HG3 LYS 58 far 0 65 0 - 5.9-15.5 HB3 LYS 60 - HG3 LYS 58 far 0 73 0 - 6.7-11.1 HB2 LYS 62 - HG3 LYS 58 far 0 68 0 - 7.1-16.3 HB2 ARG 61 - HG3 LYS 58 far 0 98 0 - 7.1-13.1 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (1.73, 1.45, 24.85 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.4-3.0 2.8=100 HB3 ARG 61 - HG3 LYS 58 far 0 100 0 - 5.8-13.4 HB2 ARG 56 - HG3 LYS 58 far 0 97 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (1.36, 1.45, 24.85 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 27 - HG3 LYS 58 far 0 68 0 - 9.0-13.8 Violated in 0 structures by 0.00 A. Peak 2868 from cnoeabs.peaks (1.45, 1.45, 24.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 58 + HG3 LYS 58 OK 100 100 - 100 Peak 2869 from cnoeabs.peaks (1.54, 1.45, 24.85 ppm; 2.75 A): 2 out of 2 assignments used, quality = 0.94: * HD2 LYS 58 + HG3 LYS 58 OK 81 100 90 91 2.3-3.0 3.0=81, 1.8/2878=30...(6) HD3 LYS 58 + HG3 LYS 58 OK 68 100 75 91 2.3-3.0 3.0=81, 1.8/2878=30...(6) Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (1.54, 1.45, 24.85 ppm; 2.75 A): 2 out of 2 assignments used, quality = 0.94: HD2 LYS 58 + HG3 LYS 58 OK 81 100 90 91 2.3-3.0 3.0=81, 1.8/2878=30...(6) * HD3 LYS 58 + HG3 LYS 58 OK 68 100 75 91 2.3-3.0 3.0=81, 1.8/2878=30...(6) Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (2.87, 1.45, 24.85 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 * HE2 LYS 58 + HG3 LYS 58 OK 90 100 90 100 2.5-4.2 3.9=100 HD3 ARG 56 - HG3 LYS 58 far 0 65 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (2.87, 1.45, 24.85 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 HE2 LYS 58 + HG3 LYS 58 OK 90 100 90 100 2.5-4.2 3.9=100 HD3 ARG 56 - HG3 LYS 58 far 0 65 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (7.68, 1.54, 29.10 ppm; 5.05 A): 2 out of 2 assignments used, quality = 1.00: H LYS 58 + HD3 LYS 58 OK 100 100 100 100 3.7-5.0 787/3.5=87, 789/3.0=84...(14) * H LYS 58 + HD2 LYS 58 OK 95 100 95 100 3.6-5.2 787/3.5=87, 789/3.0=84...(14) Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (4.11, 1.54, 29.10 ppm; 4.79 A increased from 4.51 A): 2 out of 4 assignments used, quality = 0.99: * HA LYS 58 + HD2 LYS 58 OK 95 100 95 100 2.2-4.9 5.1=83, 2827/3.0=80...(12) HA LYS 58 + HD3 LYS 58 OK 80 100 80 100 3.2-5.5 5.1=83, 2827/3.0=80...(12) HA ARG 56 - HD3 LYS 58 far 0 63 0 - 6.0-9.1 HA ARG 56 - HD2 LYS 58 far 0 63 0 - 6.6-9.2 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.80, 1.54, 29.10 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: HB2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.1-3.8 3.5=100 * HB2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.9 3.5=100 HB3 LYS 62 - HD3 LYS 58 far 0 65 0 - 7.5-16.8 HB2 ARG 61 - HD3 LYS 58 far 0 98 0 - 7.6-14.1 HB2 LYS 62 - HD3 LYS 58 far 0 68 0 - 7.7-17.5 HB2 ARG 61 - HD2 LYS 58 far 0 98 0 - 7.8-14.5 HB3 LYS 62 - HD2 LYS 58 far 0 65 0 - 8.2-16.7 HB3 LYS 60 - HD3 LYS 58 far 0 73 0 - 8.7-13.1 HB2 LYS 62 - HD2 LYS 58 far 0 68 0 - 8.7-17.1 HB3 LYS 60 - HD2 LYS 58 far 0 73 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.73, 1.54, 29.10 ppm; 3.74 A increased from 3.32 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LYS 58 + HD2 LYS 58 OK 95 100 95 100 2.4-4.1 3.5=100 HB3 LYS 58 + HD3 LYS 58 OK 85 100 85 100 2.3-4.2 3.5=100 HB3 ARG 61 - HD3 LYS 58 far 0 100 0 - 6.3-15.7 HB3 ARG 61 - HD2 LYS 58 far 0 100 0 - 7.3-15.3 HB2 ARG 56 - HD2 LYS 58 far 0 97 0 - 8.1-10.3 HB2 ARG 56 - HD3 LYS 58 far 0 97 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (1.36, 1.54, 29.10 ppm; 3.10 A increased from 2.75 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 27 - HD3 LYS 58 far 0 68 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (1.45, 1.54, 29.10 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: HG3 LYS 58 + HD3 LYS 58 OK 99 100 100 99 2.3-3.0 3.0=97, 2869/1.8=39...(6) * HG3 LYS 58 + HD2 LYS 58 OK 99 100 100 99 2.3-3.0 3.0=97, 2869/1.8=33...(6) HG3 ARG 56 - HD3 LYS 58 far 0 100 0 - 7.2-11.9 HG3 LYS 62 - HD3 LYS 58 far 0 81 0 - 7.9-19.3 HG2 LYS 60 - HD2 LYS 58 far 0 63 0 - 8.0-14.0 HG2 LYS 60 - HD3 LYS 58 far 0 63 0 - 8.2-14.3 HG3 ARG 56 - HD2 LYS 58 far 0 100 0 - 8.2-12.1 HG2 LYS 62 - HD3 LYS 58 far 0 81 0 - 8.6-19.1 HG3 LYS 62 - HD2 LYS 58 far 0 81 0 - 8.6-18.3 HG3 LYS 60 - HD3 LYS 58 far 0 65 0 - 8.9-13.7 HG2 LYS 62 - HD2 LYS 58 far 0 81 0 - 9.0-18.2 HG3 LYS 60 - HD2 LYS 58 far 0 65 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 * HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Peak 2880 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Reference assignment not found: HD3 LYS 58 - HD2 LYS 58 Peak 2881 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (7.68, 1.54, 29.10 ppm; 5.05 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 58 + HD3 LYS 58 OK 100 100 100 100 3.7-5.0 787/3.5=87, 789/3.0=84...(14) H LYS 58 + HD2 LYS 58 OK 95 100 95 100 3.6-5.2 787/3.5=87, 789/3.0=84...(14) Violated in 0 structures by 0.00 A. Peak 2884 from cnoeabs.peaks (4.11, 1.54, 29.10 ppm; 4.79 A increased from 4.51 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 58 + HD2 LYS 58 OK 95 100 95 100 2.2-4.9 5.1=83, 2827/3.0=80...(12) * HA LYS 58 + HD3 LYS 58 OK 80 100 80 100 3.2-5.5 5.1=83, 2827/3.0=80...(12) HA ARG 56 - HD3 LYS 58 far 0 63 0 - 6.0-9.1 HA ARG 56 - HD2 LYS 58 far 0 63 0 - 6.6-9.2 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (1.80, 1.54, 29.10 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.9 3.5=100 HB3 LYS 62 - HD3 LYS 58 far 0 65 0 - 7.5-16.8 HB2 ARG 61 - HD3 LYS 58 far 0 98 0 - 7.6-14.1 HB2 LYS 62 - HD3 LYS 58 far 0 68 0 - 7.7-17.5 HB2 ARG 61 - HD2 LYS 58 far 0 98 0 - 7.8-14.5 HB3 LYS 62 - HD2 LYS 58 far 0 65 0 - 8.2-16.7 HB3 LYS 60 - HD3 LYS 58 far 0 73 0 - 8.7-13.1 HB2 LYS 62 - HD2 LYS 58 far 0 68 0 - 8.7-17.1 HB3 LYS 60 - HD2 LYS 58 far 0 73 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 2886 from cnoeabs.peaks (1.73, 1.54, 29.10 ppm; 3.74 A increased from 3.32 A): 2 out of 6 assignments used, quality = 0.99: HB3 LYS 58 + HD2 LYS 58 OK 95 100 95 100 2.4-4.1 3.5=100 * HB3 LYS 58 + HD3 LYS 58 OK 85 100 85 100 2.3-4.2 3.5=100 HB3 ARG 61 - HD3 LYS 58 far 0 100 0 - 6.3-15.7 HB3 ARG 61 - HD2 LYS 58 far 0 100 0 - 7.3-15.3 HB2 ARG 56 - HD2 LYS 58 far 0 97 0 - 8.1-10.3 HB2 ARG 56 - HD3 LYS 58 far 0 97 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 2887 from cnoeabs.peaks (1.36, 1.54, 29.10 ppm; 3.10 A increased from 2.75 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 27 - HD3 LYS 58 far 0 68 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 2888 from cnoeabs.peaks (1.45, 1.54, 29.10 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 58 + HD3 LYS 58 OK 99 100 100 99 2.3-3.0 3.0=97, 2869/1.8=39...(6) HG3 LYS 58 + HD2 LYS 58 OK 99 100 100 99 2.3-3.0 3.0=97, 2869/1.8=33...(6) HG3 ARG 56 - HD3 LYS 58 far 0 100 0 - 7.2-11.9 HG3 LYS 62 - HD3 LYS 58 far 0 81 0 - 7.9-19.3 HG2 LYS 60 - HD2 LYS 58 far 0 63 0 - 8.0-14.0 HG2 LYS 60 - HD3 LYS 58 far 0 63 0 - 8.2-14.3 HG3 ARG 56 - HD2 LYS 58 far 0 100 0 - 8.2-12.1 HG2 LYS 62 - HD3 LYS 58 far 0 81 0 - 8.6-19.1 HG3 LYS 62 - HD2 LYS 58 far 0 81 0 - 8.6-18.3 HG3 LYS 60 - HD3 LYS 58 far 0 65 0 - 8.9-13.7 HG2 LYS 62 - HD2 LYS 58 far 0 81 0 - 9.0-18.2 HG3 LYS 60 - HD2 LYS 58 far 0 65 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 2889 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Reference assignment not found: HD2 LYS 58 - HD3 LYS 58 Peak 2890 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Peak 2891 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 2892 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (1.36, 2.87, 41.78 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 * HG2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 2898 from cnoeabs.peaks (1.45, 2.87, 41.78 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: HG3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 * HG3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.5-4.2 3.9=100 HG2 LYS 60 - HE3 LYS 58 far 0 63 0 - 6.0-14.8 HG2 LYS 60 - HE2 LYS 58 far 0 63 0 - 6.2-15.1 HG3 LYS 62 - HE2 LYS 58 far 0 81 0 - 6.4-19.7 HG3 LYS 62 - HE3 LYS 58 far 0 81 0 - 6.7-19.1 HG3 LYS 60 - HE3 LYS 58 far 0 65 0 - 7.3-14.6 HG3 LYS 60 - HE2 LYS 58 far 0 65 0 - 7.6-14.9 HG2 LYS 62 - HE2 LYS 58 far 0 81 0 - 7.6-20.4 HG3 ARG 56 - HE2 LYS 58 far 0 100 0 - 8.0-12.9 HG2 LYS 62 - HE3 LYS 58 far 0 81 0 - 8.2-19.4 HG3 ARG 56 - HE3 LYS 58 far 0 100 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2901 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 * HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Peak 2902 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Reference assignment not found: HE3 LYS 58 - HE2 LYS 58 Peak 2907 from cnoeabs.peaks (1.36, 2.87, 41.78 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 HG2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 2908 from cnoeabs.peaks (1.45, 2.87, 41.78 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 HG3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.5-4.2 3.9=100 HG2 LYS 60 - HE3 LYS 58 far 0 63 0 - 6.0-14.8 HG2 LYS 60 - HE2 LYS 58 far 0 63 0 - 6.2-15.1 HG3 LYS 62 - HE2 LYS 58 far 0 81 0 - 6.4-19.7 HG3 LYS 62 - HE3 LYS 58 far 0 81 0 - 6.7-19.1 HG3 LYS 60 - HE3 LYS 58 far 0 65 0 - 7.3-14.6 HG3 LYS 60 - HE2 LYS 58 far 0 65 0 - 7.6-14.9 HG2 LYS 62 - HE2 LYS 58 far 0 81 0 - 7.6-20.4 HG3 ARG 56 - HE2 LYS 58 far 0 100 0 - 8.0-12.9 HG2 LYS 62 - HE3 LYS 58 far 0 81 0 - 8.2-19.4 HG3 ARG 56 - HE3 LYS 58 far 0 100 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 2909 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Reference assignment not found: HE2 LYS 58 - HE3 LYS 58 Peak 2912 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Peak 2913 from cnoeabs.peaks (7.72, 4.26, 62.83 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H THR 59 + HA THR 59 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 56 - HA THR 59 far 0 78 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 2914 from cnoeabs.peaks (4.26, 4.26, 62.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 59 + HA THR 59 OK 100 100 - 100 Peak 2915 from cnoeabs.peaks (4.28, 4.26, 62.83 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HA THR 59 + HA THR 59 OK 81 81 - 100 Reference assignment not found: HB THR 59 - HA THR 59 Peak 2916 from cnoeabs.peaks (1.29, 4.26, 62.83 ppm; 3.30 A increased from 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + HA THR 59 OK 100 100 100 100 2.0-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (7.72, 4.28, 69.66 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + HB THR 59 OK 100 100 100 100 2.4-3.7 4.0=100 H ARG 56 - HB THR 59 far 0 78 0 - 4.8-7.0 QD PHE 52 - HB THR 59 far 0 78 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (4.26, 4.28, 69.66 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB THR 59 + HB THR 59 OK 81 81 - 100 Reference assignment not found: HA THR 59 - HB THR 59 Peak 2919 from cnoeabs.peaks (4.28, 4.28, 69.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 59 + HB THR 59 OK 100 100 - 100 Peak 2920 from cnoeabs.peaks (1.29, 4.28, 69.66 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + HB THR 59 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (7.72, 1.29, 21.73 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + QG2 THR 59 OK 100 100 100 100 2.3-3.8 4.0=100 H ARG 56 - QG2 THR 59 far 4 78 5 - 4.0-6.1 QD PHE 52 - QG2 THR 59 far 0 78 0 - 6.8-8.7 Violated in 0 structures by 0.00 A. Peak 2922 from cnoeabs.peaks (4.26, 1.29, 21.73 ppm; 2.96 A): 2 out of 5 assignments used, quality = 0.93: HB THR 59 + QG2 THR 59 OK 81 81 100 100 2.1-2.1 2.1=100 * HA THR 59 + QG2 THR 59 OK 63 100 70 90 2.0-3.2 3.2=79, 3.0/797=37...(5) HA ARG 61 - QG2 THR 59 far 0 87 0 - 3.6-8.0 HA LYS 62 - QG2 THR 59 far 0 100 0 - 3.8-10.8 HA LYS 60 - QG2 THR 59 far 0 100 0 - 4.0-5.4 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (4.28, 1.29, 21.73 ppm; 2.80 A): 2 out of 4 assignments used, quality = 1.00: * HB THR 59 + QG2 THR 59 OK 100 100 100 100 2.1-2.1 2.1=100 HA THR 59 + QG2 THR 59 OK 46 81 70 82 2.0-3.2 3.2=66, 3.0/797=32...(5) HA LYS 62 - QG2 THR 59 far 0 76 0 - 3.8-10.8 HA LYS 60 - QG2 THR 59 far 0 87 0 - 4.0-5.4 Violated in 0 structures by 0.00 A. Peak 2924 from cnoeabs.peaks (1.29, 1.29, 21.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 59 + QG2 THR 59 OK 100 100 - 100 QG2 THR 44 + QG2 THR 44 OK 83 83 - 100 Peak 2925 from cnoeabs.peaks (7.98, 4.26, 56.50 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 60 + HA LYS 60 OK 100 100 100 100 2.3-2.9 3.0=100 H LYS 60 - HA LYS 62 far 0 98 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 2926 from cnoeabs.peaks (4.26, 4.26, 56.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 60 + HA LYS 60 OK 100 100 - 100 HA LYS 62 + HA LYS 62 OK 97 97 - 100 Peak 2927 from cnoeabs.peaks (1.83, 4.26, 56.50 ppm; 3.15 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 60 + HA LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 62 + HA LYS 62 OK 96 96 100 100 2.4-3.0 3.0=100 HB2 LYS 62 - HA LYS 60 far 0 99 0 - 4.0-9.3 HB2 ARG 61 - HA LYS 62 far 0 69 0 - 4.2-5.9 HB2 ARG 61 - HA LYS 60 far 0 73 0 - 4.2-6.2 HB2 LYS 60 - HA LYS 62 far 0 98 0 - 4.9-9.6 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (1.78, 4.26, 56.50 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 60 + HA LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 62 + HA LYS 62 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LYS 62 - HA LYS 60 far 0 100 0 - 4.8-8.8 HB3 LYS 60 - HA LYS 62 far 0 98 0 - 5.3-8.8 HB2 LYS 58 - HA LYS 60 far 0 73 0 - 6.5-8.4 HB2 LYS 58 - HA LYS 62 far 0 69 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 2929 from cnoeabs.peaks (1.43, 4.26, 56.50 ppm; 3.79 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 60 + HA LYS 60 OK 99 100 100 99 2.1-3.8 3.9=95, 3.0/3073=27...(21) HG3 LYS 60 + HA LYS 60 OK 99 100 100 99 2.3-3.8 3.9=95, 3.0/3073=27...(21) HG3 LYS 62 + HA LYS 62 OK 96 96 100 100 2.2-3.8 3.8=96, 4.8/334=38...(17) HG2 LYS 62 + HA LYS 62 OK 86 96 90 100 2.3-4.2 3.8=96, 4.8/334=38...(17) HG2 LYS 62 - HA LYS 60 far 5 99 5 - 2.7-10.3 HG3 LYS 62 - HA LYS 60 far 5 99 5 - 3.5-9.8 HG2 LYS 60 - HA LYS 62 far 0 98 0 - 4.2-9.3 HG3 LYS 60 - HA LYS 62 far 0 98 0 - 4.3-9.2 HG3 ARG 56 - HA LYS 62 far 0 61 0 - 7.5-15.9 HG3 LYS 58 - HA LYS 60 far 0 63 0 - 7.9-9.9 HG3 ARG 56 - HA LYS 60 far 0 65 0 - 8.1-11.5 HB2 LYS 27 - HA LYS 62 far 0 95 0 - 8.8-17.0 HG3 LYS 58 - HA LYS 62 far 0 59 0 - 8.9-15.8 HB2 LYS 27 - HA LYS 60 far 0 99 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2930 from cnoeabs.peaks (1.43, 4.26, 56.50 ppm; 3.79 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 60 + HA LYS 60 OK 99 100 100 99 2.3-3.8 3.9=95, 3.0/3073=27...(21) HG2 LYS 60 + HA LYS 60 OK 99 100 100 99 2.1-3.8 3.9=95, 3.0/3073=27...(21) HG3 LYS 62 + HA LYS 62 OK 96 96 100 100 2.2-3.8 3.8=96, 4.8/334=38...(17) HG2 LYS 62 + HA LYS 62 OK 87 96 90 100 2.3-4.2 3.8=96, 4.8/334=38...(17) HG2 LYS 62 - HA LYS 60 far 5 99 5 - 2.7-10.3 HG3 LYS 62 - HA LYS 60 far 5 99 5 - 3.5-9.8 HG2 LYS 60 - HA LYS 62 far 0 98 0 - 4.2-9.3 HG3 LYS 60 - HA LYS 62 far 0 98 0 - 4.3-9.2 HG3 ARG 56 - HA LYS 62 far 0 64 0 - 7.5-15.9 HG3 LYS 58 - HA LYS 60 far 0 65 0 - 7.9-9.9 HG3 ARG 56 - HA LYS 60 far 0 68 0 - 8.1-11.5 HB2 LYS 27 - HA LYS 62 far 0 95 0 - 8.8-17.0 HG3 LYS 58 - HA LYS 62 far 0 61 0 - 8.9-15.8 HB2 LYS 27 - HA LYS 60 far 0 98 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (1.67, 4.26, 56.50 ppm; 4.82 A increased from 3.85 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 97 98 100 100 2.2-4.8 5.0=90, ~819=39...(16) HD3 LYS 60 + HA LYS 60 OK 95 100 95 100 2.5-5.5 5.2=79, ~2978=32...(29) HD2 LYS 62 + HA LYS 62 OK 88 98 90 100 2.1-5.5 5.0=90, ~819=39...(13) * HD2 LYS 60 + HA LYS 60 OK 75 100 75 100 2.2-5.5 5.2=79, 2978/3.0=45...(29) HD2 LYS 62 - HA LYS 60 far 10 100 10 - 4.2-10.6 HD3 LYS 60 - HA LYS 62 far 0 98 0 - 5.2-10.0 HD3 LYS 62 - HA LYS 60 far 0 100 0 - 5.4-11.5 HD2 LYS 60 - HA LYS 62 far 0 98 0 - 5.6-10.5 HB2 LEU 64 - HA LYS 62 far 0 93 0 - 6.2-9.0 HB2 LEU 64 - HA LYS 60 far 0 97 0 - 8.5-15.0 Violated in 0 structures by 0.00 A. Peak 2932 from cnoeabs.peaks (1.67, 4.26, 56.50 ppm; 4.73 A increased from 3.98 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 97 98 100 100 2.2-4.8 5.0=85, ~819=37...(16) HD2 LYS 62 + HA LYS 62 OK 87 98 90 99 2.1-5.5 5.0=85, ~819=37...(13) * HD3 LYS 60 + HA LYS 60 OK 85 100 85 100 2.5-5.5 5.2=75, ~2978=31...(29) HD2 LYS 60 + HA LYS 60 OK 75 100 75 100 2.2-5.5 5.2=75, 2978/3.0=44...(29) HD2 LYS 62 - HA LYS 60 far 10 100 10 - 4.2-10.6 HD3 LYS 60 - HA LYS 62 far 0 98 0 - 5.2-10.0 HD3 LYS 62 - HA LYS 60 far 0 100 0 - 5.4-11.5 HD2 LYS 60 - HA LYS 62 far 0 98 0 - 5.6-10.5 HB2 LEU 64 - HA LYS 62 far 0 95 0 - 6.2-9.0 HB2 LEU 64 - HA LYS 60 far 0 98 0 - 8.5-15.0 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (7.98, 1.83, 32.76 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.5-4.0 3.8=100 H LYS 60 - HB2 LYS 62 far 0 96 0 - 5.4-11.0 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (4.26, 1.83, 32.76 ppm; 3.34 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 62 + HB2 LYS 62 OK 95 95 100 100 2.4-3.0 3.0=100 HB THR 59 - HB2 LYS 60 far 0 87 0 - 3.5-7.6 HA LYS 60 - HB2 LYS 62 far 0 96 0 - 4.0-9.3 HA ARG 61 - HB2 LYS 60 far 0 81 0 - 4.1-5.9 HA THR 59 - HB2 LYS 60 far 0 100 0 - 4.2-6.2 HB THR 59 - HB2 LYS 62 far 0 80 0 - 4.4-12.8 HA ARG 61 - HB2 LYS 62 far 0 74 0 - 4.5-6.5 HA LYS 62 - HB2 LYS 60 far 0 100 0 - 4.9-9.6 HA THR 59 - HB2 LYS 62 far 0 96 0 - 5.0-13.4 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (1.78, 1.83, 32.76 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 62 + HB2 LYS 62 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 LYS 62 - HB2 LYS 60 far 0 100 0 - 3.1-10.5 HB3 LYS 60 - HB2 LYS 62 far 0 96 0 - 4.2-10.3 HB2 LYS 58 - HB2 LYS 62 far 0 67 0 - 6.7-15.6 HB2 LYS 58 - HB2 LYS 60 far 0 73 0 - 6.9-9.9 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (1.43, 1.83, 32.76 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 62 + HB2 LYS 62 OK 94 94 100 100 2.3-3.0 2.9=100 HG3 LYS 62 + HB2 LYS 62 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 60 - HB2 LYS 62 far 10 96 10 - 2.9-10.4 HG3 LYS 60 - HB2 LYS 62 far 5 96 5 - 3.1-10.5 HG2 LYS 62 - HB2 LYS 60 far 0 99 0 - 3.5-11.0 HG3 LYS 62 - HB2 LYS 60 far 0 99 0 - 3.5-10.9 HG3 ARG 56 - HB2 LYS 62 far 0 59 0 - 6.9-17.2 HG3 LYS 58 - HB2 LYS 62 far 0 57 0 - 7.1-16.3 HG3 LYS 58 - HB2 LYS 60 far 0 63 0 - 7.3-11.5 HG3 ARG 56 - HB2 LYS 60 far 0 65 0 - 8.6-13.0 HB2 LYS 27 - HB2 LYS 62 far 0 93 0 - 8.7-18.5 HB2 LYS 27 - HB2 LYS 60 far 0 99 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (1.43, 1.83, 32.76 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 62 + HB2 LYS 62 OK 95 95 100 100 2.3-3.0 2.9=100 HG3 LYS 62 + HB2 LYS 62 OK 95 95 100 100 2.3-3.0 2.9=100 HG2 LYS 60 - HB2 LYS 62 far 10 96 10 - 2.9-10.4 HG3 LYS 60 - HB2 LYS 62 far 5 96 5 - 3.1-10.5 HG2 LYS 62 - HB2 LYS 60 far 0 99 0 - 3.5-11.0 HG3 LYS 62 - HB2 LYS 60 far 0 99 0 - 3.5-10.9 HG3 ARG 56 - HB2 LYS 62 far 0 62 0 - 6.9-17.2 HG3 LYS 58 - HB2 LYS 62 far 0 59 0 - 7.1-16.3 HG3 LYS 58 - HB2 LYS 60 far 0 65 0 - 7.3-11.5 HG3 ARG 56 - HB2 LYS 60 far 0 68 0 - 8.6-13.0 HB2 LYS 27 - HB2 LYS 62 far 0 93 0 - 8.7-18.5 HB2 LYS 27 - HB2 LYS 60 far 0 98 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 2941 from cnoeabs.peaks (1.67, 1.83, 32.76 ppm; 3.71 A): 4 out of 10 assignments used, quality = 1.00: HD2 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.3-3.7 3.4=100 * HD2 LYS 60 + HB2 LYS 60 OK 95 100 95 100 2.5-4.2 3.7=100 HD3 LYS 62 + HB2 LYS 62 OK 91 96 95 100 2.1-3.9 3.4=100 HD3 LYS 60 + HB2 LYS 60 OK 85 100 85 100 2.1-4.2 3.7=100 HD3 LYS 60 - HB2 LYS 62 far 0 96 0 - 4.1-11.0 HD2 LYS 60 - HB2 LYS 62 far 0 96 0 - 4.7-11.2 HD2 LYS 62 - HB2 LYS 60 far 0 100 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 62 far 0 91 0 - 5.7-10.3 HD3 LYS 62 - HB2 LYS 60 far 0 100 0 - 5.8-12.0 HB2 LEU 64 - HB2 LYS 60 far 0 97 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 2942 from cnoeabs.peaks (1.67, 1.83, 32.76 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: HD2 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.3-3.7 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 87 96 90 100 2.1-3.9 3.4=100 HD2 LYS 60 + HB2 LYS 60 OK 85 100 85 100 2.5-4.2 3.7=95, 2978/1.8=44...(57) * HD3 LYS 60 + HB2 LYS 60 OK 75 100 75 100 2.1-4.2 3.7=95, ~2978=29...(57) HD3 LYS 60 - HB2 LYS 62 far 0 96 0 - 4.1-11.0 HD2 LYS 60 - HB2 LYS 62 far 0 96 0 - 4.7-11.2 HD2 LYS 62 - HB2 LYS 60 far 0 100 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 62 far 0 93 0 - 5.7-10.3 HD3 LYS 62 - HB2 LYS 60 far 0 100 0 - 5.8-12.0 HB2 LEU 64 - HB2 LYS 60 far 0 98 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (7.98, 1.78, 32.76 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.2-3.9 3.8=100 H LYS 60 - HB3 LYS 62 far 0 99 0 - 6.0-10.1 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (4.26, 1.78, 32.76 ppm; 3.24 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.3-3.0 3.0=100 HB THR 59 - HB3 LYS 60 far 4 87 5 - 3.2-6.7 HA ARG 61 - HB3 LYS 62 far 0 79 0 - 4.1-6.2 HA ARG 61 - HB3 LYS 60 far 0 81 0 - 4.2-6.0 HA THR 59 - HB3 LYS 60 far 0 100 0 - 4.3-5.2 HB THR 59 - HB3 LYS 62 far 0 85 0 - 4.4-12.3 HA LYS 60 - HB3 LYS 62 far 0 99 0 - 4.8-8.8 HA LYS 62 - HB3 LYS 60 far 0 100 0 - 5.3-8.8 HA THR 59 - HB3 LYS 62 far 0 99 0 - 6.1-12.3 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.83, 1.78, 32.76 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 62 + HB3 LYS 62 OK 98 98 100 100 1.8-1.8 1.8=100 HB2 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.1-10.5 HB2 ARG 61 - HB3 LYS 62 far 0 71 0 - 3.7-7.2 HB2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.2-10.3 HB2 ARG 61 - HB3 LYS 60 far 0 73 0 - 4.6-7.5 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (1.78, 1.78, 32.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 60 + HB3 LYS 60 OK 100 100 - 100 HB3 LYS 62 + HB3 LYS 62 OK 99 99 - 100 Peak 2949 from cnoeabs.peaks (1.43, 1.78, 32.76 ppm; 3.18 A): 4 out of 13 assignments used, quality = 1.00: * HG2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.1-9.5 HG3 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.9-10.7 HG3 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.6-10.0 HG2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.9-10.5 HG3 LYS 58 - HB3 LYS 62 far 0 61 0 - 5.9-15.5 HG3 LYS 58 - HB3 LYS 60 far 0 63 0 - 6.7-11.1 HG3 ARG 56 - HB3 LYS 62 far 0 64 0 - 7.2-17.1 HB2 LYS 27 - HB3 LYS 62 far 0 97 0 - 7.7-19.0 HG3 ARG 56 - HB3 LYS 60 far 0 65 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 2950 from cnoeabs.peaks (1.43, 1.78, 32.76 ppm; 3.18 A): 4 out of 13 assignments used, quality = 1.00: * HG3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.1-9.5 HG3 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.9-10.7 HG3 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.6-10.0 HG2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.9-10.5 HG3 LYS 58 - HB3 LYS 62 far 0 64 0 - 5.9-15.5 HG3 LYS 58 - HB3 LYS 60 far 0 65 0 - 6.7-11.1 HG3 ARG 56 - HB3 LYS 62 far 0 66 0 - 7.2-17.1 HB2 LYS 27 - HB3 LYS 62 far 0 97 0 - 7.7-19.0 HG3 ARG 56 - HB3 LYS 60 far 0 68 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 2951 from cnoeabs.peaks (1.67, 1.78, 32.76 ppm; 3.67 A increased from 3.26 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.7 3.7=98, 1.8/2978=44...(53) HD3 LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.5-3.8 3.4=100 * HD2 LYS 60 + HB3 LYS 60 OK 90 100 90 100 2.1-4.1 3.7=98, 1.8/2988=26...(53) HD2 LYS 62 + HB3 LYS 62 OK 60 99 60 100 2.2-4.1 3.4=100 HD2 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.8-11.1 HD3 LYS 60 - HB3 LYS 62 far 0 99 0 - 4.1-10.4 HD3 LYS 62 - HB3 LYS 60 far 0 100 0 - 5.6-11.8 HB2 LEU 64 - HB3 LYS 62 far 0 95 0 - 6.3-10.5 HD2 LYS 62 - HB3 LYS 60 far 0 100 0 - 6.6-11.0 HB2 LEU 64 - HB3 LYS 60 far 0 97 0 - 8.6-16.9 Violated in 0 structures by 0.00 A. Peak 2952 from cnoeabs.peaks (1.67, 1.78, 32.76 ppm; 3.68 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.7 3.7=98, 1.8/2978=44...(53) HD3 LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.5-3.8 3.4=100 HD2 LYS 60 + HB3 LYS 60 OK 90 100 90 100 2.1-4.1 3.7=98, 1.8/2988=26...(53) HD2 LYS 62 + HB3 LYS 62 OK 60 99 60 100 2.2-4.1 3.4=100 HD2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.8-11.1 HD3 LYS 60 - HB3 LYS 62 far 0 99 0 - 4.1-10.4 HD3 LYS 62 - HB3 LYS 60 far 0 100 0 - 5.6-11.8 HB2 LEU 64 - HB3 LYS 62 far 0 97 0 - 6.3-10.5 HD2 LYS 62 - HB3 LYS 60 far 0 100 0 - 6.6-11.0 HB2 LEU 64 - HB3 LYS 60 far 0 98 0 - 8.6-16.9 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (7.98, 1.43, 24.66 ppm; 5.08 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.0-4.8 4.9=100 H LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-4.8 4.9=100 H LYS 60 - HG2 LYS 62 far 8 79 10 - 4.8-11.3 H HIS 36 - HG2 LYS 39 far 5 91 5 - 4.8-6.4 H LYS 60 - HG3 LYS 62 far 0 79 0 - 5.6-10.8 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (4.26, 1.43, 24.66 ppm; 3.91 A): 4 out of 20 assignments used, quality = 1.00: * HA LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.1-3.8 3.9=100 HA LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.8 3.9=100 HA LYS 62 + HG3 LYS 62 OK 78 78 100 100 2.2-3.8 3.8=100 HA LYS 62 + HG2 LYS 62 OK 70 78 90 100 2.3-4.2 3.8=100 HA THR 59 - HG3 LYS 60 far 10 100 10 - 3.6-7.5 HA ARG 61 - HG2 LYS 60 far 8 81 10 - 3.8-6.7 HA LYS 60 - HG3 LYS 62 far 8 79 10 - 3.5-9.8 HA ARG 61 - HG3 LYS 60 poor 7 80 25 36 3.2-6.9 ~318=25, ~317=9, ~810=6 HA ARG 61 - HG3 LYS 62 far 6 57 10 - 3.3-7.3 HA THR 59 - HG2 LYS 60 far 5 100 5 - 3.6-7.0 HB THR 59 - HG2 LYS 60 far 4 87 5 - 2.7-8.3 HB THR 59 - HG3 LYS 60 far 4 87 5 - 3.3-8.6 HA LYS 60 - HG2 LYS 62 far 4 79 5 - 2.7-10.3 HB THR 59 - HG2 LYS 62 far 3 62 5 - 2.7-11.5 HB THR 59 - HG3 LYS 62 far 3 62 5 - 3.1-12.4 HA ARG 61 - HG2 LYS 62 far 3 57 5 - 3.8-7.8 HA LYS 62 - HG2 LYS 60 far 0 100 0 - 4.2-9.3 HA LYS 62 - HG3 LYS 60 far 0 100 0 - 4.3-9.2 HA THR 59 - HG3 LYS 62 far 0 79 0 - 4.9-13.2 HA THR 59 - HG2 LYS 62 far 0 79 0 - 5.0-13.4 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.83, 1.43, 24.66 ppm; 3.61 A): 4 out of 14 assignments used, quality = 1.00: * HB2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 62 + HG2 LYS 62 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 62 + HG3 LYS 62 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 62 - HG2 LYS 60 far 10 99 10 - 2.9-10.4 HB2 LYS 62 - HG3 LYS 60 far 5 99 5 - 3.1-10.5 HB2 LYS 60 - HG2 LYS 62 far 4 79 5 - 3.5-11.0 HB2 LYS 60 - HG3 LYS 62 far 4 79 5 - 3.5-10.9 HB2 ARG 61 - HG3 LYS 60 far 0 73 0 - 3.7-8.9 HB2 ARG 61 - HG2 LYS 60 far 0 73 0 - 4.2-7.8 HB2 ARG 61 - HG2 LYS 62 far 0 51 0 - 4.4-8.2 HB2 ARG 61 - HG3 LYS 62 far 0 51 0 - 4.7-7.4 HD2 LYS 22 - HG2 LYS 39 far 0 80 0 - 9.6-12.4 HB3 ARG 34 - HG2 LYS 39 far 0 64 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 2958 from cnoeabs.peaks (1.78, 1.43, 24.66 ppm; 3.82 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.3-3.0 2.9=100 HB3 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.3-3.0 2.9=100 HB3 LYS 62 - HG2 LYS 60 far 10 100 10 - 3.1-9.5 HB3 LYS 62 - HG3 LYS 60 far 5 100 5 - 3.9-10.7 HB3 LYS 60 - HG3 LYS 62 far 0 79 0 - 4.6-10.0 HB3 LYS 60 - HG2 LYS 62 far 0 79 0 - 4.9-10.5 HB2 LYS 58 - HG2 LYS 60 far 0 73 0 - 5.8-11.1 HB2 LYS 58 - HG3 LYS 60 far 0 73 0 - 5.9-10.7 HB2 LYS 58 - HG3 LYS 62 far 0 51 0 - 6.6-16.2 HB2 LYS 58 - HG2 LYS 62 far 0 51 0 - 7.1-17.1 HB2 PRO 32 - HG2 LYS 39 far 0 77 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2959 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 93 93 - 100 HG3 LYS 62 + HG3 LYS 62 OK 77 77 - 100 HG2 LYS 62 + HG2 LYS 62 OK 77 77 - 100 Peak 2960 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 93 93 - 100 HG3 LYS 62 + HG3 LYS 62 OK 77 77 - 100 HG2 LYS 62 + HG2 LYS 62 OK 77 77 - 100 Reference assignment not found: HG3 LYS 60 - HG2 LYS 60 Peak 2961 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 2.89 A): 10 out of 24 assignments used, quality = 1.00: HD3 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.3-3.0 2.9=95, 2988/3.0=14...(62) HD2 LYS 60 + HG3 LYS 60 OK 80 100 80 100 2.3-3.0 2.9=95, 2978/3.0=23...(62) * HD2 LYS 60 + HG2 LYS 60 OK 75 100 75 100 2.5-3.0 2.9=95, 2978/3.0=23...(62) HD2 LYS 62 + HG3 LYS 62 OK 74 79 95 98 2.3-3.0 3.0=92, 3134/2.9=14...(36) HD3 LYS 60 + HG3 LYS 60 OK 70 100 70 100 2.5-3.0 2.9=95, 2988/3.0=14...(62) HD3 LYS 62 + HG2 LYS 62 OK 66 79 85 98 2.3-3.0 3.0=92, 3.0/3000=7...(39) HD3 LYS 39 + HG2 LYS 39 OK 64 68 95 99 2.4-3.0 3.0=94, ~2050=25...(30) HD2 LYS 39 + HG2 LYS 39 OK 54 68 80 99 2.4-3.0 3.0=94, 2050/1.8=32...(30) HD3 LYS 62 + HG3 LYS 62 OK 35 79 45 98 2.5-3.0 3.0=92, 1.8/2990=12...(39) HD2 LYS 62 + HG2 LYS 62 OK 35 79 45 98 2.5-3.0 3.0=92, 3134/2.9=14...(36) HD2 LYS 60 - HG3 LYS 62 far 0 79 0 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 100 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 79 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 73 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 73 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 86 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 79 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 90 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 96 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 97 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 2962 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 2.89 A): 10 out of 24 assignments used, quality = 1.00: * HD3 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.3-3.0 2.9=95, 3134/3.0=14...(62) HD2 LYS 60 + HG3 LYS 60 OK 80 100 80 100 2.3-3.0 2.9=95, 2978/3.0=23...(62) HD2 LYS 62 + HG3 LYS 62 OK 74 79 95 98 2.3-3.0 3.0=92, 3134/2.9=14...(36) HD3 LYS 60 + HG3 LYS 60 OK 70 100 70 100 2.5-3.0 2.9=95, 3134/3.0=14...(62) HD2 LYS 60 + HG2 LYS 60 OK 70 100 70 100 2.5-3.0 2.9=95, 2978/3.0=23...(62) HD3 LYS 62 + HG2 LYS 62 OK 66 79 85 98 2.3-3.0 3.0=92, 3.0/3000=7...(39) HD3 LYS 39 + HG2 LYS 39 OK 60 64 95 99 2.4-3.0 3.0=94, ~2050=25...(30) HD2 LYS 39 + HG2 LYS 39 OK 50 64 80 99 2.4-3.0 3.0=94, 2050/1.8=29...(30) HD3 LYS 62 + HG3 LYS 62 OK 35 79 45 98 2.5-3.0 3.0=92, 1.8/2990=12...(39) HD2 LYS 62 + HG2 LYS 62 OK 35 79 45 98 2.5-3.0 3.0=92, 3134/2.9=14...(36) HD2 LYS 60 - HG3 LYS 62 far 0 79 0 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 100 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 79 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 75 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 75 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 89 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 79 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 92 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 98 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 98 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 2963 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.68 A): 10 out of 18 assignments used, quality = 1.00: HE3 LYS 60 + HG3 LYS 60 OK 95 100 95 100 2.1-3.8 3.9=82, ~2978=11...(58) HE2 LYS 60 + HG3 LYS 60 OK 90 100 90 100 2.4-4.2 3.9=82, ~2978=11...(58) HE3 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.3-4.2 3.9=82, 3.0/2979=11...(58) * HE2 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.5-4.1 3.9=82, 3.0/2979=11...(58) HE3 LYS 39 + HG2 LYS 39 OK 79 93 85 100 2.2-4.2 3.6=100 HE2 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.2-3.8 3.7=95, 3.0/2990=11...(39) HE3 LYS 62 + HG3 LYS 62 OK 74 78 95 100 2.3-4.2 3.7=95, 3011/3.0=13...(39) HE3 LYS 62 + HG2 LYS 62 OK 74 78 95 100 2.1-3.8 3.7=95, 1.8/3000=15...(39) HE2 LYS 62 + HG3 LYS 62 OK 71 79 90 100 2.4-3.9 3.7=95, 3156/1.8=15...(39) HE2 LYS 39 + HG2 LYS 39 OK 56 93 60 100 2.1-4.2 3.6=100 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 79 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 79 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 79 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.68 A): 10 out of 18 assignments used, quality = 1.00: HE3 LYS 60 + HG3 LYS 60 OK 95 100 95 100 2.1-3.8 3.9=82, ~2978=11...(58) HE2 LYS 60 + HG3 LYS 60 OK 90 100 90 100 2.4-4.2 3.9=82, ~2978=11...(58) * HE3 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.3-4.2 3.9=82, 3.0/2979=11...(58) HE2 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.5-4.1 3.9=82, 3.0/2979=11...(58) HE3 LYS 39 + HG2 LYS 39 OK 79 93 85 100 2.2-4.2 3.6=100 HE2 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.2-3.8 3.7=95, 3.0/2990=11...(39) HE3 LYS 62 + HG3 LYS 62 OK 75 79 95 100 2.3-4.2 3.7=95, 3011/3.0=13...(39) HE3 LYS 62 + HG2 LYS 62 OK 75 79 95 100 2.1-3.8 3.7=95, 1.8/3000=15...(39) HE2 LYS 62 + HG3 LYS 62 OK 71 79 90 100 2.4-3.9 3.7=95, 3156/1.8=15...(39) HE2 LYS 39 + HG2 LYS 39 OK 56 93 60 100 2.1-4.2 3.6=100 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 79 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 79 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 79 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (7.98, 1.43, 24.66 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-4.8 4.9=100 H LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.0-4.8 4.9=100 H LYS 60 - HG2 LYS 62 far 8 81 10 - 4.8-11.3 H HIS 36 - HG2 LYS 39 far 5 92 5 - 4.8-6.4 H LYS 60 - HG3 LYS 62 far 0 81 0 - 5.6-10.8 Violated in 0 structures by 0.00 A. Peak 2966 from cnoeabs.peaks (4.26, 1.43, 24.66 ppm; 3.95 A): 4 out of 20 assignments used, quality = 1.00: * HA LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.8 3.9=100 HA LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.1-3.8 3.9=100 HA LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.2-3.8 3.8=100 HA LYS 62 + HG2 LYS 62 OK 71 79 90 100 2.3-4.2 3.8=100 HA ARG 61 - HG2 LYS 60 far 12 80 15 - 3.8-6.7 HA THR 59 - HG3 LYS 60 far 10 100 10 - 3.6-7.5 HA LYS 60 - HG3 LYS 62 far 8 81 10 - 3.5-9.8 HA ARG 61 - HG3 LYS 60 poor 7 81 25 37 3.2-6.9 ~318=26, ~317=9, ~810=6 HA ARG 61 - HG3 LYS 62 far 6 58 10 - 3.3-7.3 HA THR 59 - HG2 LYS 60 far 5 100 5 - 3.6-7.0 HB THR 59 - HG2 LYS 60 far 4 87 5 - 2.7-8.3 HB THR 59 - HG3 LYS 60 far 4 87 5 - 3.3-8.6 HA LYS 60 - HG2 LYS 62 far 4 81 5 - 2.7-10.3 HB THR 59 - HG2 LYS 62 far 3 64 5 - 2.7-11.5 HB THR 59 - HG3 LYS 62 far 3 64 5 - 3.1-12.4 HA ARG 61 - HG2 LYS 62 far 3 58 5 - 3.8-7.8 HA LYS 62 - HG2 LYS 60 far 0 100 0 - 4.2-9.3 HA LYS 62 - HG3 LYS 60 far 0 100 0 - 4.3-9.2 HA THR 59 - HG3 LYS 62 far 0 80 0 - 4.9-13.2 HA THR 59 - HG2 LYS 62 far 0 80 0 - 5.0-13.4 Violated in 0 structures by 0.00 A. Peak 2967 from cnoeabs.peaks (1.83, 1.43, 24.66 ppm; 3.61 A): 4 out of 14 assignments used, quality = 1.00: * HB2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 62 + HG2 LYS 62 OK 78 78 100 100 2.3-3.0 2.9=100 HB2 LYS 62 + HG3 LYS 62 OK 78 78 100 100 2.3-3.0 2.9=100 HB2 LYS 62 - HG2 LYS 60 far 10 99 10 - 2.9-10.4 HB2 LYS 62 - HG3 LYS 60 far 5 99 5 - 3.1-10.5 HB2 LYS 60 - HG2 LYS 62 far 4 81 5 - 3.5-11.0 HB2 LYS 60 - HG3 LYS 62 far 4 81 5 - 3.5-10.9 HB2 ARG 61 - HG3 LYS 60 far 0 73 0 - 3.7-8.9 HB2 ARG 61 - HG2 LYS 60 far 0 73 0 - 4.2-7.8 HB2 ARG 61 - HG2 LYS 62 far 0 52 0 - 4.4-8.2 HB2 ARG 61 - HG3 LYS 62 far 0 52 0 - 4.7-7.4 HD2 LYS 22 - HG2 LYS 39 far 0 81 0 - 9.6-12.4 HB3 ARG 34 - HG2 LYS 39 far 0 64 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (1.78, 1.43, 24.66 ppm; 3.68 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 62 + HG3 LYS 62 OK 80 80 100 100 2.3-3.0 2.9=100 HB3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.3-3.0 2.9=100 HB3 LYS 62 - HG2 LYS 60 far 10 100 10 - 3.1-9.5 HB3 LYS 62 - HG3 LYS 60 far 0 100 0 - 3.9-10.7 HB3 LYS 60 - HG3 LYS 62 far 0 81 0 - 4.6-10.0 HB3 LYS 60 - HG2 LYS 62 far 0 81 0 - 4.9-10.5 HB2 LYS 58 - HG2 LYS 60 far 0 73 0 - 5.8-11.1 HB2 LYS 58 - HG3 LYS 60 far 0 73 0 - 5.9-10.7 HB2 LYS 58 - HG3 LYS 62 far 0 52 0 - 6.6-16.2 HB2 LYS 58 - HG2 LYS 62 far 0 52 0 - 7.1-17.1 HB2 PRO 32 - HG2 LYS 39 far 0 77 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2969 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 94 94 - 100 HG3 LYS 62 + HG3 LYS 62 OK 78 78 - 100 HG2 LYS 62 + HG2 LYS 62 OK 78 78 - 100 Reference assignment not found: HG2 LYS 60 - HG3 LYS 60 Peak 2970 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 94 94 - 100 HG3 LYS 62 + HG3 LYS 62 OK 79 79 - 100 HG2 LYS 62 + HG2 LYS 62 OK 79 79 - 100 Peak 2971 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 3.09 A): 10 out of 24 assignments used, quality = 1.00: * HD2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 80 80 100 100 2.5-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 69 69 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 69 69 100 100 2.4-3.0 3.0=100 HD2 LYS 60 - HG3 LYS 62 far 0 81 0 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 100 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 81 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 74 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 74 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 87 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 81 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 91 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 97 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 96 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 3.04 A): 10 out of 24 assignments used, quality = 1.00: * HD3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.5-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 64 64 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 64 64 100 100 2.4-3.0 3.0=100 HD2 LYS 60 - HG3 LYS 62 far 0 81 0 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 100 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 81 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 76 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 76 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 89 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 81 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 93 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 98 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 98 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 2973 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: HE3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-3.8 3.9=92, ~2978=12...(58) * HE2 LYS 60 + HG3 LYS 60 OK 95 100 95 100 2.4-4.2 3.9=92, ~2978=12...(58) HE2 LYS 39 + HG2 LYS 39 OK 89 94 95 100 2.1-4.2 3.6=100 HE3 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.3-4.2 3.9=92, ~2978=12...(58) HE2 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.5-4.1 3.9=92, ~2978=12...(58) HE2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.2-3.8 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 80 94 85 100 2.2-4.2 3.6=100 HE3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.1-3.8 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 76 80 95 100 2.3-4.2 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 73 81 90 100 2.4-3.9 3.7=100 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 81 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 81 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 81 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 2974 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: * HE3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-3.8 3.9=92, ~2978=12...(58) HE2 LYS 60 + HG3 LYS 60 OK 95 100 95 100 2.4-4.2 3.9=92, ~2978=12...(58) HE2 LYS 39 + HG2 LYS 39 OK 89 94 95 100 2.1-4.2 3.6=100 HE3 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.3-4.2 3.9=92, ~2978=12...(58) HE2 LYS 60 + HG2 LYS 60 OK 85 100 85 100 2.5-4.1 3.9=92, ~2978=12...(58) HE2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.2-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.1-3.8 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 80 94 85 100 2.2-4.2 3.6=100 HE3 LYS 62 + HG3 LYS 62 OK 76 80 95 100 2.3-4.2 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 73 81 90 100 2.4-3.9 3.7=100 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 81 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 81 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 81 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 4.72 A increased from 3.98 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HD3 LYS 62 OK 99 99 100 100 2.2-4.8 5.0=85, ~819=37...(16) HA LYS 62 + HD2 LYS 62 OK 89 99 90 99 2.1-5.5 5.0=85, ~819=37...(13) HA LYS 60 + HD3 LYS 60 OK 85 100 85 100 2.5-5.5 5.2=75, 3073/3.7=32...(29) * HA LYS 60 + HD2 LYS 60 OK 75 100 75 100 2.2-5.5 5.2=75, 3.0/2978=44...(29) HA LYS 60 - HD2 LYS 62 far 10 100 10 - 4.2-10.6 HA THR 59 - HD2 LYS 60 far 5 100 5 - 3.3-7.6 HA THR 59 - HD3 LYS 60 far 5 100 5 - 4.1-8.2 HB THR 59 - HD3 LYS 62 far 4 86 5 - 4.5-13.5 HA ARG 61 - HD2 LYS 60 far 4 81 5 - 2.8-8.0 HA ARG 61 - HD3 LYS 60 far 4 80 5 - 3.7-8.2 HA ARG 61 - HD2 LYS 62 far 4 80 5 - 4.1-8.7 HA ARG 61 - HD3 LYS 62 far 4 80 5 - 4.4-8.0 HB THR 59 - HD2 LYS 60 far 0 87 0 - 4.9-8.9 HA LYS 62 - HD3 LYS 60 far 0 99 0 - 5.2-10.0 HB THR 59 - HD2 LYS 62 far 0 86 0 - 5.2-13.4 HA THR 59 - HD3 LYS 62 far 0 100 0 - 5.2-14.4 HA LYS 60 - HD3 LYS 62 far 0 100 0 - 5.4-11.5 HB THR 59 - HD3 LYS 60 far 0 86 0 - 5.5-10.0 HA LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-10.5 HA THR 59 - HD2 LYS 62 far 0 100 0 - 7.0-14.2 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (1.83, 1.67, 28.78 ppm; 4.39 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-4.2 3.7=100 HB2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.1-4.2 3.7=100 HB2 LYS 62 + HD2 LYS 62 OK 99 99 100 100 2.3-3.7 3.4=100 HB2 LYS 62 + HD3 LYS 62 OK 98 98 100 100 2.1-3.9 3.4=100 HB2 LYS 62 - HD3 LYS 60 far 5 99 5 - 4.1-11.0 HB2 ARG 61 - HD2 LYS 60 far 0 73 0 - 4.6-8.6 HB2 LYS 62 - HD2 LYS 60 far 0 99 0 - 4.7-11.2 HB2 ARG 61 - HD3 LYS 62 far 0 72 0 - 4.8-8.9 HB2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.5-11.3 HB2 ARG 61 - HD3 LYS 60 far 0 73 0 - 5.6-9.6 HB2 ARG 61 - HD2 LYS 62 far 0 73 0 - 5.6-9.6 HB2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.8-12.0 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (1.78, 1.67, 28.78 ppm; 2.59 A): 3 out of 12 assignments used, quality = 0.66: * HB3 LYS 60 + HD2 LYS 60 OK 41 100 50 82 2.1-4.1 3.7=34, 2951/1.8=10...(38) HB3 LYS 62 + HD2 LYS 62 OK 24 100 30 81 2.2-4.1 3.4=43, 819/5.8=9...(40) HB3 LYS 60 + HD3 LYS 60 OK 24 100 30 81 2.3-3.7 3.7=34, 2951/1.8=9...(38) HB3 LYS 62 - HD3 LYS 62 far 15 100 15 - 2.5-3.8 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.8-11.1 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.1-10.4 HB2 LYS 58 - HD2 LYS 60 far 0 73 0 - 5.1-11.7 HB3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.6-11.8 HB2 LYS 58 - HD3 LYS 60 far 0 73 0 - 6.6-12.4 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.6-11.0 HB2 LYS 58 - HD3 LYS 62 far 0 72 0 - 7.0-17.4 HB2 LYS 58 - HD2 LYS 62 far 0 73 0 - 7.2-17.2 Violated in 1 structures by 0.02 A. Peak 2979 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 91 99 95 97 2.3-3.0 3.0=91, 2.9/3124=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 100 80 99 2.3-3.0 2.9=93, 3.0/2978=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 76 98 80 97 2.3-3.0 3.0=91, 3000/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 100 65 99 2.3-3.0 2.9=93, 3.0/2978=23...(56) * HG2 LYS 60 + HD2 LYS 60 OK 60 100 60 99 2.5-3.0 2.9=93, 3.0/2978=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 59 100 60 99 2.5-3.0 2.9=93, 3.0/2978=14...(56) HG3 LYS 62 + HD3 LYS 62 OK 33 98 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 33 99 35 96 2.5-3.0 3.0=91, 2.9/3124=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 100 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 67 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 66 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 64 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 63 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 65 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 98 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 62 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 98 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 62 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 62 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 91 99 95 97 2.3-3.0 3.0=91, 2.9/3124=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 100 80 99 2.3-3.0 2.9=93, 3.0/2978=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 76 99 80 97 2.3-3.0 3.0=91, 3000/3.0=7...(33) * HG3 LYS 60 + HD2 LYS 60 OK 64 100 65 99 2.3-3.0 2.9=93, 3.0/2978=23...(56) HG2 LYS 60 + HD2 LYS 60 OK 60 100 60 99 2.5-3.0 2.9=93, 3.0/2978=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 59 100 60 99 2.5-3.0 2.9=93, 3.0/2978=14...(56) HG3 LYS 62 + HD3 LYS 62 OK 34 99 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 33 99 35 96 2.5-3.0 3.0=91, 2.9/3124=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 100 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 67 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 66 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 67 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 65 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 68 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 97 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 65 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 98 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 65 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 64 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 2981 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 60 60 - 100 Peak 2982 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 62 62 - 100 Reference assignment not found: HD3 LYS 60 - HD2 LYS 60 Peak 2983 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 99 99 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 67 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 67 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: * HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 67 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 67 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 4.72 A increased from 3.98 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HD3 LYS 62 OK 99 100 100 100 2.2-4.8 5.0=85, ~819=37...(16) HA LYS 62 + HD2 LYS 62 OK 89 100 90 99 2.1-5.5 5.0=85, ~819=37...(13) * HA LYS 60 + HD3 LYS 60 OK 85 100 85 100 2.5-5.5 5.2=75, 3073/3.7=32...(29) HA LYS 60 + HD2 LYS 60 OK 75 100 75 100 2.2-5.5 5.2=75, 3.0/2988=44...(29) HA LYS 60 - HD2 LYS 62 far 10 100 10 - 4.2-10.6 HA THR 59 - HD2 LYS 60 far 5 100 5 - 3.3-7.6 HA THR 59 - HD3 LYS 60 far 5 100 5 - 4.1-8.2 HB THR 59 - HD3 LYS 62 far 4 87 5 - 4.5-13.5 HA ARG 61 - HD3 LYS 60 far 4 81 5 - 3.7-8.2 HA ARG 61 - HD2 LYS 62 far 4 81 5 - 4.1-8.7 HA ARG 61 - HD3 LYS 62 far 4 80 5 - 4.4-8.0 HA ARG 61 - HD2 LYS 60 far 4 80 5 - 2.8-8.0 HB THR 59 - HD2 LYS 60 far 0 86 0 - 4.9-8.9 HA LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-10.0 HB THR 59 - HD2 LYS 62 far 0 87 0 - 5.2-13.4 HA THR 59 - HD3 LYS 62 far 0 100 0 - 5.2-14.4 HA LYS 60 - HD3 LYS 62 far 0 100 0 - 5.4-11.5 HB THR 59 - HD3 LYS 60 far 0 87 0 - 5.5-10.0 HA LYS 62 - HD2 LYS 60 far 0 99 0 - 5.6-10.5 HA THR 59 - HD2 LYS 62 far 0 100 0 - 7.0-14.2 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (1.83, 1.67, 28.78 ppm; 4.39 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.1-4.2 3.7=100 HB2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-4.2 3.7=100 HB2 LYS 62 + HD2 LYS 62 OK 99 99 100 100 2.3-3.7 3.4=100 HB2 LYS 62 + HD3 LYS 62 OK 99 99 100 100 2.1-3.9 3.4=100 HB2 LYS 62 - HD3 LYS 60 far 5 99 5 - 4.1-11.0 HB2 ARG 61 - HD2 LYS 60 far 0 73 0 - 4.6-8.6 HB2 LYS 62 - HD2 LYS 60 far 0 99 0 - 4.7-11.2 HB2 ARG 61 - HD3 LYS 62 far 0 73 0 - 4.8-8.9 HB2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.5-11.3 HB2 ARG 61 - HD3 LYS 60 far 0 73 0 - 5.6-9.6 HB2 ARG 61 - HD2 LYS 62 far 0 73 0 - 5.6-9.6 HB2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.8-12.0 Violated in 0 structures by 0.00 A. Peak 2988 from cnoeabs.peaks (1.78, 1.67, 28.78 ppm; 2.59 A): 3 out of 12 assignments used, quality = 0.66: HB3 LYS 60 + HD2 LYS 60 OK 41 100 50 82 2.1-4.1 3.7=34, 2951/1.8=10...(38) HB3 LYS 62 + HD2 LYS 62 OK 24 100 30 81 2.2-4.1 3.4=43, 819/5.8=9...(40) * HB3 LYS 60 + HD3 LYS 60 OK 24 100 30 81 2.3-3.7 3.7=34, 2951/1.8=9...(38) HB3 LYS 62 - HD3 LYS 62 far 15 100 15 - 2.5-3.8 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.8-11.1 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.1-10.4 HB2 LYS 58 - HD2 LYS 60 far 0 73 0 - 5.1-11.7 HB3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.6-11.8 HB2 LYS 58 - HD3 LYS 60 far 0 73 0 - 6.6-12.4 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.6-11.0 HB2 LYS 58 - HD3 LYS 62 far 0 73 0 - 7.0-17.4 HB2 LYS 58 - HD2 LYS 62 far 0 73 0 - 7.2-17.2 Violated in 1 structures by 0.02 A. Peak 2989 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 91 99 95 97 2.3-3.0 3.0=91, 2.9/3134=14...(30) * HG2 LYS 60 + HD3 LYS 60 OK 79 100 80 99 2.3-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 77 99 80 97 2.3-3.0 3.0=91, 3000/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 100 65 99 2.3-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 60 100 60 99 2.5-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 60 + HD2 LYS 60 OK 59 100 60 99 2.5-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 62 + HD3 LYS 62 OK 34 99 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 33 99 35 96 2.5-3.0 3.0=91, 2.9/3134=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 100 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 65 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 62 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 65 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 99 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 63 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 99 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 63 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 63 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 91 99 95 97 2.3-3.0 3.0=91, 2.9/3134=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 100 80 99 2.3-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 77 99 80 97 2.3-3.0 3.0=91, 3000/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 100 65 99 2.3-3.0 2.9=93, 3.0/2988=23...(56) * HG3 LYS 60 + HD3 LYS 60 OK 60 100 60 99 2.5-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 60 + HD2 LYS 60 OK 59 100 60 99 2.5-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 62 + HD3 LYS 62 OK 34 99 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 34 99 35 96 2.5-3.0 3.0=91, 2.9/3134=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 100 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 68 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 65 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 68 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 98 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 65 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 98 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 65 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 65 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 64 64 - 100 Reference assignment not found: HD2 LYS 60 - HD3 LYS 60 Peak 2992 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 67 67 - 100 Peak 2993 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 72 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 72 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 72 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 72 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 2997 from cnoeabs.peaks (1.83, 2.98, 42.17 ppm; 4.70 A increased from 3.95 A): 4 out of 18 assignments used, quality = 1.00: HB2 LYS 60 + HE3 LYS 60 OK 90 100 90 100 3.1-5.5 4.9=87, ~2978=31...(53) HB2 LYS 62 + HE2 LYS 62 OK 89 98 90 100 2.5-5.5 4.6=100 * HB2 LYS 60 + HE2 LYS 60 OK 85 100 85 100 2.0-5.5 4.9=87, ~2978=31...(53) HB2 LYS 62 + HE3 LYS 62 OK 83 97 85 100 2.9-5.5 4.6=100 HB2 LYS 62 - HE2 LYS 60 far 5 99 5 - 4.3-11.6 HB2 LYS 60 - HE3 LYS 62 far 5 99 5 - 4.5-13.0 HB2 ARG 61 - HE3 LYS 60 far 4 73 5 - 4.7-10.3 HB2 ARG 61 - HE2 LYS 62 far 4 72 5 - 4.3-10.0 HB2 ARG 61 - HE2 LYS 60 far 0 73 0 - 5.2-9.7 HB2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.5-12.3 HB2 ARG 61 - HE3 LYS 62 far 0 71 0 - 5.9-10.5 HB2 LYS 60 - HE2 LYS 62 far 0 100 0 - 6.1-12.9 HB3 ARG 34 - HE2 LYS 49 far 0 72 0 - 6.8-10.1 HB3 GLN 47 - HE2 LYS 49 far 0 97 0 - 8.1-11.4 HB3 GLN 47 - HE3 LYS 49 far 0 97 0 - 8.3-11.2 HB3 ARG 34 - HE3 LYS 49 far 0 72 0 - 8.4-10.7 HB3 ARG 34 - HE3 LYS 39 far 0 36 0 - 9.1-13.0 HB3 ARG 34 - HE2 LYS 39 far 0 36 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 2998 from cnoeabs.peaks (1.78, 2.98, 42.17 ppm; 4.82 A increased from 4.06 A): 4 out of 14 assignments used, quality = 1.00: HB3 LYS 62 + HE2 LYS 62 OK 100 100 100 100 2.0-4.9 4.6=100 * HB3 LYS 60 + HE2 LYS 60 OK 95 100 95 100 2.0-5.0 4.9=94, 2978/3.0=45...(47) HB3 LYS 60 + HE3 LYS 60 OK 95 100 95 100 2.4-5.5 4.9=94, 2978/3.0=45...(47) HB3 LYS 62 + HE3 LYS 62 OK 84 99 85 100 2.2-5.4 4.6=100 HB2 LYS 58 - HE3 LYS 60 far 0 73 0 - 5.0-13.1 HB3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.1-11.8 HB2 LYS 58 - HE3 LYS 62 far 0 71 0 - 5.1-17.8 HB3 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.4-11.6 HB2 LYS 58 - HE2 LYS 60 far 0 73 0 - 5.8-12.8 HB3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.8-12.3 HB3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-12.4 HB2 LYS 58 - HE2 LYS 62 far 0 72 0 - 6.0-18.5 HB2 PRO 32 - HE3 LYS 39 far 0 45 0 - 7.2-11.0 HB2 PRO 32 - HE2 LYS 39 far 0 45 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 2999 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 8 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 76 98 85 90 2.2-3.8 3.7=65, 2990/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 53 98 60 90 2.4-3.9 3.7=65, 2990/3.0=10...(29) HG2 LYS 62 + HE3 LYS 62 OK 48 97 55 91 2.1-3.8 3.7=65, 3.0/3011=11...(29) * HG2 LYS 60 + HE2 LYS 60 OK 48 100 50 97 2.5-4.1 3.9=56, 2979/3.0=9...(54) HG3 LYS 62 + HE3 LYS 62 OK 48 97 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG3 LYS 60 + HE2 LYS 60 OK 43 100 45 97 2.4-4.2 3.9=56, 2.9/3001=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 43 100 45 96 2.3-4.2 3.9=56, 2979/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 39 100 40 97 2.1-3.8 3.9=56, 2.9/3001=8...(54) HG2 LYS 39 - HE3 LYS 39 poor 20 58 35 96 2.2-4.2 3.6=72, ~2050=19...(38) HG2 LYS 39 - HE2 LYS 39 poor 15 58 25 - 2.1-4.2 HG3 LYS 49 - HE3 LYS 49 far 9 62 15 - 2.4-4.2 HG3 LYS 49 - HE2 LYS 49 far 9 62 15 - 2.5-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 99 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 64 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 63 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 60 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 62 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 63 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 98 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 97 0 - 7.8-19.8 HG3 LYS 58 - HE2 LYS 60 far 0 63 0 - 8.2-14.3 HB2 LYS 27 - HE2 LYS 60 far 0 99 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 65 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 8 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 76 99 85 90 2.2-3.8 3.7=65, 2990/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 53 99 60 90 2.4-3.9 3.7=65, 2990/3.0=10...(29) HG2 LYS 62 + HE3 LYS 62 OK 49 98 55 91 2.1-3.8 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 48 100 50 97 2.5-4.1 3.9=56, 2979/3.0=9...(54) HG3 LYS 62 + HE3 LYS 62 OK 48 98 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) * HG3 LYS 60 + HE2 LYS 60 OK 43 100 45 97 2.4-4.2 3.9=56, 2.9/3001=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 43 100 45 96 2.3-4.2 3.9=56, 2979/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 39 100 40 97 2.1-3.8 3.9=56, 2.9/3001=8...(54) HG2 LYS 39 - HE3 LYS 39 poor 20 59 35 96 2.2-4.2 3.6=72, ~2050=19...(38) HG2 LYS 39 - HE2 LYS 39 poor 15 59 25 - 2.1-4.2 HG3 LYS 49 - HE3 LYS 49 far 9 59 15 - 2.4-4.2 HG3 LYS 49 - HE2 LYS 49 far 9 59 15 - 2.5-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 99 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 67 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 65 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 63 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 64 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 65 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 97 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 96 0 - 7.8-19.8 HG3 LYS 58 - HE2 LYS 60 far 0 65 0 - 8.2-14.3 HB2 LYS 27 - HE2 LYS 60 far 0 98 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 68 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3001 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.55 A): 10 out of 28 assignments used, quality = 1.00: HD2 LYS 62 + HE3 LYS 62 OK 72 99 90 81 2.3-3.0 3.0=63, 3130/1.8=6...(26) HD3 LYS 62 + HE2 LYS 62 OK 56 100 70 80 2.3-3.0 3.0=63, 3130/1.8=6...(26) HD2 LYS 60 + HE3 LYS 60 OK 54 100 65 83 2.3-3.0 3.0=62, 3130/1.8=6...(36) HD3 LYS 60 + HE2 LYS 60 OK 53 100 65 82 2.3-3.0 3.0=62, 3130/1.8=6...(36) * HD2 LYS 60 + HE2 LYS 60 OK 46 100 55 83 2.4-3.0 3.0=62, 3130/1.8=6...(36) HD3 LYS 60 + HE3 LYS 60 OK 45 100 55 82 2.4-3.0 3.0=62, 3130/1.8=6...(36) HD2 LYS 62 + HE2 LYS 62 OK 28 100 35 80 2.4-3.0 3.0=63, 3130/1.8=6...(26) HD3 LYS 62 + HE3 LYS 62 OK 24 99 30 81 2.4-3.0 3.0=63, 3140/1.8=6...(26) HD2 LYS 39 + HE3 LYS 39 OK 24 39 80 75 2.3-3.0 3.0=62, 2050/3.6=12...(10) HD3 LYS 39 + HE2 LYS 39 OK 23 39 80 74 2.3-3.0 3.0=62, 2050/3.6=7...(10) HD2 LYS 39 - HE2 LYS 39 poor 16 39 40 - 2.4-3.0 HD3 LYS 39 - HE3 LYS 39 poor 10 39 25 - 2.4-3.0 HG13 ILE 50 - HE2 LYS 49 far 4 82 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 82 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 94 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 56 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 56 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 52 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 96 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 52 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3002 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.93 A): 12 out of 28 assignments used, quality = 1.00: HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 2978/4.9=10...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 2978/4.9=10...(36) HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 3140/1.8=8...(36) * HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 62 + HE2 LYS 62 OK 98 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE3 LYS 62 OK 97 99 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2050/3.6=16...(16) HD2 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.3-3.0 3.0=94, 2050/3.6=16...(12) HD3 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.3-3.0 3.0=94, 2050/3.6=9...(16) HD3 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2040/3.6=9...(12) HG13 ILE 50 - HE2 LYS 49 far 4 77 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 77 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 96 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 57 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 57 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 54 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 97 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 54 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3003 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 98 98 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE3 LYS 39 + HE3 LYS 39 OK 59 59 - 100 Peak 3004 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 99 99 - 100 HE3 LYS 62 + HE3 LYS 62 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE3 LYS 39 + HE3 LYS 39 OK 59 59 - 100 Reference assignment not found: HE3 LYS 60 - HE2 LYS 60 Peak 3007 from cnoeabs.peaks (1.83, 2.98, 42.17 ppm; 4.70 A increased from 3.95 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 60 + HE3 LYS 60 OK 90 100 90 100 3.1-5.5 4.9=87, ~2978=31...(53) HB2 LYS 62 + HE2 LYS 62 OK 89 99 90 100 2.5-5.5 4.6=100 HB2 LYS 60 + HE2 LYS 60 OK 85 100 85 100 2.0-5.5 4.9=87, ~2978=31...(53) HB2 LYS 62 + HE3 LYS 62 OK 83 98 85 100 2.9-5.5 4.6=100 HB2 LYS 60 - HE3 LYS 62 far 5 99 5 - 4.5-13.0 HB2 LYS 62 - HE2 LYS 60 far 5 99 5 - 4.3-11.6 HB2 ARG 61 - HE3 LYS 60 far 4 73 5 - 4.7-10.3 HB2 ARG 61 - HE2 LYS 62 far 4 72 5 - 4.3-10.0 HB2 ARG 61 - HE2 LYS 60 far 0 73 0 - 5.2-9.7 HB2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.5-12.3 HB2 ARG 61 - HE3 LYS 62 far 0 71 0 - 5.9-10.5 HB2 LYS 60 - HE2 LYS 62 far 0 100 0 - 6.1-12.9 HB3 ARG 34 - HE2 LYS 49 far 0 71 0 - 6.8-10.1 HB3 GLN 47 - HE2 LYS 49 far 0 97 0 - 8.1-11.4 HB3 GLN 47 - HE3 LYS 49 far 0 97 0 - 8.3-11.2 HB3 ARG 34 - HE3 LYS 49 far 0 71 0 - 8.4-10.7 HB3 ARG 34 - HE3 LYS 39 far 0 36 0 - 9.1-13.0 HB3 ARG 34 - HE2 LYS 39 far 0 36 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (1.78, 2.98, 42.17 ppm; 4.82 A increased from 4.06 A): 4 out of 14 assignments used, quality = 1.00: HB3 LYS 62 + HE2 LYS 62 OK 100 100 100 100 2.0-4.9 4.6=100 * HB3 LYS 60 + HE3 LYS 60 OK 95 100 95 100 2.4-5.5 4.9=94, 2978/3.0=45...(47) HB3 LYS 60 + HE2 LYS 60 OK 95 100 95 100 2.0-5.0 4.9=94, 2978/3.0=45...(47) HB3 LYS 62 + HE3 LYS 62 OK 84 99 85 100 2.2-5.4 4.6=100 HB2 LYS 58 - HE3 LYS 60 far 0 73 0 - 5.0-13.1 HB3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.1-11.8 HB2 LYS 58 - HE3 LYS 62 far 0 71 0 - 5.1-17.8 HB3 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.4-11.6 HB2 LYS 58 - HE2 LYS 60 far 0 73 0 - 5.8-12.8 HB3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.8-12.3 HB3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-12.4 HB2 LYS 58 - HE2 LYS 62 far 0 72 0 - 6.0-18.5 HB2 PRO 32 - HE3 LYS 39 far 0 45 0 - 7.2-11.0 HB2 PRO 32 - HE2 LYS 39 far 0 45 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 8 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 76 99 85 90 2.2-3.8 3.7=65, 2990/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 53 99 60 90 2.4-3.9 3.7=65, 2990/3.0=10...(29) HG2 LYS 62 + HE3 LYS 62 OK 49 98 55 91 2.1-3.8 3.7=65, 3.0/3011=11...(29) HG3 LYS 62 + HE3 LYS 62 OK 48 98 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 48 100 50 97 2.5-4.1 3.9=56, 2979/3.0=9...(54) HG3 LYS 60 + HE2 LYS 60 OK 43 100 45 97 2.4-4.2 3.9=56, 2.9/3001=8...(54) * HG2 LYS 60 + HE3 LYS 60 OK 43 100 45 96 2.3-4.2 3.9=56, 2979/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 39 100 40 97 2.1-3.8 3.9=56, 2.9/3001=8...(54) HG2 LYS 39 - HE3 LYS 39 poor 20 58 35 96 2.2-4.2 3.6=72, ~2050=19...(38) HG2 LYS 39 - HE2 LYS 39 poor 14 58 25 - 2.1-4.2 HG3 LYS 49 - HE3 LYS 49 far 9 61 15 - 2.4-4.2 HG3 LYS 49 - HE2 LYS 49 far 9 61 15 - 2.5-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 99 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 65 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 64 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 61 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 62 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 63 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 98 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 97 0 - 7.8-19.8 HG3 LYS 58 - HE2 LYS 60 far 0 63 0 - 8.2-14.3 HB2 LYS 27 - HE2 LYS 60 far 0 99 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 65 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 8 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 76 99 85 90 2.2-3.8 3.7=65, 2990/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 53 99 60 90 2.4-3.9 3.7=65, 2990/3.0=10...(29) HG2 LYS 62 + HE3 LYS 62 OK 49 98 55 91 2.1-3.8 3.7=65, 3.0/3011=11...(29) HG3 LYS 62 + HE3 LYS 62 OK 48 98 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 48 100 50 97 2.5-4.1 3.9=56, 2979/3.0=9...(54) HG3 LYS 60 + HE2 LYS 60 OK 43 100 45 97 2.4-4.2 3.9=56, 2.9/3001=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 43 100 45 96 2.3-4.2 3.9=56, 2979/3.0=9...(54) * HG3 LYS 60 + HE3 LYS 60 OK 39 100 40 97 2.1-3.8 3.9=56, 2.9/3001=8...(54) HG2 LYS 39 - HE3 LYS 39 poor 20 58 35 96 2.2-4.2 3.6=72, ~2050=19...(38) HG2 LYS 39 - HE2 LYS 39 poor 15 58 25 - 2.1-4.2 HG3 LYS 49 - HE3 LYS 49 far 9 58 15 - 2.4-4.2 HG3 LYS 49 - HE2 LYS 49 far 9 58 15 - 2.5-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 99 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 67 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 66 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 64 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 65 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 65 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 97 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 97 0 - 7.8-19.8 HG3 LYS 58 - HE2 LYS 60 far 0 65 0 - 8.2-14.3 HB2 LYS 27 - HE2 LYS 60 far 0 98 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 68 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.55 A): 10 out of 28 assignments used, quality = 1.00: HD2 LYS 62 + HE3 LYS 62 OK 73 99 90 81 2.3-3.0 3.0=63, 3130/1.8=6...(26) HD3 LYS 62 + HE2 LYS 62 OK 56 100 70 80 2.3-3.0 3.0=63, 3130/1.8=6...(26) * HD2 LYS 60 + HE3 LYS 60 OK 54 100 65 83 2.3-3.0 3.0=62, 3130/1.8=6...(36) HD3 LYS 60 + HE2 LYS 60 OK 53 100 65 82 2.3-3.0 3.0=62, 3130/1.8=6...(36) HD2 LYS 60 + HE2 LYS 60 OK 45 100 55 83 2.4-3.0 3.0=62, 3130/1.8=6...(36) HD3 LYS 60 + HE3 LYS 60 OK 45 100 55 82 2.4-3.0 3.0=62, 3130/1.8=6...(36) HD2 LYS 62 + HE2 LYS 62 OK 28 100 35 80 2.4-3.0 3.0=63, 3130/1.8=6...(26) HD3 LYS 62 + HE3 LYS 62 OK 24 99 30 81 2.4-3.0 3.0=63, 3140/1.8=6...(26) HD2 LYS 39 + HE3 LYS 39 OK 24 39 80 75 2.3-3.0 3.0=62, 2050/3.6=12...(10) HD3 LYS 39 + HE2 LYS 39 OK 23 39 80 74 2.3-3.0 3.0=62, 2050/3.6=7...(10) HD2 LYS 39 - HE2 LYS 39 poor 16 39 40 - 2.4-3.0 HD3 LYS 39 - HE3 LYS 39 poor 10 39 25 - 2.4-3.0 HG13 ILE 50 - HE2 LYS 49 far 4 81 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 81 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 95 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 56 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 56 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 52 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 96 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 52 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.93 A): 12 out of 28 assignments used, quality = 1.00: HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 2978/4.9=10...(36) * HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 2978/4.9=10...(36) HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 62 + HE2 LYS 62 OK 98 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2050/3.6=16...(16) HD2 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.3-3.0 3.0=94, 2050/3.6=16...(12) HD3 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.3-3.0 3.0=94, 2050/3.6=9...(16) HD3 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2040/3.6=9...(12) HG13 ILE 50 - HE2 LYS 49 far 4 76 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 76 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 97 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 57 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 57 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 54 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 97 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 54 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3013 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 99 99 - 100 HE3 LYS 62 + HE3 LYS 62 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE3 LYS 39 + HE3 LYS 39 OK 59 59 - 100 Reference assignment not found: HE2 LYS 60 - HE3 LYS 60 Peak 3014 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 99 99 - 100 HE3 LYS 49 + HE3 LYS 49 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 Peak 3015 from cnoeabs.peaks (8.17, 4.24, 56.37 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 61 + HA ARG 61 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 61 - HA LYS 62 far 0 62 0 - 4.6-6.4 H LEU 68 - HA ARG 61 far 0 57 0 - 6.9-19.8 H LEU 68 - HA LYS 62 far 0 29 0 - 7.4-16.3 Violated in 0 structures by 0.00 A. Peak 3016 from cnoeabs.peaks (4.24, 4.24, 56.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 61 + HA ARG 61 OK 100 100 - 100 HA LYS 62 + HA LYS 62 OK 50 50 - 100 Peak 3017 from cnoeabs.peaks (1.81, 4.24, 56.37 ppm; 3.02 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 61 + HA ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 62 + HA LYS 62 OK 49 49 100 100 2.4-3.0 3.0=100 HB2 LYS 60 - HA ARG 61 far 0 73 0 - 4.1-5.9 HB2 ARG 61 - HA LYS 62 far 0 62 0 - 4.2-5.9 HB2 LYS 62 - HA ARG 61 far 0 89 0 - 4.5-6.5 HB2 LYS 60 - HA LYS 62 far 0 38 0 - 4.9-9.6 HB2 LYS 58 - HA ARG 61 far 0 98 0 - 6.2-11.4 HB2 LYS 58 - HA LYS 62 far 0 58 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (1.73, 4.24, 56.37 ppm; 3.21 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 61 + HA ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 61 - HA LYS 62 far 0 62 0 - 4.0-6.0 HB2 ARG 56 - HA LYS 62 far 0 60 0 - 4.8-15.0 HB2 ARG 56 - HA ARG 61 far 0 99 0 - 5.9-13.4 HB3 LYS 58 - HA ARG 61 far 0 100 0 - 7.1-12.3 HB3 LYS 58 - HA LYS 62 far 0 61 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (1.60, 4.24, 56.37 ppm; 3.76 A increased from 3.54 A): 2 out of 8 assignments used, quality = 1.00: HG3 ARG 61 + HA ARG 61 OK 98 100 100 98 2.4-3.8 4.0=82, ~811=25...(12) * HG2 ARG 61 + HA ARG 61 OK 88 100 90 98 2.2-4.2 4.0=82, ~811=25...(12) HG2 ARG 61 - HA LYS 62 far 3 62 5 - 3.9-6.7 HG3 ARG 61 - HA LYS 62 far 0 62 0 - 4.1-7.1 HB3 LEU 64 - HA ARG 61 far 0 81 0 - 5.1-12.5 HB3 LEU 64 - HA LYS 62 far 0 43 0 - 5.3-9.8 HG LEU 68 - HA ARG 61 far 0 85 0 - 6.7-23.9 HG LEU 68 - HA LYS 62 far 0 46 0 - 7.3-20.3 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (1.59, 4.24, 56.37 ppm; 3.76 A increased from 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 61 + HA ARG 61 OK 98 100 100 98 2.4-3.8 4.0=82, ~811=25...(12) HG2 ARG 61 + HA ARG 61 OK 88 100 90 98 2.2-4.2 4.0=82, ~811=25...(12) HG2 ARG 61 - HA LYS 62 far 3 62 5 - 3.9-6.7 HG3 ARG 61 - HA LYS 62 far 0 62 0 - 4.1-7.1 HB3 LEU 64 - HA ARG 61 far 0 78 0 - 5.1-12.5 HB3 LEU 64 - HA LYS 62 far 0 41 0 - 5.3-9.8 HG LEU 68 - HA ARG 61 far 0 83 0 - 6.7-23.9 HG LEU 68 - HA LYS 62 far 0 45 0 - 7.3-20.3 Violated in 0 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (3.14, 4.24, 56.37 ppm; 4.64 A increased from 4.13 A): 2 out of 6 assignments used, quality = 0.99: * HD2 ARG 61 + HA ARG 61 OK 94 100 95 99 2.1-5.0 5.4=65, 3.0/3020=42...(11) HD3 ARG 61 + HA ARG 61 OK 79 100 80 99 2.2-5.0 5.4=65, 1.8/3056=43...(11) HD2 ARG 61 - HA LYS 62 far 6 62 10 - 3.9-7.8 HD3 ARG 61 - HA LYS 62 far 6 62 10 - 4.2-8.2 HB3 TYR 57 - HA LYS 62 far 0 37 0 - 6.4-15.7 HB3 TYR 57 - HA ARG 61 far 0 71 0 - 7.6-12.7 Violated in 0 structures by 0.00 A. Peak 3022 from cnoeabs.peaks (3.14, 4.24, 56.37 ppm; 4.64 A increased from 4.13 A): 2 out of 6 assignments used, quality = 0.99: HD2 ARG 61 + HA ARG 61 OK 94 100 95 99 2.1-5.0 5.4=65, 3.0/3020=42...(11) * HD3 ARG 61 + HA ARG 61 OK 79 100 80 99 2.2-5.0 5.4=65, 1.8/3056=43...(11) HD2 ARG 61 - HA LYS 62 far 6 62 10 - 3.9-7.8 HD3 ARG 61 - HA LYS 62 far 6 62 10 - 4.2-8.2 HB3 TYR 57 - HA LYS 62 far 0 37 0 - 6.4-15.7 HB3 TYR 57 - HA ARG 61 far 0 71 0 - 7.6-12.7 Violated in 0 structures by 0.00 A. Peak 3023 from cnoeabs.peaks (8.17, 1.81, 30.54 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.2-4.0 4.0=100 H ALA 35 - HB2 PRO 32 far 0 32 0 - 5.4-5.8 H LEU 68 - HB2 ARG 61 far 0 57 0 - 5.9-19.1 Violated in 0 structures by 0.00 A. Peak 3024 from cnoeabs.peaks (4.24, 1.81, 30.54 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 59 - HB2 ARG 61 far 0 87 0 - 3.9-9.2 HA LYS 62 - HB2 ARG 61 far 0 90 0 - 4.2-5.9 HA LYS 60 - HB2 ARG 61 far 0 81 0 - 4.2-6.2 HB3 SER 30 - HB2 PRO 32 far 0 34 0 - 4.8-6.0 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.81, 1.81, 30.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 61 + HB2 ARG 61 OK 100 100 - 100 HB2 PRO 32 + HB2 PRO 32 OK 38 38 - 100 Peak 3026 from cnoeabs.peaks (1.73, 1.81, 30.54 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 61 + HB2 ARG 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 56 - HB2 ARG 61 far 0 99 0 - 5.6-13.4 HB3 LYS 58 - HB2 ARG 61 far 0 100 0 - 7.0-12.8 HB3 LEU 37 - HB2 PRO 32 far 0 45 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 3027 from cnoeabs.peaks (1.60, 1.81, 30.54 ppm; 3.02 A increased from 2.85 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HB2 ARG 61 far 0 81 0 - 4.9-14.0 HG LEU 68 - HB2 ARG 61 far 0 85 0 - 5.0-23.0 HG3 ARG 34 - HB2 PRO 32 far 0 43 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 3028 from cnoeabs.peaks (1.59, 1.81, 30.54 ppm; 3.02 A increased from 2.85 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 64 - HB2 ARG 61 far 0 78 0 - 4.9-14.0 HG LEU 68 - HB2 ARG 61 far 0 83 0 - 5.0-23.0 HG3 ARG 34 - HB2 PRO 32 far 0 43 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (8.17, 1.73, 30.54 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.5-3.7 4.0=100 H LEU 68 - HB3 ARG 61 far 0 57 0 - 7.2-18.6 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (4.24, 1.73, 30.54 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 62 - HB3 ARG 61 far 0 90 0 - 4.0-6.0 HA LYS 60 - HB3 ARG 61 far 0 81 0 - 4.1-6.6 HA THR 59 - HB3 ARG 61 far 0 87 0 - 4.9-10.0 Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (1.81, 1.73, 30.54 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 62 - HB3 ARG 61 far 0 89 0 - 3.4-7.3 HB2 LYS 60 - HB3 ARG 61 far 0 73 0 - 4.0-7.5 HB2 LYS 58 - HB3 ARG 61 far 0 98 0 - 4.2-13.1 Violated in 0 structures by 0.00 A. Peak 3034 from cnoeabs.peaks (1.73, 1.73, 30.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 61 + HB3 ARG 61 OK 100 100 - 100 Peak 3035 from cnoeabs.peaks (1.60, 1.73, 30.54 ppm; 3.06 A increased from 2.88 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HB3 ARG 61 far 0 81 0 - 3.9-13.0 HG LEU 68 - HB3 ARG 61 far 0 85 0 - 6.5-22.7 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (1.59, 1.73, 30.54 ppm; 3.06 A increased from 2.88 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 64 - HB3 ARG 61 far 0 78 0 - 3.9-13.0 HG LEU 68 - HB3 ARG 61 far 0 83 0 - 6.5-22.7 Violated in 0 structures by 0.00 A. Peak 3037 from cnoeabs.peaks (3.14, 1.73, 30.54 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.2-4.0 3.5=100 * HD2 ARG 61 + HB3 ARG 61 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 TYR 57 - HB3 ARG 61 far 0 71 0 - 6.7-13.4 Violated in 0 structures by 0.00 A. Peak 3038 from cnoeabs.peaks (3.14, 1.73, 30.54 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.2-4.0 3.5=100 HD2 ARG 61 + HB3 ARG 61 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 TYR 57 - HB3 ARG 61 far 0 71 0 - 6.7-13.4 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (8.17, 1.60, 27.31 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.0-4.6 4.9=89, 811/2.9=85...(12) H ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.0-4.6 4.9=89, 811/2.9=85...(12) H LEU 68 - HG3 ARG 61 far 0 57 0 - 4.9-20.7 H LEU 68 - HG2 ARG 61 far 0 57 0 - 5.5-21.2 Violated in 0 structures by 0.00 A. Peak 3040 from cnoeabs.peaks (4.24, 1.60, 27.31 ppm; 4.24 A): 2 out of 9 assignments used, quality = 1.00: * HA ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-4.2 4.0=100 HA ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-3.8 4.0=100 HA LYS 60 - HG3 ARG 61 poor 16 80 20 - 3.5-7.1 HA LYS 62 - HG2 ARG 61 far 14 90 15 - 3.9-6.7 HA LYS 60 - HG2 ARG 61 far 8 81 10 - 3.7-7.7 HA LYS 62 - HG3 ARG 61 far 5 90 5 - 4.1-7.1 HA THR 59 - HG2 ARG 61 far 0 87 0 - 4.5-10.0 HA THR 59 - HG3 ARG 61 far 0 87 0 - 5.6-9.8 HA GLU 20 - HG3 ARG 21 far 0 71 0 - 5.7-7.2 Violated in 0 structures by 0.00 A. Peak 3041 from cnoeabs.peaks (1.81, 1.60, 27.31 ppm; 3.08 A increased from 2.90 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 60 - HG2 ARG 61 far 4 73 5 - 2.4-8.3 HB2 LYS 60 - HG3 ARG 61 far 0 73 0 - 3.8-8.6 HB2 LYS 62 - HG2 ARG 61 far 0 89 0 - 4.0-8.6 HB2 LYS 58 - HG2 ARG 61 far 0 98 0 - 4.7-14.4 HB ILE 17 - HG3 ARG 21 far 0 58 0 - 4.8-7.6 HB2 LYS 62 - HG3 ARG 61 far 0 89 0 - 5.1-8.6 HD2 LYS 22 - HG3 ARG 21 far 0 93 0 - 6.0-8.2 HB2 LYS 58 - HG3 ARG 61 far 0 98 0 - 6.3-13.6 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (1.73, 1.60, 27.31 ppm; 3.14 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 56 - HG2 ARG 61 far 0 99 0 - 4.8-13.4 HB3 LYS 58 - HG2 ARG 61 far 0 100 0 - 6.1-15.2 HB2 ARG 56 - HG3 ARG 61 far 0 99 0 - 6.2-13.5 HB3 LYS 58 - HG3 ARG 61 far 0 100 0 - 7.3-14.4 HG2 LYS 22 - HG3 ARG 21 far 0 87 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (1.60, 1.60, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 93 93 - 100 Peak 3044 from cnoeabs.peaks (1.59, 1.60, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 92 92 - 100 Reference assignment not found: HG3 ARG 61 - HG2 ARG 61 Peak 3045 from cnoeabs.peaks (3.14, 1.60, 27.31 ppm; 3.81 A): 4 out of 8 assignments used, quality = 1.00: HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 6.8-14.6 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 7.8-14.2 HB2 PHE 23 - HG3 ARG 21 far 0 87 0 - 7.9-8.9 HB2 PHE 23 - HG3 ARG 61 far 0 94 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (3.14, 1.60, 27.31 ppm; 3.81 A): 4 out of 8 assignments used, quality = 1.00: * HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 6.8-14.6 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 7.8-14.2 HB2 PHE 23 - HG3 ARG 21 far 0 87 0 - 7.9-8.9 HB2 PHE 23 - HG3 ARG 61 far 0 94 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (8.17, 1.59, 27.31 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.0-4.6 4.9=89, 811/2.9=85...(12) H ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.0-4.6 4.9=89, 811/2.9=85...(12) H LEU 68 - HG3 ARG 61 far 0 57 0 - 4.9-20.7 H LEU 68 - HG2 ARG 61 far 0 57 0 - 5.5-21.2 Violated in 0 structures by 0.00 A. Peak 3048 from cnoeabs.peaks (4.24, 1.59, 27.31 ppm; 4.24 A): 2 out of 9 assignments used, quality = 1.00: * HA ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-3.8 4.0=100 HA ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-4.2 4.0=100 HA LYS 60 - HG3 ARG 61 poor 16 81 20 - 3.5-7.1 HA LYS 62 - HG2 ARG 61 far 14 90 15 - 3.9-6.7 HA LYS 60 - HG2 ARG 61 far 8 80 10 - 3.7-7.7 HA LYS 62 - HG3 ARG 61 far 5 90 5 - 4.1-7.1 HA THR 59 - HG2 ARG 61 far 0 87 0 - 4.5-10.0 HA THR 59 - HG3 ARG 61 far 0 87 0 - 5.6-9.8 HA GLU 20 - HG3 ARG 21 far 0 69 0 - 5.7-7.2 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (1.81, 1.59, 27.31 ppm; 3.08 A increased from 2.90 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 60 - HG2 ARG 61 far 4 73 5 - 2.4-8.3 HB2 LYS 60 - HG3 ARG 61 far 0 73 0 - 3.8-8.6 HB2 LYS 62 - HG2 ARG 61 far 0 89 0 - 4.0-8.6 HB2 LYS 58 - HG2 ARG 61 far 0 98 0 - 4.7-14.4 HB ILE 17 - HG3 ARG 21 far 0 57 0 - 4.8-7.6 HB2 LYS 62 - HG3 ARG 61 far 0 89 0 - 5.1-8.6 HD2 LYS 22 - HG3 ARG 21 far 0 91 0 - 6.0-8.2 HB2 LYS 58 - HG3 ARG 61 far 0 98 0 - 6.3-13.6 Violated in 0 structures by 0.00 A. Peak 3050 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 3.14 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 56 - HG2 ARG 61 far 0 99 0 - 4.8-13.4 HB3 LYS 58 - HG2 ARG 61 far 0 100 0 - 6.1-15.2 HB2 ARG 56 - HG3 ARG 61 far 0 99 0 - 6.2-13.5 HB3 LYS 58 - HG3 ARG 61 far 0 100 0 - 7.3-14.4 HG2 LYS 22 - HG3 ARG 21 far 0 85 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 3051 from cnoeabs.peaks (1.60, 1.59, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 91 91 - 100 Reference assignment not found: HG2 ARG 61 - HG3 ARG 61 Peak 3052 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 90 90 - 100 Peak 3053 from cnoeabs.peaks (3.14, 1.59, 27.31 ppm; 3.81 A): 4 out of 8 assignments used, quality = 1.00: * HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 6.8-14.6 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 7.8-14.2 HB2 PHE 23 - HG3 ARG 21 far 0 85 0 - 7.9-8.9 HB2 PHE 23 - HG3 ARG 61 far 0 95 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (3.14, 1.59, 27.31 ppm; 3.81 A): 4 out of 8 assignments used, quality = 1.00: HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 6.8-14.6 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 7.8-14.2 HB2 PHE 23 - HG3 ARG 21 far 0 85 0 - 7.9-8.9 HB2 PHE 23 - HG3 ARG 61 far 0 95 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 3056 from cnoeabs.peaks (4.24, 3.14, 43.26 ppm; 4.62 A increased from 4.11 A): 2 out of 8 assignments used, quality = 0.99: * HA ARG 61 + HD2 ARG 61 OK 94 100 95 99 2.1-5.0 5.4=64, 3020/3.0=42...(11) HA ARG 61 + HD3 ARG 61 OK 79 100 80 99 2.2-5.0 5.4=64, 3021/1.8=42...(11) HA LYS 62 - HD2 ARG 61 far 9 90 10 - 3.9-7.8 HA LYS 62 - HD3 ARG 61 far 9 90 10 - 4.2-8.2 HA LYS 60 - HD3 ARG 61 far 0 81 0 - 5.2-9.1 HA LYS 60 - HD2 ARG 61 far 0 81 0 - 5.4-8.5 HA THR 59 - HD3 ARG 61 far 0 87 0 - 6.1-11.3 HA THR 59 - HD2 ARG 61 far 0 87 0 - 7.2-10.8 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (1.81, 3.14, 43.26 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.99: * HB2 ARG 61 + HD2 ARG 61 OK 95 100 95 100 2.1-4.1 3.5=100 HB2 ARG 61 + HD3 ARG 61 OK 80 100 80 100 2.2-4.2 3.5=100 HB2 LYS 62 - HD3 ARG 61 far 0 89 0 - 4.2-10.3 HB2 LYS 58 - HD3 ARG 61 far 0 98 0 - 4.3-15.4 HB2 LYS 60 - HD3 ARG 61 far 0 73 0 - 4.4-9.2 HB2 LYS 62 - HD2 ARG 61 far 0 89 0 - 4.4-9.8 HB2 LYS 60 - HD2 ARG 61 far 0 73 0 - 5.3-9.1 HB2 LYS 58 - HD2 ARG 61 far 0 98 0 - 5.8-14.9 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.73, 3.14, 43.26 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.99: HB3 ARG 61 + HD3 ARG 61 OK 90 100 90 100 2.2-4.0 3.5=100 * HB3 ARG 61 + HD2 ARG 61 OK 85 100 85 100 2.1-4.2 3.5=100 HB2 ARG 56 - HD2 ARG 61 far 0 99 0 - 5.2-15.2 HB3 LYS 58 - HD3 ARG 61 far 0 100 0 - 6.0-16.0 HB2 ARG 56 - HD3 ARG 61 far 0 99 0 - 6.4-15.0 HB3 LYS 58 - HD2 ARG 61 far 0 100 0 - 7.5-14.8 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (1.60, 3.14, 43.26 ppm; 3.08 A): 4 out of 8 assignments used, quality = 1.00: HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 64 - HD2 ARG 61 far 0 81 0 - 4.8-14.0 HG LEU 68 - HD3 ARG 61 far 0 85 0 - 6.4-25.2 HB3 LEU 64 - HD3 ARG 61 far 0 81 0 - 6.5-15.3 HG LEU 68 - HD2 ARG 61 far 0 85 0 - 7.1-24.3 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (1.59, 3.14, 43.26 ppm; 3.08 A): 4 out of 8 assignments used, quality = 1.00: * HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 64 - HD2 ARG 61 far 0 78 0 - 4.8-14.0 HG LEU 68 - HD3 ARG 61 far 0 83 0 - 6.4-25.2 HB3 LEU 64 - HD3 ARG 61 far 0 78 0 - 6.5-15.3 HG LEU 68 - HD2 ARG 61 far 0 83 0 - 7.1-24.3 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 * HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Peak 3062 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Reference assignment not found: HD3 ARG 61 - HD2 ARG 61 Peak 3064 from cnoeabs.peaks (4.24, 3.14, 43.26 ppm; 4.62 A increased from 4.11 A): 2 out of 8 assignments used, quality = 0.99: HA ARG 61 + HD2 ARG 61 OK 94 100 95 99 2.1-5.0 5.4=64, 3020/3.0=42...(11) * HA ARG 61 + HD3 ARG 61 OK 79 100 80 99 2.2-5.0 5.4=64, 3021/1.8=42...(11) HA LYS 62 - HD2 ARG 61 far 9 90 10 - 3.9-7.8 HA LYS 62 - HD3 ARG 61 far 9 90 10 - 4.2-8.2 HA LYS 60 - HD3 ARG 61 far 0 81 0 - 5.2-9.1 HA LYS 60 - HD2 ARG 61 far 0 81 0 - 5.4-8.5 HA THR 59 - HD3 ARG 61 far 0 87 0 - 6.1-11.3 HA THR 59 - HD2 ARG 61 far 0 87 0 - 7.2-10.8 Violated in 0 structures by 0.00 A. Peak 3065 from cnoeabs.peaks (1.81, 3.14, 43.26 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.99: HB2 ARG 61 + HD2 ARG 61 OK 95 100 95 100 2.1-4.1 3.5=100 * HB2 ARG 61 + HD3 ARG 61 OK 80 100 80 100 2.2-4.2 3.5=100 HB2 LYS 62 - HD3 ARG 61 far 0 89 0 - 4.2-10.3 HB2 LYS 58 - HD3 ARG 61 far 0 98 0 - 4.3-15.4 HB2 LYS 60 - HD3 ARG 61 far 0 73 0 - 4.4-9.2 HB2 LYS 62 - HD2 ARG 61 far 0 89 0 - 4.4-9.8 HB2 LYS 60 - HD2 ARG 61 far 0 73 0 - 5.3-9.1 HB2 LYS 58 - HD2 ARG 61 far 0 98 0 - 5.8-14.9 Violated in 0 structures by 0.00 A. Peak 3066 from cnoeabs.peaks (1.73, 3.14, 43.26 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.99: * HB3 ARG 61 + HD3 ARG 61 OK 90 100 90 100 2.2-4.0 3.5=100 HB3 ARG 61 + HD2 ARG 61 OK 85 100 85 100 2.1-4.2 3.5=100 HB2 ARG 56 - HD2 ARG 61 far 0 99 0 - 5.2-15.2 HB3 LYS 58 - HD3 ARG 61 far 0 100 0 - 6.0-16.0 HB2 ARG 56 - HD3 ARG 61 far 0 99 0 - 6.4-15.0 HB3 LYS 58 - HD2 ARG 61 far 0 100 0 - 7.5-14.8 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (1.60, 3.14, 43.26 ppm; 3.08 A): 4 out of 8 assignments used, quality = 1.00: * HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 64 - HD2 ARG 61 far 0 81 0 - 4.8-14.0 HG LEU 68 - HD3 ARG 61 far 0 85 0 - 6.4-25.2 HB3 LEU 64 - HD3 ARG 61 far 0 81 0 - 6.5-15.3 HG LEU 68 - HD2 ARG 61 far 0 85 0 - 7.1-24.3 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.59, 3.14, 43.26 ppm; 3.08 A): 4 out of 8 assignments used, quality = 1.00: HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 64 - HD2 ARG 61 far 0 78 0 - 4.8-14.0 HG LEU 68 - HD3 ARG 61 far 0 83 0 - 6.4-25.2 HB3 LEU 64 - HD3 ARG 61 far 0 78 0 - 6.5-15.3 HG LEU 68 - HD2 ARG 61 far 0 83 0 - 7.1-24.3 Violated in 0 structures by 0.00 A. Peak 3069 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Reference assignment not found: HD2 ARG 61 - HD3 ARG 61 Peak 3070 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Peak 3071 from cnoeabs.peaks (8.30, 4.26, 56.57 ppm; 3.51 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 62 + HA LYS 62 OK 100 100 100 100 2.3-2.9 2.9=100 H LYS 62 + HA ARG 61 OK 61 62 100 98 2.2-3.6 3.6=95, 328/3.0=48...(5) H LYS 62 - HA LYS 60 far 10 98 10 - 3.4-6.7 H SER 66 - HA ARG 61 far 0 43 0 - 5.7-13.6 H SER 66 - HA LYS 60 far 0 76 0 - 5.8-16.1 H SER 66 - HA LYS 62 far 0 81 0 - 5.8-9.9 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (4.26, 4.26, 56.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 62 + HA LYS 62 OK 100 100 - 100 HA LYS 60 + HA LYS 60 OK 97 97 - 100 HA ARG 61 + HA ARG 61 OK 50 50 - 100 Peak 3073 from cnoeabs.peaks (1.83, 4.26, 56.57 ppm; 2.98 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 62 + HA LYS 62 OK 99 100 100 99 2.4-3.0 3.0=98, 335/334=27...(10) HB2 LYS 60 + HA LYS 60 OK 94 96 100 98 2.3-3.0 3.0=97, 317/3.6=10...(10) HB2 ARG 61 + HA ARG 61 OK 49 49 100 100 2.4-3.0 3.0=100 HB2 LYS 62 - HA LYS 60 far 0 98 0 - 4.0-9.3 HB2 LYS 60 - HA ARG 61 far 0 60 0 - 4.1-5.9 HB2 ARG 61 - HA LYS 62 far 0 89 0 - 4.2-5.9 HB2 ARG 61 - HA LYS 60 far 0 84 0 - 4.2-6.2 HB2 LYS 62 - HA ARG 61 far 0 62 0 - 4.5-6.5 HB2 LYS 60 - HA LYS 62 far 0 99 0 - 4.9-9.6 HB2 LYS 58 - HA ARG 61 far 0 35 0 - 6.2-11.4 HB2 LYS 58 - HA LYS 60 far 0 64 0 - 6.5-8.4 HB2 LYS 58 - HA LYS 62 far 0 68 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 3074 from cnoeabs.peaks (1.77, 4.26, 56.57 ppm; 3.12 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 62 + HA LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HA LYS 60 OK 98 98 100 100 2.4-3.0 3.0=100 HB3 LYS 62 - HA ARG 61 far 0 62 0 - 4.1-6.2 HB3 LYS 60 - HA ARG 61 far 0 61 0 - 4.2-6.0 HB3 LYS 62 - HA LYS 60 far 0 98 0 - 4.8-8.8 HB3 LYS 60 - HA LYS 62 far 0 100 0 - 5.3-8.8 HB2 LYS 58 - HA ARG 61 far 0 33 0 - 6.2-11.4 HB2 LYS 58 - HA LYS 60 far 0 61 0 - 6.5-8.4 HB2 LYS 58 - HA LYS 62 far 0 65 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (1.43, 4.26, 56.57 ppm; 3.70 A): 4 out of 21 assignments used, quality = 1.00: HG3 LYS 62 + HA LYS 62 OK 94 100 95 99 2.2-3.8 3.8=90, 4.8/334=36...(17) HG3 LYS 60 + HA LYS 60 OK 90 96 95 99 2.3-3.8 3.9=88, 3.0/3073=27...(21) HG2 LYS 60 + HA LYS 60 OK 85 96 90 99 2.1-3.8 3.9=88, 3.0/3073=27...(21) * HG2 LYS 62 + HA LYS 62 OK 79 100 80 99 2.3-4.2 3.8=90, 4.8/334=36...(17) HG3 LYS 60 - HA ARG 61 poor 12 60 20 - 3.2-6.9 HG2 LYS 62 - HA LYS 60 far 5 98 5 - 2.7-10.3 HG3 LYS 62 - HA LYS 60 far 5 98 5 - 3.5-9.8 HG3 LYS 62 - HA ARG 61 far 3 62 5 - 3.3-7.3 HG2 LYS 60 - HA ARG 61 far 0 60 0 - 3.8-6.7 HG2 LYS 62 - HA ARG 61 far 0 62 0 - 3.8-7.8 HG2 LYS 60 - HA LYS 62 far 0 99 0 - 4.2-9.3 HG3 LYS 60 - HA LYS 62 far 0 99 0 - 4.3-9.2 HG3 LYS 58 - HA ARG 61 far 0 43 0 - 7.4-12.5 HG3 ARG 56 - HA ARG 61 far 0 45 0 - 7.5-13.1 HG3 ARG 56 - HA LYS 62 far 0 83 0 - 7.5-15.9 HB2 LYS 27 - HA ARG 61 far 0 52 0 - 7.8-14.4 HG3 LYS 58 - HA LYS 60 far 0 76 0 - 7.9-9.9 HG3 ARG 56 - HA LYS 60 far 0 78 0 - 8.1-11.5 HB2 LYS 27 - HA LYS 62 far 0 92 0 - 8.8-17.0 HG3 LYS 58 - HA LYS 62 far 0 81 0 - 8.9-15.8 HB2 LYS 27 - HA LYS 60 far 0 87 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (1.43, 4.26, 56.57 ppm; 3.70 A): 4 out of 21 assignments used, quality = 1.00: * HG3 LYS 62 + HA LYS 62 OK 94 100 95 99 2.2-3.8 3.8=90, 4.8/334=36...(17) HG3 LYS 60 + HA LYS 60 OK 90 96 95 99 2.3-3.8 3.9=88, 3.0/3073=27...(21) HG2 LYS 60 + HA LYS 60 OK 85 96 90 99 2.1-3.8 3.9=88, 3.0/3073=27...(21) HG2 LYS 62 + HA LYS 62 OK 79 100 80 99 2.3-4.2 3.8=90, 4.8/334=36...(17) HG3 LYS 60 - HA ARG 61 poor 12 60 20 - 3.2-6.9 HG2 LYS 62 - HA LYS 60 far 5 98 5 - 2.7-10.3 HG3 LYS 62 - HA LYS 60 far 5 98 5 - 3.5-9.8 HG3 LYS 62 - HA ARG 61 far 3 62 5 - 3.3-7.3 HG2 LYS 60 - HA ARG 61 far 0 60 0 - 3.8-6.7 HG2 LYS 62 - HA ARG 61 far 0 62 0 - 3.8-7.8 HG2 LYS 60 - HA LYS 62 far 0 99 0 - 4.2-9.3 HG3 LYS 60 - HA LYS 62 far 0 99 0 - 4.3-9.2 HG3 LYS 58 - HA ARG 61 far 0 43 0 - 7.4-12.5 HG3 ARG 56 - HA ARG 61 far 0 45 0 - 7.5-13.1 HG3 ARG 56 - HA LYS 62 far 0 83 0 - 7.5-15.9 HB2 LYS 27 - HA ARG 61 far 0 52 0 - 7.8-14.4 HG3 LYS 58 - HA LYS 60 far 0 76 0 - 7.9-9.9 HG3 ARG 56 - HA LYS 60 far 0 78 0 - 8.1-11.5 HB2 LYS 27 - HA LYS 62 far 0 92 0 - 8.8-17.0 HG3 LYS 58 - HA LYS 62 far 0 81 0 - 8.9-15.8 HB2 LYS 27 - HA LYS 60 far 0 87 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 3077 from cnoeabs.peaks (1.67, 4.26, 56.57 ppm; 4.88 A increased from 3.91 A): 4 out of 15 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 100 100 100 100 2.2-4.8 5.0=94, ~819=40...(16) HD3 LYS 60 + HA LYS 60 OK 93 98 95 100 2.5-5.5 5.2=82, 3.7/3073=33...(29) * HD2 LYS 62 + HA LYS 62 OK 90 100 90 100 2.1-5.5 5.0=94, ~819=40...(13) HD2 LYS 60 + HA LYS 60 OK 88 98 90 100 2.2-5.5 5.2=82, 2978/3.0=45...(29) HD2 LYS 62 - HA LYS 60 far 10 98 10 - 4.2-10.6 HD3 LYS 60 - HA ARG 61 far 3 62 5 - 3.7-8.2 HD2 LYS 60 - HA ARG 61 far 3 62 5 - 2.8-8.0 HD2 LYS 62 - HA ARG 61 far 3 62 5 - 4.1-8.7 HD3 LYS 62 - HA ARG 61 far 3 62 5 - 4.4-8.0 HD3 LYS 60 - HA LYS 62 far 0 100 0 - 5.2-10.0 HD3 LYS 62 - HA LYS 60 far 0 98 0 - 5.4-11.5 HB2 LEU 64 - HA ARG 61 far 0 58 0 - 5.5-12.8 HD2 LYS 60 - HA LYS 62 far 0 100 0 - 5.6-10.5 HB2 LEU 64 - HA LYS 62 far 0 98 0 - 6.2-9.0 HB2 LEU 64 - HA LYS 60 far 0 95 0 - 8.5-15.0 Violated in 0 structures by 0.00 A. Peak 3078 from cnoeabs.peaks (1.67, 4.26, 56.57 ppm; 4.88 A increased from 3.91 A): 4 out of 15 assignments used, quality = 1.00: * HD3 LYS 62 + HA LYS 62 OK 100 100 100 100 2.2-4.8 5.0=94, ~819=40...(16) HD3 LYS 60 + HA LYS 60 OK 93 98 95 100 2.5-5.5 5.2=82, 3.7/3073=33...(29) HD2 LYS 62 + HA LYS 62 OK 90 100 90 100 2.1-5.5 5.0=94, ~819=40...(13) HD2 LYS 60 + HA LYS 60 OK 88 98 90 100 2.2-5.5 5.2=82, 2988/3.0=45...(29) HD2 LYS 62 - HA LYS 60 far 10 98 10 - 4.2-10.6 HD3 LYS 60 - HA ARG 61 far 3 62 5 - 3.7-8.2 HD2 LYS 62 - HA ARG 61 far 3 62 5 - 4.1-8.7 HD3 LYS 62 - HA ARG 61 far 3 62 5 - 4.4-8.0 HD2 LYS 60 - HA ARG 61 far 3 61 5 - 2.8-8.0 HD3 LYS 60 - HA LYS 62 far 0 100 0 - 5.2-10.0 HD3 LYS 62 - HA LYS 60 far 0 98 0 - 5.4-11.5 HB2 LEU 64 - HA ARG 61 far 0 59 0 - 5.5-12.8 HD2 LYS 60 - HA LYS 62 far 0 100 0 - 5.6-10.5 HB2 LEU 64 - HA LYS 62 far 0 99 0 - 6.2-9.0 HB2 LEU 64 - HA LYS 60 far 0 95 0 - 8.5-15.0 Violated in 0 structures by 0.00 A. Peak 3081 from cnoeabs.peaks (8.30, 1.83, 32.70 ppm; 4.84 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.2-4.1 4.0=100 H LYS 62 - HB2 LYS 60 far 14 96 15 - 2.5-7.9 H SER 66 - HB2 LYS 62 far 0 81 0 - 5.5-11.7 H SER 66 - HB2 LYS 60 far 0 74 0 - 7.1-16.2 H ASN 54 - HB2 LYS 62 far 0 99 0 - 9.7-20.2 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (4.26, 1.83, 32.70 ppm; 3.34 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 60 + HB2 LYS 60 OK 95 95 100 100 2.3-3.0 3.0=100 HB THR 59 - HB2 LYS 60 far 0 69 0 - 3.5-7.6 HA LYS 60 - HB2 LYS 62 far 0 100 0 - 4.0-9.3 HA ARG 61 - HB2 LYS 60 far 0 84 0 - 4.1-5.9 HA THR 59 - HB2 LYS 60 far 0 96 0 - 4.2-6.2 HB THR 59 - HB2 LYS 62 far 0 76 0 - 4.4-12.8 HA ARG 61 - HB2 LYS 62 far 0 90 0 - 4.5-6.5 HA LYS 62 - HB2 LYS 60 far 0 96 0 - 4.9-9.6 HA THR 59 - HB2 LYS 62 far 0 100 0 - 5.0-13.4 Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (1.83, 1.83, 32.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 62 + HB2 LYS 62 OK 100 100 - 100 HB2 LYS 60 + HB2 LYS 60 OK 94 94 - 100 Peak 3084 from cnoeabs.peaks (1.77, 1.83, 32.70 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 60 + HB2 LYS 60 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 LYS 62 - HB2 LYS 60 far 0 96 0 - 3.1-10.5 HB3 LYS 60 - HB2 LYS 62 far 0 100 0 - 4.2-10.3 HB2 LYS 58 - HB2 LYS 62 far 0 65 0 - 6.7-15.6 HB2 LYS 58 - HB2 LYS 60 far 0 59 0 - 6.9-9.9 Violated in 0 structures by 0.00 A. Peak 3085 from cnoeabs.peaks (1.43, 1.83, 32.70 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB2 LYS 60 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 94 94 100 100 2.3-3.0 3.0=100 HG2 LYS 60 - HB2 LYS 62 far 10 99 10 - 2.9-10.4 HG3 LYS 60 - HB2 LYS 62 far 5 99 5 - 3.1-10.5 HG2 LYS 62 - HB2 LYS 60 far 0 96 0 - 3.5-11.0 HG3 LYS 62 - HB2 LYS 60 far 0 96 0 - 3.5-10.9 HG3 ARG 56 - HB2 LYS 62 far 0 83 0 - 6.9-17.2 HG3 LYS 58 - HB2 LYS 62 far 0 81 0 - 7.1-16.3 HG3 LYS 58 - HB2 LYS 60 far 0 74 0 - 7.3-11.5 HG3 ARG 56 - HB2 LYS 60 far 0 76 0 - 8.6-13.0 HB2 LYS 27 - HB2 LYS 62 far 0 92 0 - 8.7-18.5 HB2 LYS 27 - HB2 LYS 60 far 0 85 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (1.43, 1.83, 32.70 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB2 LYS 60 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 94 94 100 100 2.3-3.0 3.0=100 HG2 LYS 60 - HB2 LYS 62 far 10 99 10 - 2.9-10.4 HG3 LYS 60 - HB2 LYS 62 far 5 99 5 - 3.1-10.5 HG2 LYS 62 - HB2 LYS 60 far 0 96 0 - 3.5-11.0 HG3 LYS 62 - HB2 LYS 60 far 0 96 0 - 3.5-10.9 HG3 ARG 56 - HB2 LYS 62 far 0 83 0 - 6.9-17.2 HG3 LYS 58 - HB2 LYS 62 far 0 81 0 - 7.1-16.3 HG3 LYS 58 - HB2 LYS 60 far 0 74 0 - 7.3-11.5 HG3 ARG 56 - HB2 LYS 60 far 0 76 0 - 8.6-13.0 HB2 LYS 27 - HB2 LYS 62 far 0 92 0 - 8.7-18.5 HB2 LYS 27 - HB2 LYS 60 far 0 85 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (1.67, 1.83, 32.70 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.7 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 90 100 90 100 2.1-3.9 3.4=100 HD2 LYS 60 + HB2 LYS 60 OK 82 96 85 100 2.5-4.2 3.7=95, 2978/1.8=44...(57) HD3 LYS 60 + HB2 LYS 60 OK 72 96 75 100 2.1-4.2 3.7=95, ~2978=29...(57) HD3 LYS 60 - HB2 LYS 62 far 0 100 0 - 4.1-11.0 HD2 LYS 60 - HB2 LYS 62 far 0 100 0 - 4.7-11.2 HD2 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 62 far 0 98 0 - 5.7-10.3 HD3 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.8-12.0 HB2 LEU 64 - HB2 LYS 60 far 0 93 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 3088 from cnoeabs.peaks (1.67, 1.83, 32.70 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: HD2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.7 3.4=100 * HD3 LYS 62 + HB2 LYS 62 OK 90 100 90 100 2.1-3.9 3.4=100 HD2 LYS 60 + HB2 LYS 60 OK 81 96 85 100 2.5-4.2 3.7=95, 2988/1.8=44...(57) HD3 LYS 60 + HB2 LYS 60 OK 72 96 75 100 2.1-4.2 3.7=95, ~2978=29...(57) HD3 LYS 60 - HB2 LYS 62 far 0 100 0 - 4.1-11.0 HD2 LYS 60 - HB2 LYS 62 far 0 100 0 - 4.7-11.2 HD2 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 62 far 0 99 0 - 5.7-10.3 HD3 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.8-12.0 HB2 LEU 64 - HB2 LYS 60 far 0 93 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (8.30, 1.77, 32.70 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.2-3.5 4.0=100 H LYS 62 - HB3 LYS 60 far 15 99 15 - 3.1-7.8 H SER 66 - HB3 LYS 62 far 4 81 5 - 3.9-11.2 H SER 66 - HB3 LYS 60 far 0 79 0 - 6.3-16.4 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (4.26, 1.77, 32.70 ppm; 3.24 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.4-3.0 3.0=100 HB THR 59 - HB3 LYS 60 far 4 74 5 - 3.2-6.7 HA ARG 61 - HB3 LYS 62 far 0 90 0 - 4.1-6.2 HA ARG 61 - HB3 LYS 60 far 0 88 0 - 4.2-6.0 HA THR 59 - HB3 LYS 60 far 0 99 0 - 4.3-5.2 HB THR 59 - HB3 LYS 62 far 0 76 0 - 4.4-12.3 HA LYS 60 - HB3 LYS 62 far 0 100 0 - 4.8-8.8 HA LYS 62 - HB3 LYS 60 far 0 99 0 - 5.3-8.8 HA THR 59 - HB3 LYS 62 far 0 100 0 - 6.1-12.3 Violated in 0 structures by 0.00 A. Peak 3093 from cnoeabs.peaks (1.83, 1.77, 32.70 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 60 + HB3 LYS 60 OK 98 98 100 100 1.8-1.8 1.8=100 HB2 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.1-10.5 HB2 ARG 61 - HB3 LYS 62 far 0 89 0 - 3.7-7.2 HB2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.2-10.3 HB2 ARG 61 - HB3 LYS 60 far 0 87 0 - 4.6-7.5 HB2 LYS 58 - HB3 LYS 62 far 0 68 0 - 6.3-14.9 HB2 LYS 58 - HB3 LYS 60 far 0 66 0 - 6.4-9.8 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (1.77, 1.77, 32.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 62 + HB3 LYS 62 OK 100 100 - 100 HB3 LYS 60 + HB3 LYS 60 OK 99 99 - 100 Peak 3095 from cnoeabs.peaks (1.43, 1.77, 32.70 ppm; 3.18 A): 4 out of 13 assignments used, quality = 1.00: HG3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.1-9.5 HG3 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.9-10.7 HG3 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.6-10.0 HG2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.9-10.5 HG3 LYS 58 - HB3 LYS 62 far 0 81 0 - 5.9-15.5 HG3 LYS 58 - HB3 LYS 60 far 0 79 0 - 6.7-11.1 HG3 ARG 56 - HB3 LYS 62 far 0 83 0 - 7.2-17.1 HB2 LYS 27 - HB3 LYS 62 far 0 92 0 - 7.7-19.0 HG3 ARG 56 - HB3 LYS 60 far 0 81 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (1.43, 1.77, 32.70 ppm; 3.18 A): 4 out of 13 assignments used, quality = 1.00: * HG3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.1-9.5 HG3 LYS 60 - HB3 LYS 62 far 0 99 0 - 3.9-10.7 HG3 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.6-10.0 HG2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.9-10.5 HG3 LYS 58 - HB3 LYS 62 far 0 81 0 - 5.9-15.5 HG3 LYS 58 - HB3 LYS 60 far 0 79 0 - 6.7-11.1 HG3 ARG 56 - HB3 LYS 62 far 0 83 0 - 7.2-17.1 HB2 LYS 27 - HB3 LYS 62 far 0 92 0 - 7.7-19.0 HG3 ARG 56 - HB3 LYS 60 far 0 81 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (1.67, 1.77, 32.70 ppm; 3.68 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.5-3.8 3.4=100 HD3 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.3-3.7 3.7=98, 1.8/2978=44...(53) HD2 LYS 60 + HB3 LYS 60 OK 89 99 90 100 2.1-4.1 3.7=98, 1.8/3134=26...(53) * HD2 LYS 62 + HB3 LYS 62 OK 60 100 60 100 2.2-4.1 3.4=100 HD2 LYS 60 - HB3 LYS 62 far 5 100 5 - 3.8-11.1 HD3 LYS 60 - HB3 LYS 62 far 0 100 0 - 4.1-10.4 HD3 LYS 62 - HB3 LYS 60 far 0 99 0 - 5.6-11.8 HB2 LEU 64 - HB3 LYS 62 far 0 98 0 - 6.3-10.5 HD2 LYS 62 - HB3 LYS 60 far 0 99 0 - 6.6-11.0 HB2 LEU 64 - HB3 LYS 60 far 0 97 0 - 8.6-16.9 Violated in 0 structures by 0.00 A. Peak 3098 from cnoeabs.peaks (1.67, 1.77, 32.70 ppm; 3.68 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.5-3.8 3.4=100 HD3 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.3-3.7 3.7=98, 1.8/2978=44...(53) HD2 LYS 60 + HB3 LYS 60 OK 89 99 90 100 2.1-4.1 3.7=98, 1.8/3134=26...(53) HD2 LYS 62 + HB3 LYS 62 OK 60 100 60 100 2.2-4.1 3.4=100 HD2 LYS 60 - HB3 LYS 62 far 5 100 5 - 3.8-11.1 HD3 LYS 60 - HB3 LYS 62 far 0 100 0 - 4.1-10.4 HD3 LYS 62 - HB3 LYS 60 far 0 99 0 - 5.6-11.8 HB2 LEU 64 - HB3 LYS 62 far 0 99 0 - 6.3-10.5 HD2 LYS 62 - HB3 LYS 60 far 0 99 0 - 6.6-11.0 HB2 LEU 64 - HB3 LYS 60 far 0 97 0 - 8.6-16.9 Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (4.26, 1.43, 24.91 ppm; 4.55 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-3.8 3.8=100 * HA LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-4.2 3.8=100 HA LYS 60 + HG3 LYS 60 OK 79 79 100 100 2.3-3.8 3.9=100 HA LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.1-3.8 3.9=100 HA ARG 61 - HG3 LYS 62 poor 18 90 20 - 3.3-7.3 HA THR 59 - HG2 LYS 60 poor 16 79 20 - 3.6-7.0 HA ARG 61 - HG2 LYS 60 poor 15 66 45 50 3.8-6.7 ~318=36, ~317=13, ~810=8 HA ARG 61 - HG2 LYS 62 far 14 90 15 - 3.8-7.8 HA ARG 61 - HG3 LYS 60 poor 13 67 40 50 3.2-6.9 ~318=36, ~317=13, ~810=8 HA LYS 60 - HG3 LYS 62 far 10 100 10 - 3.5-9.8 HA THR 59 - HG3 LYS 60 far 8 81 10 - 3.6-7.5 HB THR 59 - HG2 LYS 60 far 5 53 10 - 2.7-8.3 HA LYS 60 - HG2 LYS 62 far 5 100 5 - 2.7-10.3 HA LYS 62 - HG3 LYS 60 far 4 81 5 - 4.3-9.2 HA LYS 62 - HG2 LYS 60 far 4 79 5 - 4.2-9.3 HB THR 59 - HG2 LYS 62 far 4 76 5 - 2.7-11.5 HB THR 59 - HG3 LYS 62 far 4 76 5 - 3.1-12.4 HB THR 59 - HG3 LYS 60 far 3 54 5 - 3.3-8.6 HA THR 59 - HG3 LYS 62 far 0 100 0 - 4.9-13.2 HA THR 59 - HG2 LYS 62 far 0 100 0 - 5.0-13.4 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (1.83, 1.43, 24.91 ppm; 4.06 A): 4 out of 17 assignments used, quality = 1.00: * HB2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 60 + HG3 LYS 60 OK 78 78 100 100 2.2-3.0 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 62 - HG2 LYS 60 far 8 79 10 - 2.9-10.4 HB2 LYS 60 - HG2 LYS 62 far 5 99 5 - 3.5-11.0 HB2 LYS 60 - HG3 LYS 62 far 5 99 5 - 3.5-10.9 HB2 LYS 62 - HG3 LYS 60 far 4 81 5 - 3.1-10.5 HB2 ARG 61 - HG3 LYS 60 far 3 66 5 - 3.7-8.9 HB2 ARG 61 - HG2 LYS 60 far 0 64 0 - 4.2-7.8 HB2 ARG 61 - HG2 LYS 62 far 0 89 0 - 4.4-8.2 HB2 ARG 61 - HG3 LYS 62 far 0 89 0 - 4.7-7.4 HB2 LYS 58 - HG2 LYS 60 far 0 47 0 - 5.8-11.1 HB2 LYS 58 - HG3 LYS 60 far 0 48 0 - 5.9-10.7 HB2 LYS 58 - HG3 LYS 62 far 0 68 0 - 6.6-16.2 HB2 LYS 58 - HG2 LYS 62 far 0 68 0 - 7.1-17.1 HD2 LYS 22 - HG2 LYS 39 far 0 96 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (1.77, 1.43, 24.91 ppm; 4.10 A): 4 out of 13 assignments used, quality = 1.00: HB3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HB3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 3.0=100 HB3 LYS 62 - HG2 LYS 60 far 8 79 10 - 3.1-9.5 HB3 LYS 62 - HG3 LYS 60 far 4 81 5 - 3.9-10.7 HB3 LYS 60 - HG3 LYS 62 far 0 100 0 - 4.6-10.0 HB3 LYS 60 - HG2 LYS 62 far 0 100 0 - 4.9-10.5 HB2 LYS 58 - HG2 LYS 60 far 0 45 0 - 5.8-11.1 HB2 LYS 58 - HG3 LYS 60 far 0 46 0 - 5.9-10.7 HB2 LYS 58 - HG3 LYS 62 far 0 65 0 - 6.6-16.2 HB2 LYS 58 - HG2 LYS 62 far 0 65 0 - 7.1-17.1 HB2 PRO 32 - HG2 LYS 39 far 0 77 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 3105 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Peak 3106 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Reference assignment not found: HG3 LYS 62 - HG2 LYS 62 Peak 3107 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 24 assignments used, quality = 1.00: HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD3 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.4-3.0 3.0=100 HD2 LYS 60 - HG3 LYS 62 far 5 100 5 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 79 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 98 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 98 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 95 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 97 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 76 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 75 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 24 assignments used, quality = 1.00: * HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD3 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.4-3.0 3.0=100 HD2 LYS 60 - HG3 LYS 62 far 5 100 5 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 79 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 99 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 99 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 96 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 98 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 77 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 76 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3109 from cnoeabs.peaks (2.98, 1.43, 24.91 ppm; 4.38 A): 10 out of 18 assignments used, quality = 1.00: * HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.2-3.8 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.4-3.9 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-3.8 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.1-4.2 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.2-4.2 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.1-3.8 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.4-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-4.1 3.9=100 HE3 LYS 62 - HG3 LYS 60 far 4 80 5 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 100 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 3110 from cnoeabs.peaks (2.99, 1.43, 24.91 ppm; 4.37 A): 10 out of 18 assignments used, quality = 1.00: * HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-3.8 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.2-3.8 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.4-3.9 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.1-4.2 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.2-4.2 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.1-3.8 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.4-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.5-4.1 3.9=100 HE3 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 100 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 80 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 3112 from cnoeabs.peaks (4.26, 1.43, 24.91 ppm; 4.55 A): 4 out of 20 assignments used, quality = 1.00: * HA LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-3.8 3.8=100 HA LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-4.2 3.8=100 HA LYS 60 + HG3 LYS 60 OK 79 79 100 100 2.3-3.8 3.9=100 HA LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.1-3.8 3.9=100 HA ARG 61 - HG3 LYS 62 poor 18 90 20 - 3.3-7.3 HA THR 59 - HG2 LYS 60 poor 16 79 20 - 3.6-7.0 HA ARG 61 - HG2 LYS 60 poor 15 66 45 50 3.8-6.7 ~318=36, ~317=13, ~810=8 HA ARG 61 - HG2 LYS 62 far 14 90 15 - 3.8-7.8 HA ARG 61 - HG3 LYS 60 poor 13 67 40 50 3.2-6.9 ~318=36, ~317=13, ~810=8 HA LYS 60 - HG3 LYS 62 far 10 100 10 - 3.5-9.8 HA THR 59 - HG3 LYS 60 far 8 81 10 - 3.6-7.5 HB THR 59 - HG2 LYS 60 far 5 53 10 - 2.7-8.3 HA LYS 60 - HG2 LYS 62 far 5 100 5 - 2.7-10.3 HA LYS 62 - HG3 LYS 60 far 4 81 5 - 4.3-9.2 HA LYS 62 - HG2 LYS 60 far 4 79 5 - 4.2-9.3 HB THR 59 - HG2 LYS 62 far 4 76 5 - 2.7-11.5 HB THR 59 - HG3 LYS 62 far 4 76 5 - 3.1-12.4 HB THR 59 - HG3 LYS 60 far 3 54 5 - 3.3-8.6 HA THR 59 - HG3 LYS 62 far 0 100 0 - 4.9-13.2 HA THR 59 - HG2 LYS 62 far 0 100 0 - 5.0-13.4 Violated in 0 structures by 0.00 A. Peak 3113 from cnoeabs.peaks (1.83, 1.43, 24.91 ppm; 4.06 A): 4 out of 17 assignments used, quality = 1.00: HB2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 60 + HG3 LYS 60 OK 78 78 100 100 2.2-3.0 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 62 - HG2 LYS 60 far 8 79 10 - 2.9-10.4 HB2 LYS 60 - HG2 LYS 62 far 5 99 5 - 3.5-11.0 HB2 LYS 60 - HG3 LYS 62 far 5 99 5 - 3.5-10.9 HB2 LYS 62 - HG3 LYS 60 far 4 81 5 - 3.1-10.5 HB2 ARG 61 - HG3 LYS 60 far 3 66 5 - 3.7-8.9 HB2 ARG 61 - HG2 LYS 60 far 0 64 0 - 4.2-7.8 HB2 ARG 61 - HG2 LYS 62 far 0 89 0 - 4.4-8.2 HB2 ARG 61 - HG3 LYS 62 far 0 89 0 - 4.7-7.4 HB2 LYS 58 - HG2 LYS 60 far 0 47 0 - 5.8-11.1 HB2 LYS 58 - HG3 LYS 60 far 0 48 0 - 5.9-10.7 HB2 LYS 58 - HG3 LYS 62 far 0 68 0 - 6.6-16.2 HB2 LYS 58 - HG2 LYS 62 far 0 68 0 - 7.1-17.1 HD2 LYS 22 - HG2 LYS 39 far 0 96 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 3114 from cnoeabs.peaks (1.77, 1.43, 24.91 ppm; 4.10 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 3.0=100 HB3 LYS 62 - HG2 LYS 60 far 8 79 10 - 3.1-9.5 HB3 LYS 62 - HG3 LYS 60 far 4 81 5 - 3.9-10.7 HB3 LYS 60 - HG3 LYS 62 far 0 100 0 - 4.6-10.0 HB3 LYS 60 - HG2 LYS 62 far 0 100 0 - 4.9-10.5 HB2 LYS 58 - HG2 LYS 60 far 0 45 0 - 5.8-11.1 HB2 LYS 58 - HG3 LYS 60 far 0 46 0 - 5.9-10.7 HB2 LYS 58 - HG3 LYS 62 far 0 65 0 - 6.6-16.2 HB2 LYS 58 - HG2 LYS 62 far 0 65 0 - 7.1-17.1 HB2 PRO 32 - HG2 LYS 39 far 0 77 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 3115 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Reference assignment not found: HG2 LYS 62 - HG3 LYS 62 Peak 3116 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 * HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Peak 3117 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 24 assignments used, quality = 1.00: * HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD3 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.4-3.0 3.0=100 HD2 LYS 60 - HG3 LYS 62 far 5 100 5 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 79 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 98 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 98 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 95 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 97 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 76 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 75 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 24 assignments used, quality = 1.00: HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD3 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.4-3.0 3.0=100 HD2 LYS 60 - HG3 LYS 62 far 5 100 5 - 3.6-12.4 HD3 LYS 62 - HG2 LYS 60 far 0 79 0 - 3.9-11.9 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 4.7-12.7 HB2 LEU 64 - HG2 LYS 62 far 0 99 0 - 4.8-10.8 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.8-11.6 HD3 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.0-12.0 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.0-11.9 HB2 LEU 64 - HG3 LYS 62 far 0 99 0 - 5.2-10.6 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.3-11.4 HD3 LYS 42 - HG2 LYS 39 far 0 96 0 - 5.9-8.8 HD3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.0-12.1 HB2 LEU 37 - HG2 LYS 39 far 0 98 0 - 6.2-7.5 HB2 LEU 64 - HG3 LYS 60 far 0 77 0 - 9.2-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 76 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (2.98, 1.43, 24.91 ppm; 4.38 A): 10 out of 18 assignments used, quality = 1.00: HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.2-3.8 3.7=100 * HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.4-3.9 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-3.8 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.1-4.2 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.2-4.2 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.1-3.8 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.4-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-4.1 3.9=100 HE3 LYS 62 - HG3 LYS 60 far 4 80 5 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 100 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 3120 from cnoeabs.peaks (2.99, 1.43, 24.91 ppm; 4.37 A): 10 out of 18 assignments used, quality = 1.00: HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-3.8 3.7=100 * HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.2-3.8 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.4-3.9 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.1-4.2 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.2-4.2 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.1-3.8 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.4-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.5-4.1 3.9=100 HE3 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.0-13.6 HE2 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 79 0 - 4.6-13.7 HE3 LYS 60 - HG3 LYS 62 far 0 100 0 - 4.9-13.0 HE2 LYS 62 - HG3 LYS 60 far 0 80 0 - 5.1-13.1 HE2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.4-13.8 HE3 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.4-12.8 HE2 LYS 60 - HG2 LYS 62 far 0 100 0 - 6.6-13.7 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 4.72 A increased from 3.98 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.2-4.8 5.0=85, ~819=37...(16) * HA LYS 62 + HD2 LYS 62 OK 89 100 90 99 2.1-5.5 5.0=85, ~819=37...(13) HA LYS 60 + HD3 LYS 60 OK 85 100 85 100 2.5-5.5 5.2=75, 3073/3.7=32...(29) HA LYS 60 + HD2 LYS 60 OK 74 99 75 100 2.2-5.5 5.2=75, 3.0/2988=44...(29) HA LYS 60 - HD2 LYS 62 far 10 100 10 - 4.2-10.6 HA THR 59 - HD2 LYS 60 far 5 100 5 - 3.3-7.6 HA THR 59 - HD3 LYS 60 far 5 100 5 - 4.1-8.2 HA ARG 61 - HD3 LYS 60 far 5 90 5 - 3.7-8.2 HA ARG 61 - HD2 LYS 62 far 5 90 5 - 4.1-8.7 HA ARG 61 - HD3 LYS 62 far 5 90 5 - 4.4-8.0 HA ARG 61 - HD2 LYS 60 far 4 90 5 - 2.8-8.0 HB THR 59 - HD3 LYS 62 far 4 76 5 - 4.5-13.5 HB THR 59 - HD2 LYS 60 far 0 75 0 - 4.9-8.9 HA LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-10.0 HB THR 59 - HD2 LYS 62 far 0 76 0 - 5.2-13.4 HA THR 59 - HD3 LYS 62 far 0 100 0 - 5.2-14.4 HA LYS 60 - HD3 LYS 62 far 0 100 0 - 5.4-11.5 HB THR 59 - HD3 LYS 60 far 0 76 0 - 5.5-10.0 HA LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-10.5 HA THR 59 - HD2 LYS 62 far 0 100 0 - 7.0-14.2 Violated in 0 structures by 0.00 A. Peak 3124 from cnoeabs.peaks (1.77, 1.67, 28.78 ppm; 2.59 A): 3 out of 12 assignments used, quality = 0.66: HB3 LYS 60 + HD2 LYS 60 OK 41 100 50 82 2.1-4.1 3.7=34, 2951/1.8=10...(38) * HB3 LYS 62 + HD2 LYS 62 OK 24 100 30 81 2.2-4.1 3.4=43, 819/5.8=9...(40) HB3 LYS 60 + HD3 LYS 60 OK 24 100 30 81 2.3-3.7 3.7=34, 2951/1.8=9...(38) HB3 LYS 62 - HD3 LYS 62 far 15 100 15 - 2.5-3.8 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.8-11.1 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.1-10.4 HB2 LYS 58 - HD2 LYS 60 far 0 65 0 - 5.1-11.7 HB3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.6-11.8 HB2 LYS 58 - HD3 LYS 60 far 0 65 0 - 6.6-12.4 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.6-11.0 HB2 LYS 58 - HD3 LYS 62 far 0 65 0 - 7.0-17.4 HB2 LYS 58 - HD2 LYS 62 far 0 65 0 - 7.2-17.2 Violated in 1 structures by 0.02 A. Peak 3125 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 92 100 95 97 2.3-3.0 3.0=91, 2.9/3134=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 99 80 99 2.3-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 77 100 80 97 2.3-3.0 3.0=91, 3156/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 99 65 99 2.3-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 59 99 60 99 2.5-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 60 + HD2 LYS 60 OK 59 99 60 99 2.5-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 62 + HD3 LYS 62 OK 34 100 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) * HG2 LYS 62 + HD2 LYS 62 OK 34 100 35 96 2.5-3.0 3.0=91, 2.9/3134=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 99 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 70 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 99 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 92 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 81 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 81 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 80 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 3126 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: * HG3 LYS 62 + HD2 LYS 62 OK 92 100 95 97 2.3-3.0 3.0=91, 2.9/3134=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 99 80 99 2.3-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 77 100 80 97 2.3-3.0 3.0=91, 3156/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 99 65 99 2.3-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 59 99 60 99 2.5-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 60 + HD2 LYS 60 OK 59 99 60 99 2.5-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 62 + HD3 LYS 62 OK 34 100 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 34 100 35 96 2.5-3.0 3.0=91, 2.9/3134=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 99 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 70 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 99 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 92 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 81 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 81 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 80 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 * HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 67 67 - 100 Peak 3128 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 68 68 - 100 Reference assignment not found: HD3 LYS 62 - HD2 LYS 62 Peak 3129 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 72 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 72 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3130 from cnoeabs.peaks (2.99, 1.67, 28.78 ppm; 2.93 A): 8 out of 18 assignments used, quality = 1.00: * HE3 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 1.8/3012=7...(35) HE3 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3011/1.8=13...(34) HE2 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 1.8/3011=13...(35) HE3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.4-3.0 3.0=95, 3011/1.8=10...(42) HE2 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3155/3.0=8...(34) HE3 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.3-3.0 3.0=95, 4.9/2988=10...(42) HE2 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.3-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 60 + HD2 LYS 60 OK 98 100 100 99 2.4-3.0 3.0=95, 1.8/3001=10...(42) HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 71 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 71 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3132 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 4.72 A increased from 3.98 A): 4 out of 20 assignments used, quality = 1.00: * HA LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.2-4.8 5.0=85, ~819=37...(16) HA LYS 62 + HD2 LYS 62 OK 89 100 90 99 2.1-5.5 5.0=85, ~819=37...(13) HA LYS 60 + HD3 LYS 60 OK 85 100 85 100 2.5-5.5 5.2=75, 3073/3.7=32...(29) HA LYS 60 + HD2 LYS 60 OK 74 99 75 100 2.2-5.5 5.2=75, 3.0/2988=44...(29) HA LYS 60 - HD2 LYS 62 far 10 100 10 - 4.2-10.6 HA THR 59 - HD3 LYS 60 far 5 100 5 - 4.1-8.2 HA THR 59 - HD2 LYS 60 far 5 100 5 - 3.3-7.6 HA ARG 61 - HD3 LYS 60 far 5 90 5 - 3.7-8.2 HA ARG 61 - HD3 LYS 62 far 5 90 5 - 4.4-8.0 HA ARG 61 - HD2 LYS 62 far 5 90 5 - 4.1-8.7 HA ARG 61 - HD2 LYS 60 far 4 89 5 - 2.8-8.0 HB THR 59 - HD3 LYS 62 far 4 76 5 - 4.5-13.5 HB THR 59 - HD2 LYS 60 far 0 75 0 - 4.9-8.9 HA LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-10.0 HB THR 59 - HD2 LYS 62 far 0 76 0 - 5.2-13.4 HA THR 59 - HD3 LYS 62 far 0 100 0 - 5.2-14.4 HA LYS 60 - HD3 LYS 62 far 0 100 0 - 5.4-11.5 HB THR 59 - HD3 LYS 60 far 0 76 0 - 5.5-10.0 HA LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-10.5 HA THR 59 - HD2 LYS 62 far 0 100 0 - 7.0-14.2 Violated in 0 structures by 0.00 A. Peak 3134 from cnoeabs.peaks (1.77, 1.67, 28.78 ppm; 2.59 A): 3 out of 12 assignments used, quality = 0.66: HB3 LYS 60 + HD2 LYS 60 OK 41 100 50 82 2.1-4.1 3.7=34, 2951/1.8=10...(38) HB3 LYS 62 + HD2 LYS 62 OK 24 100 30 81 2.2-4.1 3.4=43, 819/5.8=9...(40) HB3 LYS 60 + HD3 LYS 60 OK 24 100 30 81 2.3-3.7 3.7=34, 2951/1.8=9...(38) ! HB3 LYS 62 - HD3 LYS 62 far 15 100 15 - 2.5-3.8 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.8-11.1 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.1-10.4 HB2 LYS 58 - HD2 LYS 60 far 0 64 0 - 5.1-11.7 HB3 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.6-11.8 HB2 LYS 58 - HD3 LYS 60 far 0 65 0 - 6.6-12.4 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.6-11.0 HB2 LYS 58 - HD3 LYS 62 far 0 65 0 - 7.0-17.4 HB2 LYS 58 - HD2 LYS 62 far 0 65 0 - 7.2-17.2 Violated in 1 structures by 0.02 A. Peak 3135 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 92 100 95 97 2.3-3.0 3.0=91, 2.9/3134=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 99 80 99 2.3-3.0 2.9=93, 3.0/3134=14...(56) * HG2 LYS 62 + HD3 LYS 62 OK 77 100 80 97 2.3-3.0 3.0=91, 3156/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 99 65 99 2.3-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 59 99 60 99 2.5-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 60 + HD2 LYS 60 OK 59 98 60 99 2.5-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 62 + HD3 LYS 62 OK 34 100 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 34 100 35 96 2.5-3.0 3.0=91, 2.9/3134=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 99 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 99 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 74 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 92 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 80 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 80 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 81 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 3136 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 62 + HD2 LYS 62 OK 92 100 95 97 2.3-3.0 3.0=91, 2.9/3134=14...(30) HG2 LYS 60 + HD3 LYS 60 OK 79 99 80 99 2.3-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 62 + HD3 LYS 62 OK 77 100 80 97 2.3-3.0 3.0=91, 3156/3.0=7...(33) HG3 LYS 60 + HD2 LYS 60 OK 64 99 65 99 2.3-3.0 2.9=93, 3.0/2988=23...(56) HG3 LYS 60 + HD3 LYS 60 OK 59 99 60 99 2.5-3.0 2.9=93, 3.0/3134=14...(56) HG2 LYS 60 + HD2 LYS 60 OK 59 98 60 99 2.5-3.0 2.9=93, 3.0/2988=23...(56) * HG3 LYS 62 + HD3 LYS 62 OK 34 100 35 97 2.5-3.0 3.0=91, 2962/1.8=8...(33) HG2 LYS 62 + HD2 LYS 62 OK 34 100 35 96 2.5-3.0 3.0=91, 2.9/3134=14...(30) HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 3.6-12.4 HG2 LYS 60 - HD3 LYS 62 far 0 99 0 - 3.9-11.9 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 4.6-7.7 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.7-12.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 4.8-11.6 HG3 LYS 60 - HD3 LYS 62 far 0 99 0 - 5.0-12.0 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.0-11.9 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.3-11.4 HG2 LYS 39 - HD3 LYS 42 far 0 74 0 - 5.9-8.8 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.0-12.1 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 6.3-17.8 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.5-13.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.2-18.9 HB2 LYS 27 - HD3 LYS 62 far 0 92 0 - 7.5-18.3 HG3 LYS 58 - HD3 LYS 60 far 0 80 0 - 7.6-14.0 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 7.7-19.7 HG3 LYS 58 - HD2 LYS 62 far 0 80 0 - 8.5-18.1 HG3 LYS 58 - HD3 LYS 62 far 0 81 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 3137 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 69 69 - 100 Reference assignment not found: HD2 LYS 62 - HD3 LYS 62 Peak 3138 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 70 70 - 100 Peak 3139 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 74 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 74 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (2.99, 1.67, 28.78 ppm; 2.93 A): 8 out of 18 assignments used, quality = 1.00: HE3 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 1.8/3012=7...(35) * HE3 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3011/1.8=13...(34) HE2 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 1.8/3011=13...(35) HE2 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3155/3.0=8...(34) HE3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.4-3.0 3.0=95, 3011/1.8=10...(42) HE2 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.3-3.0 3.0=95, 3011/1.8=8...(42) HE3 LYS 60 + HD2 LYS 60 OK 98 100 100 99 2.3-3.0 3.0=95, 4.9/2988=10...(42) HE2 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.4-3.0 3.0=95, 1.8/3001=10...(42) HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 3.9-14.5 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.4-14.7 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-14.8 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-15.7 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 5.5-14.2 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.6-13.9 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.1-14.1 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 6.4-13.6 HE3 LYS 39 - HD3 LYS 42 far 0 73 0 - 7.5-12.4 HE2 LYS 39 - HD3 LYS 42 far 0 73 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (1.83, 2.98, 42.11 ppm; 4.70 A increased from 3.95 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 62 + HE2 LYS 62 OK 90 100 90 100 2.5-5.5 4.6=100 HB2 LYS 60 + HE3 LYS 60 OK 89 99 90 100 3.1-5.5 4.9=87, ~2978=31...(53) HB2 LYS 62 + HE3 LYS 62 OK 85 100 85 100 2.9-5.5 4.6=100 HB2 LYS 60 + HE2 LYS 60 OK 84 98 85 100 2.0-5.5 4.9=87, ~2978=31...(53) HB2 LYS 62 - HE2 LYS 60 far 5 100 5 - 4.3-11.6 HB2 LYS 60 - HE3 LYS 62 far 5 98 5 - 4.5-13.0 HB2 ARG 61 - HE2 LYS 62 far 4 89 5 - 4.3-10.0 HB2 ARG 61 - HE3 LYS 60 far 4 88 5 - 4.7-10.3 HB2 LYS 58 - HE3 LYS 60 far 0 67 0 - 5.0-13.1 HB2 LYS 58 - HE3 LYS 62 far 0 67 0 - 5.1-17.8 HB2 ARG 61 - HE2 LYS 60 far 0 88 0 - 5.2-9.7 HB2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.5-12.3 HB2 LYS 58 - HE2 LYS 60 far 0 67 0 - 5.8-12.8 HB2 ARG 61 - HE3 LYS 62 far 0 88 0 - 5.9-10.5 HB2 LYS 58 - HE2 LYS 62 far 0 68 0 - 6.0-18.5 HB2 LYS 60 - HE2 LYS 62 far 0 99 0 - 6.1-12.9 HB3 GLN 47 - HE2 LYS 49 far 0 99 0 - 8.1-11.4 HB3 GLN 47 - HE3 LYS 49 far 0 99 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 3144 from cnoeabs.peaks (1.77, 2.98, 42.11 ppm; 4.82 A increased from 4.06 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LYS 62 + HE2 LYS 62 OK 100 100 100 100 2.0-4.9 4.6=100 HB3 LYS 60 + HE3 LYS 60 OK 95 100 95 100 2.4-5.5 4.9=94, 2978/3.0=45...(47) HB3 LYS 60 + HE2 LYS 60 OK 95 100 95 100 2.0-5.0 4.9=94, 2978/3.0=45...(47) HB3 LYS 62 + HE3 LYS 62 OK 85 100 85 100 2.2-5.4 4.6=100 HB2 LYS 58 - HE3 LYS 60 far 0 65 0 - 5.0-13.1 HB3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.1-11.8 HB2 LYS 58 - HE3 LYS 62 far 0 64 0 - 5.1-17.8 HB3 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.4-11.6 HB2 LYS 58 - HE2 LYS 60 far 0 64 0 - 5.8-12.8 HB3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.8-12.3 HB3 LYS 60 - HE3 LYS 62 far 0 100 0 - 5.8-12.4 HB2 LYS 58 - HE2 LYS 62 far 0 65 0 - 6.0-18.5 HB2 PRO 32 - HE3 LYS 39 far 0 50 0 - 7.2-11.0 HB2 PRO 32 - HE2 LYS 39 far 0 50 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 3145 from cnoeabs.peaks (1.43, 2.98, 42.11 ppm; 3.24 A): 9 out of 30 assignments used, quality = 1.00: * HG2 LYS 62 + HE2 LYS 62 OK 77 100 85 90 2.2-3.8 3.7=65, 3135/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 54 100 60 90 2.4-3.9 3.7=65, 3136/3.0=11...(29) HG2 LYS 62 + HE3 LYS 62 OK 50 100 55 91 2.1-3.8 3.7=65, 3.0/3011=11...(29) HG3 LYS 62 + HE3 LYS 62 OK 49 100 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 47 98 50 97 2.5-4.1 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE2 LYS 60 OK 43 99 45 97 2.4-4.2 3.9=56, 2.9/3011=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 43 99 45 96 2.3-4.2 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 38 99 40 97 2.1-3.8 3.9=56, 2.9/3011=8...(54) HG2 LYS 39 + HE3 LYS 39 OK 24 70 35 97 2.2-4.2 3.6=72, ~2050=19...(39) HG2 LYS 39 - HE2 LYS 39 poor 17 70 25 - 2.1-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 99 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 98 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 100 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 83 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 82 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 80 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 81 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 80 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 92 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 91 0 - 7.8-19.8 HB3 LEU 29 - HE2 LYS 49 far 0 60 0 - 8.1-10.7 HG3 LYS 58 - HE2 LYS 60 far 0 79 0 - 8.2-14.3 HB3 LEU 29 - HE3 LYS 49 far 0 60 0 - 9.4-11.1 HB2 LYS 27 - HE2 LYS 60 far 0 91 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 82 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3146 from cnoeabs.peaks (1.43, 2.98, 42.11 ppm; 3.24 A): 9 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 77 100 85 90 2.2-3.8 3.7=65, 3135/3.0=9...(29) * HG3 LYS 62 + HE2 LYS 62 OK 54 100 60 90 2.4-3.9 3.7=65, 3136/3.0=11...(29) HG2 LYS 62 + HE3 LYS 62 OK 50 100 55 91 2.1-3.8 3.7=65, 3.0/3011=11...(29) HG3 LYS 62 + HE3 LYS 62 OK 49 100 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 47 98 50 97 2.5-4.1 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE2 LYS 60 OK 43 99 45 97 2.4-4.2 3.9=56, 2.9/3011=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 43 99 45 96 2.3-4.2 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 38 99 40 97 2.1-3.8 3.9=56, 2.9/3011=8...(54) HG2 LYS 39 + HE3 LYS 39 OK 24 70 35 97 2.2-4.2 3.6=72, ~2050=19...(39) HG2 LYS 39 - HE2 LYS 39 poor 17 70 25 - 2.1-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 99 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 98 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 100 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 83 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 82 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 80 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 81 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 80 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 92 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 91 0 - 7.8-19.8 HB3 LEU 29 - HE2 LYS 49 far 0 60 0 - 8.1-10.7 HG3 LYS 58 - HE2 LYS 60 far 0 79 0 - 8.2-14.3 HB3 LEU 29 - HE3 LYS 49 far 0 60 0 - 9.4-11.1 HB2 LYS 27 - HE2 LYS 60 far 0 91 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 82 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3147 from cnoeabs.peaks (1.67, 2.98, 42.11 ppm; 2.93 A): 12 out of 28 assignments used, quality = 1.00: * HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 62 + HE3 LYS 62 OK 98 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE3 LYS 62 OK 98 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(28) HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 2978/4.9=10...(36) HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 2978/4.9=10...(36) HD2 LYS 39 + HE2 LYS 39 OK 43 44 100 97 2.4-3.0 3.0=94, 2050/3.6=16...(16) HD2 LYS 39 + HE3 LYS 39 OK 43 44 100 97 2.3-3.0 3.0=94, 2040/3.6=16...(12) HD3 LYS 39 + HE2 LYS 39 OK 43 44 100 97 2.3-3.0 3.0=94, 2050/3.6=9...(16) HD3 LYS 39 + HE3 LYS 39 OK 43 44 100 97 2.4-3.0 3.0=94, 2040/3.6=9...(12) HG13 ILE 50 - HE2 LYS 49 far 4 75 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 75 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 97 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 69 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 69 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 65 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 98 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 65 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3148 from cnoeabs.peaks (1.67, 2.98, 42.11 ppm; 2.93 A): 12 out of 28 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(29) * HD3 LYS 62 + HE2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 62 + HE3 LYS 62 OK 98 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE3 LYS 62 OK 98 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(28) HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 3140/1.8=8...(36) HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 2988/4.9=10...(36) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.4-3.0 3.0=95, 2988/4.9=10...(36) HD2 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2050/3.6=15...(16) HD2 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.3-3.0 3.0=94, 2040/3.6=15...(12) HD3 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.3-3.0 3.0=94, 2050/3.6=8...(16) HD3 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2040/3.6=8...(12) HG13 ILE 50 - HE2 LYS 49 far 4 73 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 73 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 98 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 69 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 69 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 66 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 99 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 66 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3149 from cnoeabs.peaks (2.98, 2.98, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 98 98 - 100 HE3 LYS 49 + HE3 LYS 49 OK 98 98 - 100 HE2 LYS 39 + HE2 LYS 39 OK 70 70 - 100 HE3 LYS 39 + HE3 LYS 39 OK 70 70 - 100 Peak 3150 from cnoeabs.peaks (2.99, 2.98, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 97 97 - 100 HE3 LYS 49 + HE3 LYS 49 OK 97 97 - 100 HE2 LYS 39 + HE2 LYS 39 OK 69 69 - 100 HE3 LYS 39 + HE3 LYS 39 OK 69 69 - 100 Reference assignment not found: HE3 LYS 62 - HE2 LYS 62 Peak 3153 from cnoeabs.peaks (1.83, 2.99, 42.11 ppm; 4.70 A increased from 3.95 A): 4 out of 18 assignments used, quality = 1.00: HB2 LYS 62 + HE2 LYS 62 OK 90 100 90 100 2.5-5.5 4.6=100 HB2 LYS 60 + HE3 LYS 60 OK 88 98 90 100 3.1-5.5 4.9=87, ~2978=31...(53) * HB2 LYS 62 + HE3 LYS 62 OK 85 100 85 100 2.9-5.5 4.6=100 HB2 LYS 60 + HE2 LYS 60 OK 83 97 85 100 2.0-5.5 4.9=87, ~2978=31...(53) HB2 LYS 60 - HE3 LYS 62 far 5 99 5 - 4.5-13.0 HB2 LYS 62 - HE2 LYS 60 far 5 99 5 - 4.3-11.6 HB2 ARG 61 - HE2 LYS 62 far 4 88 5 - 4.3-10.0 HB2 ARG 61 - HE3 LYS 60 far 4 87 5 - 4.7-10.3 HB2 LYS 58 - HE3 LYS 60 far 0 66 0 - 5.0-13.1 HB2 LYS 58 - HE3 LYS 62 far 0 68 0 - 5.1-17.8 HB2 ARG 61 - HE2 LYS 60 far 0 86 0 - 5.2-9.7 HB2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.5-12.3 HB2 LYS 58 - HE2 LYS 60 far 0 65 0 - 5.8-12.8 HB2 ARG 61 - HE3 LYS 62 far 0 89 0 - 5.9-10.5 HB2 LYS 58 - HE2 LYS 62 far 0 67 0 - 6.0-18.5 HB2 LYS 60 - HE2 LYS 62 far 0 98 0 - 6.1-12.9 HB3 GLN 47 - HE2 LYS 49 far 0 96 0 - 8.1-11.4 HB3 GLN 47 - HE3 LYS 49 far 0 96 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 3154 from cnoeabs.peaks (1.77, 2.99, 42.11 ppm; 4.82 A increased from 4.06 A): 4 out of 14 assignments used, quality = 1.00: HB3 LYS 62 + HE2 LYS 62 OK 100 100 100 100 2.0-4.9 4.6=100 HB3 LYS 60 + HE3 LYS 60 OK 94 99 95 100 2.4-5.5 4.9=94, 2978/3.0=45...(47) HB3 LYS 60 + HE2 LYS 60 OK 94 99 95 100 2.0-5.0 4.9=94, 2978/3.0=45...(47) * HB3 LYS 62 + HE3 LYS 62 OK 85 100 85 100 2.2-5.4 4.6=100 HB2 LYS 58 - HE3 LYS 60 far 0 64 0 - 5.0-13.1 HB3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.1-11.8 HB2 LYS 58 - HE3 LYS 62 far 0 65 0 - 5.1-17.8 HB3 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.4-11.6 HB2 LYS 58 - HE2 LYS 60 far 0 63 0 - 5.8-12.8 HB3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.8-12.3 HB3 LYS 60 - HE3 LYS 62 far 0 100 0 - 5.8-12.4 HB2 LYS 58 - HE2 LYS 62 far 0 64 0 - 6.0-18.5 HB2 PRO 32 - HE3 LYS 39 far 0 48 0 - 7.2-11.0 HB2 PRO 32 - HE2 LYS 39 far 0 48 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 3155 from cnoeabs.peaks (1.43, 2.99, 42.11 ppm; 3.24 A): 9 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 77 100 85 90 2.2-3.8 3.7=65, 3135/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 54 100 60 90 2.4-3.9 3.7=65, 3136/3.0=11...(29) * HG2 LYS 62 + HE3 LYS 62 OK 50 100 55 90 2.1-3.8 3.7=65, 3.0/3011=11...(29) HG3 LYS 62 + HE3 LYS 62 OK 49 100 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 47 97 50 96 2.5-4.1 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE2 LYS 60 OK 42 98 45 97 2.4-4.2 3.9=56, 2.9/3011=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 42 98 45 96 2.3-4.2 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 38 98 40 97 2.1-3.8 3.9=56, 2.9/3011=8...(54) HG2 LYS 39 + HE3 LYS 39 OK 23 68 35 97 2.2-4.2 3.6=72, ~2050=19...(39) HG2 LYS 39 - HE2 LYS 39 poor 17 68 25 - 2.1-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 98 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 99 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 82 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 83 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 81 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 80 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 79 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 91 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 92 0 - 7.8-19.8 HB3 LEU 29 - HE2 LYS 49 far 0 57 0 - 8.1-10.7 HG3 LYS 58 - HE2 LYS 60 far 0 78 0 - 8.2-14.3 HB3 LEU 29 - HE3 LYS 49 far 0 57 0 - 9.4-11.1 HB2 LYS 27 - HE2 LYS 60 far 0 89 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 80 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (1.43, 2.99, 42.11 ppm; 3.24 A): 9 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 77 100 85 90 2.2-3.8 3.7=65, 3135/3.0=9...(29) HG3 LYS 62 + HE2 LYS 62 OK 54 100 60 90 2.4-3.9 3.7=65, 3136/3.0=11...(29) HG2 LYS 62 + HE3 LYS 62 OK 50 100 55 90 2.1-3.8 3.7=65, 3.0/3011=11...(29) * HG3 LYS 62 + HE3 LYS 62 OK 49 100 55 90 2.3-4.2 3.7=65, 3.0/3011=11...(29) HG2 LYS 60 + HE2 LYS 60 OK 47 97 50 96 2.5-4.1 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE2 LYS 60 OK 42 98 45 97 2.4-4.2 3.9=56, 2.9/3011=8...(54) HG2 LYS 60 + HE3 LYS 60 OK 42 98 45 96 2.3-4.2 3.9=56, 3136/3.0=9...(54) HG3 LYS 60 + HE3 LYS 60 OK 38 98 40 97 2.1-3.8 3.9=56, 2.9/3011=8...(54) HG2 LYS 39 + HE3 LYS 39 OK 23 68 35 97 2.2-4.2 3.6=72, ~2050=19...(39) HG2 LYS 39 - HE2 LYS 39 poor 17 68 25 - 2.1-4.2 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.0-13.6 HG2 LYS 60 - HE2 LYS 62 far 0 98 0 - 4.6-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 4.6-13.7 HG3 LYS 62 - HE3 LYS 60 far 0 99 0 - 4.9-13.0 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.1-13.1 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.4-13.8 HG3 ARG 56 - HE2 LYS 62 far 0 82 0 - 5.5-17.9 HG3 ARG 56 - HE3 LYS 62 far 0 83 0 - 5.9-18.5 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-12.8 HG3 LYS 58 - HE3 LYS 62 far 0 81 0 - 6.5-18.9 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.6-13.7 HG3 LYS 58 - HE2 LYS 62 far 0 80 0 - 6.7-18.7 HG3 LYS 58 - HE3 LYS 60 far 0 79 0 - 7.1-14.3 HB2 LYS 27 - HE2 LYS 62 far 0 91 0 - 7.1-19.6 HB2 LYS 27 - HE3 LYS 62 far 0 92 0 - 7.8-19.8 HB3 LEU 29 - HE2 LYS 49 far 0 57 0 - 8.1-10.7 HG3 LYS 58 - HE2 LYS 60 far 0 78 0 - 8.2-14.3 HB3 LEU 29 - HE3 LYS 49 far 0 57 0 - 9.4-11.1 HB2 LYS 27 - HE2 LYS 60 far 0 89 0 - 9.7-16.8 HG3 ARG 56 - HE2 LYS 60 far 0 80 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (1.67, 2.99, 42.11 ppm; 2.93 A): 12 out of 28 assignments used, quality = 1.00: * HD2 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 62 + HE2 LYS 62 OK 98 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=96, 3140/1.8=8...(28) HD3 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.4-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.3-3.0 3.0=95, 2978/4.9=10...(36) HD3 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.4-3.0 3.0=95, 2978/4.9=10...(36) HD2 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2050/3.6=16...(16) HD2 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.3-3.0 3.0=94, 2040/3.6=16...(12) HD3 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.3-3.0 3.0=94, 2050/3.6=9...(16) HD3 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2040/3.6=9...(12) HG13 ILE 50 - HE2 LYS 49 far 4 71 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 71 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 98 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 66 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 66 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 63 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 97 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 63 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3158 from cnoeabs.peaks (1.67, 2.99, 42.11 ppm; 2.93 A): 12 out of 28 assignments used, quality = 1.00: HD2 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(29) * HD3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(28) HD2 LYS 62 + HE2 LYS 62 OK 98 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(29) HD3 LYS 62 + HE2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=96, 3140/1.8=8...(28) HD3 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.4-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.3-3.0 3.0=95, 2988/4.9=10...(36) HD3 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.4-3.0 3.0=95, 2988/4.9=10...(36) HD2 LYS 39 + HE2 LYS 39 OK 40 41 100 97 2.4-3.0 3.0=94, 2050/3.6=15...(16) HD2 LYS 39 + HE3 LYS 39 OK 39 41 100 97 2.3-3.0 3.0=94, 2040/3.6=15...(12) HD3 LYS 39 + HE2 LYS 39 OK 39 41 100 97 2.3-3.0 3.0=94, 2050/3.6=8...(16) HD3 LYS 39 + HE3 LYS 39 OK 39 41 100 97 2.4-3.0 3.0=94, 2040/3.6=8...(12) HG13 ILE 50 - HE2 LYS 49 far 3 69 5 - 2.5-7.4 HG13 ILE 50 - HE3 LYS 49 far 0 69 0 - 3.1-6.2 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 3.9-14.5 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 4.4-14.7 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.6-14.8 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 5.0-15.7 HD3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-14.2 HD2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.6-13.9 HD3 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.1-14.1 HD2 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.4-13.6 HB2 LEU 64 - HE3 LYS 62 far 0 99 0 - 6.4-12.7 HB2 LEU 37 - HE3 LYS 39 far 0 67 0 - 7.2-10.0 HB2 LEU 37 - HE2 LYS 39 far 0 67 0 - 7.2-9.7 HD3 LYS 42 - HE3 LYS 39 far 0 64 0 - 7.5-12.4 HB2 LEU 64 - HE2 LYS 62 far 0 98 0 - 7.6-12.7 HD3 LYS 42 - HE2 LYS 39 far 0 64 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 3159 from cnoeabs.peaks (2.98, 2.99, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 60 + HE2 LYS 60 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 96 96 - 100 HE3 LYS 49 + HE3 LYS 49 OK 96 96 - 100 HE2 LYS 39 + HE2 LYS 39 OK 68 68 - 100 HE3 LYS 39 + HE3 LYS 39 OK 68 68 - 100 Reference assignment not found: HE2 LYS 62 - HE3 LYS 62 Peak 3160 from cnoeabs.peaks (2.99, 2.99, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 60 + HE2 LYS 60 OK 98 98 - 100 HE2 LYS 49 + HE2 LYS 49 OK 94 94 - 100 HE3 LYS 49 + HE3 LYS 49 OK 94 94 - 100 HE2 LYS 39 + HE2 LYS 39 OK 67 67 - 100 HE3 LYS 39 + HE3 LYS 39 OK 67 67 - 100 Peak 3161 from cnoeabs.peaks (8.38, 4.31, 55.97 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 63 + HA GLN 63 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 64 + HA GLN 63 OK 67 98 75 91 2.2-3.6 3.6=84, 3627/3.0=18...(6) H SER 65 - HA GLN 63 far 4 81 5 - 3.4-5.0 H GLU 67 - HA GLN 63 far 0 73 0 - 6.5-11.7 Violated in 0 structures by 0.00 A. Peak 3162 from cnoeabs.peaks (4.31, 4.31, 55.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 63 + HA GLN 63 OK 100 100 - 100 Peak 3163 from cnoeabs.peaks (2.08, 4.31, 55.97 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 63 + HA GLN 63 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 67 - HA GLN 63 far 0 98 0 - 7.5-14.1 Violated in 0 structures by 0.00 A. Peak 3164 from cnoeabs.peaks (2.00, 4.31, 55.97 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 63 + HA GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3165 from cnoeabs.peaks (2.36, 4.31, 55.97 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 63 + HA GLN 63 OK 100 100 100 100 2.3-3.8 3.7=100 HG3 GLN 63 + HA GLN 63 OK 100 100 100 100 2.4-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (2.36, 4.31, 55.97 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + HA GLN 63 OK 100 100 100 100 2.4-3.8 3.7=100 HG2 GLN 63 + HA GLN 63 OK 100 100 100 100 2.3-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 3169 from cnoeabs.peaks (8.38, 2.08, 29.35 ppm; 4.46 A): 3 out of 4 assignments used, quality = 1.00: * H GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.5-4.0 3.9=100 H LEU 64 + HB2 GLN 63 OK 97 98 100 99 2.0-4.2 4.6=90, 836/4693=57...(8) H SER 65 + HB2 GLN 63 OK 37 81 55 83 2.4-6.8 4.4/4693=48, 914/4.6=42...(4) H GLU 67 - HB2 GLN 63 far 0 73 0 - 6.7-12.2 Violated in 0 structures by 0.00 A. Peak 3170 from cnoeabs.peaks (4.31, 2.08, 29.35 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 67 - HB2 GLN 63 far 0 100 0 - 8.2-12.8 Violated in 0 structures by 0.00 A. Peak 3171 from cnoeabs.peaks (2.08, 2.08, 29.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 63 + HB2 GLN 63 OK 100 100 - 100 Peak 3172 from cnoeabs.peaks (2.00, 2.08, 29.35 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 63 + HB2 GLN 63 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3173 from cnoeabs.peaks (2.36, 2.08, 29.35 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 53 - HB2 GLN 63 far 0 97 0 - 9.5-23.7 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (2.36, 2.08, 29.35 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 53 - HB2 GLN 63 far 0 99 0 - 9.5-23.7 Violated in 0 structures by 0.00 A. Peak 3177 from cnoeabs.peaks (8.38, 2.00, 29.35 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.2-3.7 3.9=100 H LEU 64 + HB3 GLN 63 OK 83 98 90 94 2.6-4.2 4.6=71, 4.6/829=45...(6) H SER 65 - HB3 GLN 63 poor 12 81 35 43 3.2-7.1 914/4.6=36, 3169/1.8=11 H GLU 67 - HB3 GLN 63 far 0 73 0 - 6.4-12.6 Violated in 0 structures by 0.00 A. Peak 3178 from cnoeabs.peaks (4.31, 2.00, 29.35 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 41 - HB3 GLU 18 far 0 55 0 - 5.1-6.2 HA LEU 41 - HB2 GLU 18 far 0 55 0 - 5.3-5.8 HA GLU 67 - HB3 GLN 63 far 0 100 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3179 from cnoeabs.peaks (2.08, 2.00, 29.35 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 63 + HB3 GLN 63 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 22 - HB3 GLU 18 far 0 66 0 - 5.5-6.1 HB2 LYS 22 - HB2 GLU 18 far 0 66 0 - 6.4-7.1 HB VAL 16 - HB2 GLU 18 far 0 89 0 - 6.6-7.2 HB2 GLU 67 - HB3 GLN 63 far 0 98 0 - 8.1-14.2 HB VAL 16 - HB3 GLU 18 far 0 89 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 3180 from cnoeabs.peaks (2.00, 2.00, 29.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 63 + HB3 GLN 63 OK 100 100 - 100 HB3 GLU 18 + HB3 GLU 18 OK 89 89 - 100 HB2 GLU 18 + HB2 GLU 18 OK 89 89 - 100 Peak 3181 from cnoeabs.peaks (2.36, 2.00, 29.35 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 22 - HB3 GLU 18 far 0 64 0 - 6.5-7.7 HG2 MET 11 - HB2 GLU 18 far 0 50 0 - 6.6-8.9 HB3 LYS 22 - HB2 GLU 18 far 0 64 0 - 7.2-8.4 HG2 MET 11 - HB3 GLU 18 far 0 50 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 3182 from cnoeabs.peaks (2.36, 2.00, 29.35 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 22 - HB3 GLU 18 far 0 68 0 - 6.5-7.7 HG2 MET 11 - HB2 GLU 18 far 0 55 0 - 6.6-8.9 HB3 LYS 22 - HB2 GLU 18 far 0 68 0 - 7.2-8.4 HG2 MET 11 - HB3 GLU 18 far 0 55 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 8 assignments used, quality = 0.99: * H GLN 63 + HG2 GLN 63 OK 91 100 95 95 2.2-4.6 829/3.0=77, 5.1=66...(4) H GLN 63 + HG3 GLN 63 OK 81 100 85 95 2.1-4.7 829/3.0=77, 5.1=66...(4) H LEU 64 + HG2 GLN 63 OK 43 98 60 73 2.7-5.3 3627/3.0=31, 3626/3.0=31...(4) H LEU 64 + HG3 GLN 63 OK 43 98 60 73 3.0-5.2 3627/3.0=31, 3626/3.0=31...(4) H SER 65 - HG3 GLN 63 far 12 80 15 - 3.0-7.7 H SER 65 - HG2 GLN 63 far 4 81 5 - 4.5-7.2 H GLU 67 - HG3 GLN 63 far 0 73 0 - 4.7-12.9 H GLU 67 - HG2 GLN 63 far 0 73 0 - 5.8-12.8 Violated in 0 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (4.31, 2.36, 33.72 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.8 3.7=100 HA GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.4-3.8 3.7=100 HA LYS 49 - HG3 GLN 53 far 0 82 0 - 4.9-8.1 HA GLU 67 - HG3 GLN 63 far 0 100 0 - 6.7-14.6 HA GLU 67 - HG2 GLN 63 far 0 100 0 - 7.7-13.9 Violated in 0 structures by 0.00 A. Peak 3187 from cnoeabs.peaks (2.08, 2.36, 33.72 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 67 - HG3 GLN 63 far 0 98 0 - 7.3-15.2 HB2 GLU 67 - HG2 GLN 63 far 0 98 0 - 8.4-15.7 HB2 GLN 63 - HG3 GLN 53 far 0 92 0 - 9.5-23.7 HB2 GLU 67 - HG3 GLN 53 far 0 88 0 - 9.6-30.7 Violated in 0 structures by 0.00 A. Peak 3188 from cnoeabs.peaks (2.00, 2.36, 33.72 ppm; 3.20 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 55 - HG3 GLN 53 far 0 60 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 3189 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 87 87 - 100 Peak 3190 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 89 89 - 100 Reference assignment not found: HG3 GLN 63 - HG2 GLN 63 Peak 3191 from cnoeabs.peaks (7.53, 2.36, 33.72 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HE21 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 63 - HG3 GLN 53 far 0 92 0 - 7.4-23.8 QE PHE 52 - HG3 GLN 53 far 0 91 0 - 7.7-10.5 H TYR 28 - HG3 GLN 53 far 0 50 0 - 8.5-13.3 H TYR 28 - HG3 GLN 63 far 0 60 0 - 9.1-26.3 Violated in 0 structures by 0.00 A. Peak 3192 from cnoeabs.peaks (6.87, 2.36, 33.72 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 63 + HG2 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 63 + HG3 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 63 - HG3 GLN 53 far 0 92 0 - 7.4-25.4 Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 8 assignments used, quality = 0.99: H GLN 63 + HG2 GLN 63 OK 91 100 95 95 2.2-4.6 829/3.0=77, 5.1=66...(4) * H GLN 63 + HG3 GLN 63 OK 81 100 85 95 2.1-4.7 829/3.0=77, 5.1=66...(4) H LEU 64 + HG3 GLN 63 OK 43 98 60 73 3.0-5.2 3627/3.0=31, 3626/3.0=31...(4) H LEU 64 + HG2 GLN 63 OK 43 98 60 73 2.7-5.3 3627/3.0=31, 3626/3.0=31...(4) H SER 65 - HG3 GLN 63 far 12 81 15 - 3.0-7.7 H SER 65 - HG2 GLN 63 far 4 80 5 - 4.5-7.2 H GLU 67 - HG3 GLN 63 far 0 73 0 - 4.7-12.9 H GLU 67 - HG2 GLN 63 far 0 73 0 - 5.8-12.8 Violated in 0 structures by 0.00 A. Peak 3194 from cnoeabs.peaks (4.31, 2.36, 33.72 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.4-3.8 3.7=100 HA GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.8 3.7=100 HA LYS 49 - HG3 GLN 53 far 0 86 0 - 4.9-8.1 HA GLU 67 - HG3 GLN 63 far 0 100 0 - 6.7-14.6 HA GLU 67 - HG2 GLN 63 far 0 100 0 - 7.7-13.9 Violated in 0 structures by 0.00 A. Peak 3195 from cnoeabs.peaks (2.08, 2.36, 33.72 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 67 - HG3 GLN 63 far 0 98 0 - 7.3-15.2 HB2 GLU 67 - HG2 GLN 63 far 0 98 0 - 8.4-15.7 HB2 GLN 63 - HG3 GLN 53 far 0 96 0 - 9.5-23.7 HB2 GLU 67 - HG3 GLN 53 far 0 92 0 - 9.6-30.7 Violated in 0 structures by 0.00 A. Peak 3196 from cnoeabs.peaks (2.00, 2.36, 33.72 ppm; 3.20 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 55 - HG3 GLN 53 far 0 63 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 3197 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 91 91 - 100 Reference assignment not found: HG2 GLN 63 - HG3 GLN 63 Peak 3198 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 93 93 - 100 Peak 3199 from cnoeabs.peaks (7.53, 2.36, 33.72 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HE21 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 63 - HG3 GLN 53 far 0 96 0 - 7.4-23.8 QE PHE 52 - HG3 GLN 53 far 0 95 0 - 7.7-10.5 H TYR 28 - HG3 GLN 53 far 0 53 0 - 8.5-13.3 H TYR 28 - HG3 GLN 63 far 0 60 0 - 9.1-26.3 Violated in 0 structures by 0.00 A. Peak 3200 from cnoeabs.peaks (6.87, 2.36, 33.72 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 63 + HG3 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 63 + HG2 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 63 - HG3 GLN 53 far 0 96 0 - 7.4-25.4 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (8.38, 4.37, 55.19 ppm; 4.05 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 100 100 2.3-2.9 2.9=100 H GLU 67 - HA LEU 68 far 0 60 0 - 4.6-5.2 H GLN 63 - HA LEU 64 far 0 98 0 - 4.7-6.5 H GLU 67 - HA LEU 64 far 0 92 0 - 5.7-9.8 H GLU 67 - HA ASN 54 far 0 50 0 - 8.4-28.3 H GLN 63 - HA LEU 68 far 0 67 0 - 8.5-16.4 H LEU 64 - HA LEU 68 far 0 72 0 - 8.7-13.6 H LEU 64 - HA ASN 54 far 0 60 0 - 9.6-20.8 Violated in 0 structures by 0.00 A. Peak 3202 from cnoeabs.peaks (4.37, 4.37, 55.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 HA LEU 68 + HA LEU 68 OK 65 65 - 100 HA ASN 54 + HA ASN 54 OK 44 44 - 100 Peak 3203 from cnoeabs.peaks (1.66, 4.37, 55.19 ppm; 3.17 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 55 78 80 88 2.3-3.7 3.7=64, 2.1/3207=21...(8) HB2 LEU 68 + HA LEU 68 OK 43 43 100 100 2.4-3.0 3.0=100 HD3 LYS 60 - HA LEU 68 far 0 67 0 - 4.7-24.4 HD3 LYS 62 - HA LEU 64 far 0 99 0 - 5.2-11.3 HD3 LYS 62 - HA LEU 68 far 0 68 0 - 5.5-20.5 HD2 LYS 62 - HA LEU 64 far 0 98 0 - 5.5-11.6 HB2 LEU 68 - HA ASN 54 far 0 35 0 - 5.8-28.9 HD2 LYS 60 - HA LEU 68 far 0 65 0 - 5.8-23.8 HD2 LYS 62 - HA LEU 68 far 0 67 0 - 7.0-20.7 HB2 LEU 68 - HA LEU 64 far 0 71 0 - 7.9-14.0 HG LEU 64 - HA LEU 68 far 0 49 0 - 8.0-16.3 HD2 LYS 62 - HA ASN 54 far 0 56 0 - 8.0-20.7 HD3 LYS 62 - HA ASN 54 far 0 57 0 - 8.6-20.0 HD3 LYS 60 - HA LEU 64 far 0 98 0 - 8.7-16.2 HB2 LEU 64 - HA LEU 68 far 0 72 0 - 9.0-15.3 HD2 LYS 60 - HA ASN 54 far 0 54 0 - 9.1-16.0 HD2 LYS 60 - HA LEU 64 far 0 97 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 3204 from cnoeabs.peaks (1.62, 4.37, 55.19 ppm; 3.04 A): 5 out of 19 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 68 + HA LEU 68 OK 62 62 100 100 2.4-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 54 54 100 100 2.4-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 54 78 80 85 2.3-3.7 3.7=57, 2.1/3207=20...(9) HG LEU 68 + HA LEU 68 OK 38 71 70 76 2.3-3.7 3.6=58, 2.1/3326=20...(7) HB2 LEU 68 - HA ASN 54 far 0 44 0 - 5.8-28.9 HB3 LEU 68 - HA ASN 54 far 0 51 0 - 5.9-28.7 HG2 ARG 61 - HA LEU 64 far 0 81 0 - 6.3-12.9 HG LEU 68 - HA ASN 54 far 0 59 0 - 6.4-30.0 HG3 ARG 61 - HA LEU 68 far 0 49 0 - 7.0-23.1 HG2 ARG 61 - HA LEU 68 far 0 51 0 - 7.2-23.2 HG3 ARG 61 - HA LEU 64 far 0 78 0 - 7.6-13.3 HB2 LEU 68 - HA LEU 64 far 0 85 0 - 7.9-14.0 HG LEU 64 - HA LEU 68 far 0 49 0 - 8.0-16.3 HB3 LEU 64 - HA LEU 68 far 0 72 0 - 8.1-14.9 HB3 LEU 68 - HA LEU 64 far 0 93 0 - 8.6-14.4 HG LEU 68 - HA LEU 64 far 0 100 0 - 8.7-15.9 HG2 ARG 61 - HA ASN 54 far 0 41 0 - 9.1-17.1 HB3 LEU 64 - HA ASN 54 far 0 60 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3205 from cnoeabs.peaks (1.64, 4.37, 55.19 ppm; 3.04 A): 6 out of 16 assignments used, quality = 1.00: HB2 LEU 64 + HA LEU 64 OK 78 78 100 100 2.4-3.0 3.0=100 HB3 LEU 64 + HA LEU 64 OK 78 78 100 100 2.5-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 71 71 100 100 2.4-3.0 3.0=100 * HG LEU 64 + HA LEU 64 OK 69 100 80 86 2.3-3.7 3.7=57, 3222/2.9=25...(9) HB3 LEU 68 + HA LEU 68 OK 68 68 100 100 2.4-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 24 45 70 76 2.3-3.7 3.6=58, 2.1/3326=20...(7) HB2 LEU 68 - HA ASN 54 far 0 59 0 - 5.8-28.9 HB3 LEU 68 - HA ASN 54 far 0 57 0 - 5.9-28.7 HG LEU 68 - HA ASN 54 far 0 37 0 - 6.4-30.0 HB2 LEU 68 - HA LEU 64 far 0 100 0 - 7.9-14.0 HG LEU 64 - HA LEU 68 far 0 72 0 - 8.0-16.3 HB3 LEU 64 - HA LEU 68 far 0 49 0 - 8.1-14.9 HB3 LEU 68 - HA LEU 64 far 0 99 0 - 8.6-14.4 HG LEU 68 - HA LEU 64 far 0 73 0 - 8.7-15.9 HB2 LEU 64 - HA LEU 68 far 0 49 0 - 9.0-15.3 HB3 LEU 64 - HA ASN 54 far 0 40 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3206 from cnoeabs.peaks (0.91, 4.37, 55.19 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 2.0-3.8 3.9=100 QG2 ILE 50 + HA ASN 54 OK 25 57 45 100 4.4-5.2 4657/3.0=66, 4661/4.5=62...(9) QD1 LEU 64 - HA LEU 68 far 0 72 0 - 5.0-13.8 QG2 ILE 50 - HA LEU 68 far 0 68 0 - 9.1-28.9 Violated in 0 structures by 0.00 A. Peak 3207 from cnoeabs.peaks (0.85, 4.37, 55.19 ppm; 3.70 A increased from 3.48 A): 3 out of 9 assignments used, quality = 0.89: * QD2 LEU 64 + HA LEU 64 OK 64 100 65 98 2.0-3.9 3.9=85, 3236/2.9=42...(9) QD1 LEU 68 + HA LEU 68 OK 55 63 95 93 2.0-3.9 3.9=84, 2.1/3237=17...(7) QD2 LEU 68 + HA LEU 68 OK 31 66 50 94 2.0-4.1 3.9=84, 2.1/3326=30...(7) QD2 LEU 64 - HA LEU 68 far 0 72 0 - 5.4-13.0 QD1 LEU 68 - HA LEU 64 far 0 95 0 - 6.4-12.8 QD2 LEU 68 - HA ASN 54 far 0 55 0 - 6.8-24.9 QD1 LEU 68 - HA ASN 54 far 0 52 0 - 6.9-25.6 QD2 LEU 68 - HA LEU 64 far 0 97 0 - 7.4-13.6 QD2 LEU 64 - HA ASN 54 far 0 60 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3208 from cnoeabs.peaks (8.38, 1.66, 42.38 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.2-3.1 3.8=100 H GLN 63 - HB2 LEU 64 far 15 98 15 - 4.5-6.8 H GLU 67 - HB2 LEU 64 far 0 92 0 - 6.4-10.8 H GLU 20 - HB2 LEU 37 far 0 51 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (4.37, 1.66, 42.38 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 22 - HB2 LEU 37 far 0 55 0 - 6.9-7.8 HA ASN 40 - HB2 LEU 37 far 0 81 0 - 7.7-7.8 HA PRO 32 - HB2 LEU 37 far 0 79 0 - 8.0-8.5 HA LEU 68 - HB2 LEU 64 far 0 97 0 - 9.0-15.3 Violated in 0 structures by 0.00 A. Peak 3210 from cnoeabs.peaks (1.66, 1.66, 42.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 HB2 LEU 37 + HB2 LEU 37 OK 81 81 - 100 Peak 3211 from cnoeabs.peaks (1.62, 1.66, 42.38 ppm; 2.40 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 64 + HB2 LEU 64 OK 24 78 45 68 2.3-3.0 3.0=52, 5.1/836=10...(8) HG2 ARG 61 - HB2 LEU 64 far 0 81 0 - 5.9-13.8 HB2 LEU 68 - HB2 LEU 64 far 0 85 0 - 6.8-15.6 HG3 ARG 61 - HB2 LEU 64 far 0 78 0 - 6.9-14.8 HB2 LEU 41 - HB2 LEU 37 far 0 82 0 - 7.4-7.9 HB3 LEU 68 - HB2 LEU 64 far 0 93 0 - 7.6-16.1 HG LEU 68 - HB2 LEU 64 far 0 100 0 - 9.1-18.1 HB3 LEU 43 - HB2 LEU 37 far 0 71 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3212 from cnoeabs.peaks (1.64, 1.66, 42.38 ppm; diagonal): 2 out of 2 assignments used, quality = 0.89: HB2 LEU 64 + HB2 LEU 64 OK 78 78 - 100 HB2 LEU 37 + HB2 LEU 37 OK 51 51 - 100 Reference assignment not found: HG LEU 64 - HB2 LEU 64 Peak 3213 from cnoeabs.peaks (0.91, 1.66, 42.38 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 37 + HB2 LEU 37 OK 74 74 100 100 2.3-2.5 3.1=100 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (0.85, 1.66, 42.38 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 68 - HB2 LEU 64 far 0 95 0 - 6.4-14.8 QD2 LEU 68 - HB2 LEU 64 far 0 97 0 - 7.0-15.4 QD2 LEU 43 - HB2 LEU 37 far 0 80 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (8.38, 1.62, 42.38 ppm; 4.31 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.3-3.8 3.8=100 H GLN 63 - HB3 LEU 64 far 15 98 15 - 4.0-7.1 H GLU 67 - HB3 LEU 68 far 10 68 15 - 4.3-7.0 H GLU 67 - HB2 LEU 68 far 8 51 15 - 4.2-6.7 H GLU 67 - HB3 LEU 64 far 0 92 0 - 6.0-10.6 H GLN 63 - HB2 LEU 68 far 0 57 0 - 8.4-16.3 H LEU 64 - HB2 LEU 68 far 0 61 0 - 8.6-14.8 H LEU 64 - HB3 LEU 68 far 0 80 0 - 8.9-15.4 H GLU 20 - HB2 LEU 41 far 0 64 0 - 9.2-9.6 H GLN 63 - HB3 LEU 68 far 0 76 0 - 9.2-16.4 Violated in 0 structures by 0.00 A. Peak 3216 from cnoeabs.peaks (4.37, 1.62, 42.38 ppm; 3.64 A): 3 out of 11 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 68 + HB3 LEU 68 OK 74 74 100 100 2.4-3.0 3.0=100 HA LEU 68 + HB2 LEU 68 OK 55 55 100 100 2.4-3.0 3.0=100 HA ASN 54 - HB2 LEU 68 far 0 45 0 - 5.8-28.9 HA ASN 54 - HB3 LEU 68 far 0 62 0 - 5.9-28.7 HA ASN 40 - HB2 LEU 41 far 0 96 0 - 6.0-6.1 HB2 SER 12 - HB2 LEU 41 far 0 96 0 - 7.3-10.6 HA LEU 64 - HB2 LEU 68 far 0 61 0 - 7.9-14.0 HA LEU 68 - HB3 LEU 64 far 0 97 0 - 8.1-14.9 HA LEU 64 - HB3 LEU 68 far 0 80 0 - 8.6-14.4 HA ASN 54 - HB3 LEU 64 far 0 85 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3217 from cnoeabs.peaks (1.66, 1.62, 42.38 ppm; 2.40 A): 2 out of 23 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 68 + HB3 LEU 68 OK 50 50 100 100 1.8-1.8 1.8=100 HG LEU 64 - HB3 LEU 64 poor 20 78 25 - 2.4-3.0 HD3 LYS 60 - HB2 LEU 68 far 0 57 0 - 2.5-24.1 HD3 LYS 60 - HB3 LEU 68 far 0 76 0 - 3.8-25.1 HD2 LYS 60 - HB2 LEU 68 far 0 55 0 - 3.8-23.4 HD2 LYS 62 - HB3 LEU 64 far 0 98 0 - 4.2-13.1 HD2 LYS 60 - HB3 LEU 68 far 0 74 0 - 4.5-24.3 HD3 LYS 62 - HB2 LEU 68 far 0 58 0 - 5.0-21.0 HD3 LYS 42 - HB2 LEU 41 far 0 96 0 - 5.2-7.6 HD2 LYS 62 - HB3 LEU 68 far 0 76 0 - 5.6-21.9 HD3 LYS 62 - HB3 LEU 64 far 0 99 0 - 5.6-12.9 HB3 GLN 15 - HB2 LEU 41 far 0 56 0 - 6.2-7.0 HD3 LYS 62 - HB3 LEU 68 far 0 77 0 - 6.4-21.8 HG LEU 64 - HB3 LEU 68 far 0 56 0 - 6.6-17.0 HD2 LYS 62 - HB2 LEU 68 far 0 57 0 - 6.7-21.2 HB2 LEU 64 - HB2 LEU 68 far 0 61 0 - 6.8-15.6 HG LEU 64 - HB2 LEU 68 far 0 41 0 - 6.9-16.4 HB2 LEU 68 - HB3 LEU 64 far 0 71 0 - 7.2-14.9 HB2 LEU 37 - HB2 LEU 41 far 0 96 0 - 7.4-7.9 HB2 LEU 64 - HB3 LEU 68 far 0 80 0 - 7.6-16.1 HD2 LYS 60 - HB3 LEU 64 far 0 97 0 - 9.1-18.4 HD3 LYS 60 - HB3 LEU 64 far 0 98 0 - 9.3-17.0 Violated in 0 structures by 0.00 A. Peak 3218 from cnoeabs.peaks (1.62, 1.62, 42.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 HB2 LEU 41 + HB2 LEU 41 OK 96 96 - 100 HB3 LEU 68 + HB3 LEU 68 OK 70 70 - 100 HB2 LEU 68 + HB2 LEU 68 OK 45 45 - 100 Peak 3219 from cnoeabs.peaks (1.64, 1.62, 42.38 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HB3 LEU 64 + HB3 LEU 64 OK 78 78 - 100 HB3 LEU 68 + HB3 LEU 68 OK 77 77 - 100 HB2 LEU 41 + HB2 LEU 41 OK 71 71 - 100 HB2 LEU 68 + HB2 LEU 68 OK 61 61 - 100 Reference assignment not found: HG LEU 64 - HB3 LEU 64 Peak 3220 from cnoeabs.peaks (0.91, 1.62, 42.38 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 64 - HB3 LEU 68 far 0 80 0 - 5.1-14.9 QD2 LEU 37 - HB2 LEU 41 far 0 89 0 - 5.7-6.3 QD1 LEU 64 - HB2 LEU 68 far 0 61 0 - 6.0-14.3 QG2 ILE 50 - HB3 LEU 68 far 0 77 0 - 7.0-26.9 QG2 ILE 50 - HB2 LEU 68 far 0 58 0 - 7.9-28.3 Violated in 0 structures by 0.00 A. Peak 3221 from cnoeabs.peaks (0.85, 1.62, 42.38 ppm; 4.43 A): 6 out of 10 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 94 95 100 100 3.6-4.3 2.1/4820=82, 4464/1.8=70...(9) QD2 LEU 68 + HB3 LEU 68 OK 75 75 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 71 71 100 100 2.3-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 56 56 100 100 2.3-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 53 53 100 100 2.0-3.2 3.1=100 QD2 LEU 64 - HB3 LEU 68 far 4 80 5 - 4.4-13.7 QD2 LEU 64 - HB2 LEU 68 far 0 61 0 - 4.7-13.3 QD2 LEU 68 - HB3 LEU 64 far 0 97 0 - 6.2-14.6 QD1 LEU 68 - HB3 LEU 64 far 0 95 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3222 from cnoeabs.peaks (8.38, 1.64, 26.77 ppm; 4.71 A increased from 4.43 A): 1 out of 3 assignments used, quality = 0.90: * H LEU 64 + HG LEU 64 OK 90 100 90 100 3.0-4.9 836/3.0=88, 5.1=80...(10) H GLU 67 - HG LEU 64 far 0 92 0 - 5.6-11.7 H GLN 63 - HG LEU 64 far 0 98 0 - 6.4-8.6 Violated in 2 structures by 0.02 A. Peak 3223 from cnoeabs.peaks (4.37, 1.64, 26.77 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.3-3.7 3.7=100 HA LEU 68 - HG LEU 64 far 0 97 0 - 8.0-16.3 Violated in 0 structures by 0.00 A. Peak 3224 from cnoeabs.peaks (1.66, 1.64, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG LEU 64 + HG LEU 64 OK 78 78 - 100 Reference assignment not found: HB2 LEU 64 - HG LEU 64 Peak 3225 from cnoeabs.peaks (1.62, 1.64, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG LEU 64 + HG LEU 64 OK 78 78 - 100 Reference assignment not found: HB3 LEU 64 - HG LEU 64 Peak 3226 from cnoeabs.peaks (1.64, 1.64, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 Peak 3227 from cnoeabs.peaks (0.91, 1.64, 26.77 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3228 from cnoeabs.peaks (0.85, 1.64, 26.77 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 68 - HG LEU 64 far 0 97 0 - 6.4-16.0 QD1 LEU 68 - HG LEU 64 far 0 95 0 - 6.5-15.4 Violated in 0 structures by 0.00 A. Peak 3229 from cnoeabs.peaks (8.38, 0.91, 25.32 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.3-5.0 4.7=100 H GLU 67 - QD1 LEU 64 far 5 92 5 - 5.0-10.6 H GLN 63 - QD1 LEU 64 far 0 98 0 - 5.5-7.8 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (4.37, 0.91, 25.32 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.0-3.8 3.9=100 HA LEU 68 - QD1 LEU 64 far 5 97 5 - 5.0-13.8 Violated in 0 structures by 0.00 A. Peak 3231 from cnoeabs.peaks (1.66, 0.91, 25.32 ppm; 3.25 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HD2 LYS 62 - QD1 LEU 64 far 0 98 0 - 5.4-11.5 HB2 LEU 68 - QD1 LEU 64 far 0 71 0 - 6.0-14.3 HD3 LYS 62 - QD1 LEU 64 far 0 99 0 - 6.1-11.5 HD3 LYS 60 - QD1 LEU 64 far 0 98 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (1.62, 0.91, 25.32 ppm; 3.62 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 68 - QD1 LEU 64 far 0 93 0 - 5.1-14.9 HG LEU 68 - QD1 LEU 64 far 0 100 0 - 5.8-15.0 HB2 LEU 68 - QD1 LEU 64 far 0 85 0 - 6.0-14.3 HG3 ARG 61 - QD1 LEU 64 far 0 78 0 - 6.3-13.5 HG2 ARG 61 - QD1 LEU 64 far 0 81 0 - 7.1-12.9 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (1.64, 0.91, 25.32 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-3.2 3.1=100 HB2 LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-3.2 3.1=100 HB3 LEU 68 - QD1 LEU 64 far 0 99 0 - 5.1-14.9 HG LEU 68 - QD1 LEU 64 far 0 73 0 - 5.8-15.0 HB2 LEU 68 - QD1 LEU 64 far 0 100 0 - 6.0-14.3 Violated in 0 structures by 0.00 A. Peak 3234 from cnoeabs.peaks (0.91, 0.91, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 3235 from cnoeabs.peaks (0.85, 0.91, 25.32 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 68 - QD1 LEU 64 far 0 97 0 - 5.9-12.1 QD1 LEU 68 - QD1 LEU 64 far 0 95 0 - 6.0-12.1 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (8.38, 0.85, 23.25 ppm; 4.58 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.1-4.3 4.7=96, 836/3.1=83...(11) H GLU 67 - QD2 LEU 64 far 9 92 10 - 4.4-9.9 H GLU 67 - QD2 LEU 68 far 8 77 10 - 3.4-7.4 H GLU 67 - QD1 LEU 68 far 4 71 5 - 3.5-7.1 H GLN 63 - QD2 LEU 64 far 0 98 0 - 5.2-8.0 H GLN 63 - QD1 LEU 68 far 0 79 0 - 5.4-15.7 H GLN 63 - QD2 LEU 68 far 0 85 0 - 5.8-15.6 H LEU 64 - QD1 LEU 68 far 0 83 0 - 7.0-13.5 H LEU 64 - QD2 LEU 68 far 0 89 0 - 8.3-14.1 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (4.37, 0.85, 23.25 ppm; 3.82 A increased from 3.59 A): 3 out of 9 assignments used, quality = 0.99: * HA LEU 64 + QD2 LEU 64 OK 94 100 95 99 2.0-3.9 3.9=94, 2.9/3236=45...(9) HA LEU 68 + QD1 LEU 68 OK 74 77 100 97 2.0-3.9 3.9=92, 3302/2.1=23...(7) HA LEU 68 + QD2 LEU 68 OK 60 82 75 97 2.0-4.1 3.9=92, 3207/2.1=27...(7) HA LEU 68 - QD2 LEU 64 far 0 97 0 - 5.4-13.0 HA LEU 64 - QD1 LEU 68 far 0 83 0 - 6.4-12.8 HA ASN 54 - QD2 LEU 68 far 0 70 0 - 6.8-24.9 HA ASN 54 - QD1 LEU 68 far 0 64 0 - 6.9-25.6 HA LEU 64 - QD2 LEU 68 far 0 89 0 - 7.4-13.6 HA ASN 54 - QD2 LEU 64 far 0 85 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3238 from cnoeabs.peaks (1.66, 0.85, 23.25 ppm; 3.61 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HB2 LEU 68 + QD2 LEU 68 OK 57 57 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 52 52 100 100 2.0-3.2 3.1=100 HD2 LYS 62 - QD2 LEU 64 far 5 98 5 - 3.7-11.9 HD3 LYS 62 - QD1 LEU 68 far 4 80 5 - 2.5-19.7 HD3 LYS 60 - QD1 LEU 68 far 4 79 5 - 3.1-21.5 HD2 LYS 60 - QD1 LEU 68 far 4 77 5 - 3.7-21.0 HD3 LYS 60 - QD2 LEU 68 far 0 85 0 - 3.7-22.4 HD2 LYS 62 - QD1 LEU 68 far 0 79 0 - 3.8-19.7 HD2 LYS 62 - QD2 LEU 68 far 0 85 0 - 4.2-18.8 HD3 LYS 62 - QD2 LEU 68 far 0 85 0 - 4.3-18.6 HB2 LEU 68 - QD2 LEU 64 far 0 71 0 - 4.7-13.3 HD2 LYS 60 - QD2 LEU 68 far 0 82 0 - 5.1-21.8 HD3 LYS 62 - QD2 LEU 64 far 0 99 0 - 5.1-12.0 HG LEU 64 - QD2 LEU 68 far 0 63 0 - 6.4-16.0 HB2 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.4-14.8 HG LEU 64 - QD1 LEU 68 far 0 58 0 - 6.5-15.4 HB2 LEU 64 - QD2 LEU 68 far 0 89 0 - 7.0-15.4 HD2 LYS 60 - QD2 LEU 64 far 0 97 0 - 8.1-15.3 HD3 LYS 60 - QD2 LEU 64 far 0 98 0 - 8.2-14.8 Violated in 0 structures by 0.00 A. Peak 3239 from cnoeabs.peaks (1.62, 0.85, 23.25 ppm; 3.37 A): 8 out of 21 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 68 + QD2 LEU 68 OK 89 89 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 83 83 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD2 LEU 68 OK 78 78 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD1 LEU 68 OK 73 73 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 70 70 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 64 64 100 100 2.0-3.2 3.1=100 HG2 ARG 61 - QD2 LEU 68 far 3 66 5 - 2.2-20.9 HG3 ARG 61 - QD2 LEU 68 far 3 63 5 - 2.8-20.2 HB3 LEU 68 - QD2 LEU 64 far 0 93 0 - 4.4-13.7 HG2 ARG 61 - QD1 LEU 68 far 0 60 0 - 4.5-20.3 HB2 LEU 68 - QD2 LEU 64 far 0 85 0 - 4.7-13.3 HG3 ARG 61 - QD1 LEU 68 far 0 58 0 - 5.2-19.8 HG LEU 68 - QD2 LEU 64 far 0 100 0 - 5.6-15.2 HG2 ARG 61 - QD2 LEU 64 far 0 81 0 - 6.0-13.4 HB3 LEU 64 - QD2 LEU 68 far 0 89 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 63 0 - 6.4-16.0 HG LEU 64 - QD1 LEU 68 far 0 58 0 - 6.5-15.4 HG3 ARG 61 - QD2 LEU 64 far 0 78 0 - 6.6-14.4 HB3 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (1.64, 0.85, 23.25 ppm; 3.37 A): 9 out of 18 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 68 + QD2 LEU 68 OK 88 88 100 100 2.3-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 85 85 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 83 83 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 80 80 100 100 2.3-3.2 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.1-3.2 3.1=100 HG LEU 68 + QD2 LEU 68 OK 59 59 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 54 54 100 100 2.1-2.1 2.1=100 HB3 LEU 68 - QD2 LEU 64 far 0 99 0 - 4.4-13.7 HB2 LEU 68 - QD2 LEU 64 far 0 100 0 - 4.7-13.3 HG LEU 68 - QD2 LEU 64 far 0 73 0 - 5.6-15.2 HB3 LEU 64 - QD2 LEU 68 far 0 63 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 89 0 - 6.4-16.0 HB2 LEU 64 - QD1 LEU 68 far 0 58 0 - 6.4-14.8 HG LEU 64 - QD1 LEU 68 far 0 83 0 - 6.5-15.4 HB3 LEU 64 - QD1 LEU 68 far 0 58 0 - 6.9-14.2 HB2 LEU 64 - QD2 LEU 68 far 0 63 0 - 7.0-15.4 Violated in 0 structures by 0.00 A. Peak 3241 from cnoeabs.peaks (0.91, 0.85, 23.25 ppm; 2.45 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 64 - QD2 LEU 68 far 0 89 0 - 5.9-12.1 QD1 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.0-12.1 QG2 ILE 50 - QD1 LEU 68 far 0 80 0 - 7.0-24.7 QG2 ILE 50 - QD2 LEU 68 far 0 85 0 - 8.1-23.5 QG2 ILE 50 - QD2 LEU 64 far 0 99 0 - 9.9-21.5 Violated in 0 structures by 0.00 A. Peak 3242 from cnoeabs.peaks (0.85, 0.85, 23.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 QD2 LEU 68 + QD2 LEU 68 OK 84 84 - 100 QD1 LEU 68 + QD1 LEU 68 OK 74 74 - 100 Peak 3243 from cnoeabs.peaks (8.35, 4.43, 58.54 ppm; 4.84 A): 1 out of 4 assignments used, quality = 1.00: * H SER 65 + HA SER 65 OK 100 100 100 100 2.3-2.9 2.9=100 H SER 65 - HA SER 66 poor 15 61 25 - 4.7-5.7 H GLN 63 - HA SER 66 far 2 43 5 - 4.4-11.3 H GLN 63 - HA SER 65 far 0 81 0 - 5.4-7.7 Violated in 0 structures by 0.00 A. Peak 3244 from cnoeabs.peaks (4.43, 4.43, 58.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 65 + HA SER 65 OK 100 100 - 100 HA SER 66 + HA SER 66 OK 50 50 - 100 Peak 3245 from cnoeabs.peaks (3.93, 4.43, 58.54 ppm; 3.11 A): 2 out of 7 assignments used, quality = 1.00: * HB2 SER 65 + HA SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 66 + HA SER 66 OK 55 55 100 100 2.3-3.0 3.0=100 HB2 SER 65 - HA SER 66 far 0 61 0 - 4.1-6.0 HB2 SER 66 - HA SER 65 far 0 96 0 - 4.3-6.0 HA GLN 53 - HA SER 65 far 0 99 0 - 7.6-21.9 HA LYS 27 - HA SER 65 far 0 63 0 - 9.1-23.6 HA GLN 53 - HA SER 66 far 0 59 0 - 9.7-25.7 Violated in 0 structures by 0.00 A. Peak 3246 from cnoeabs.peaks (3.87, 4.43, 58.54 ppm; 3.08 A increased from 2.90 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 65 + HA SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 66 + HA SER 66 OK 61 61 100 100 2.3-3.0 3.0=100 HB3 SER 66 - HA SER 65 far 0 100 0 - 4.2-6.6 HB3 SER 65 - HA SER 66 far 0 61 0 - 4.3-6.1 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (8.35, 3.93, 63.72 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * H SER 65 + HB2 SER 65 OK 100 100 100 100 2.2-3.9 3.9=100 H GLN 63 - HB2 SER 65 far 12 81 15 - 4.7-8.3 H GLN 63 - HB2 SER 66 far 9 60 15 - 2.1-13.1 H SER 65 - HB2 SER 66 lone 1 82 30 2 4.2-7.5 Violated in 0 structures by 0.00 A. Peak 3248 from cnoeabs.peaks (4.43, 3.93, 63.72 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 65 + HB2 SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 66 + HB2 SER 66 OK 69 69 100 100 2.3-3.0 3.0=100 HA TYR 57 - HB2 SER 65 far 5 100 5 - 3.1-19.0 HA SER 66 - HB2 SER 65 far 0 90 0 - 4.1-6.0 HA SER 65 - HB2 SER 66 far 0 82 0 - 4.3-6.0 HA TYR 57 - HB2 SER 66 far 0 82 0 - 6.1-20.7 Violated in 0 structures by 0.00 A. Peak 3249 from cnoeabs.peaks (3.93, 3.93, 63.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 65 + HB2 SER 65 OK 100 100 - 100 HB2 SER 66 + HB2 SER 66 OK 75 75 - 100 Peak 3250 from cnoeabs.peaks (3.87, 3.93, 63.72 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 65 + HB2 SER 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 66 + HB2 SER 66 OK 82 82 100 100 1.8-1.8 1.8=100 HB3 SER 65 - HB2 SER 66 far 0 82 0 - 3.7-7.6 HB3 SER 66 - HB2 SER 65 far 0 100 0 - 4.8-7.6 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (8.35, 3.87, 63.72 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: * H SER 65 + HB3 SER 65 OK 100 100 100 100 2.3-4.0 3.9=100 H SER 65 - HB3 SER 66 far 15 98 15 - 5.0-7.2 H GLN 63 - HB3 SER 66 far 11 76 15 - 3.4-12.2 H GLN 63 - HB3 SER 65 lone 0 81 25 2 3.9-8.0 Violated in 0 structures by 0.00 A. Peak 3252 from cnoeabs.peaks (4.43, 3.87, 63.72 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 65 + HB3 SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 66 + HB3 SER 66 OK 86 86 100 100 2.3-3.0 3.0=100 HA TYR 57 - HB3 SER 65 far 0 100 0 - 3.6-17.5 HA SER 65 - HB3 SER 66 far 0 98 0 - 4.2-6.6 HA SER 66 - HB3 SER 65 far 0 90 0 - 4.3-6.1 HA TYR 57 - HB3 SER 66 far 0 98 0 - 6.1-20.2 Violated in 0 structures by 0.00 A. Peak 3253 from cnoeabs.peaks (3.93, 3.87, 63.72 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 65 + HB3 SER 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 66 + HB3 SER 66 OK 92 92 100 100 1.8-1.8 1.8=100 HB2 SER 66 - HB3 SER 65 far 0 96 0 - 3.7-7.6 HB2 SER 65 - HB3 SER 66 far 0 98 0 - 4.8-7.6 HA GLN 53 - HB3 SER 65 far 0 99 0 - 7.0-23.1 HA GLN 53 - HB3 SER 66 far 0 96 0 - 9.0-24.1 Violated in 0 structures by 0.00 A. Peak 3254 from cnoeabs.peaks (3.87, 3.87, 63.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 65 + HB3 SER 65 OK 100 100 - 100 HB3 SER 66 + HB3 SER 66 OK 98 98 - 100 Peak 3255 from cnoeabs.peaks (8.28, 4.45, 58.33 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * H SER 66 + HA SER 66 OK 100 100 100 100 2.3-2.9 3.0=100 H SER 66 + HA SER 65 OK 61 61 100 100 2.1-3.6 3.6=100 H LYS 62 - HA SER 65 far 0 43 0 - 4.1-11.5 H LYS 62 - HA SER 66 far 0 81 0 - 4.5-14.3 H ASN 54 - HA SER 65 far 0 52 0 - 10.0-24.1 Violated in 0 structures by 0.00 A. Peak 3256 from cnoeabs.peaks (4.45, 4.45, 58.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 66 + HA SER 66 OK 100 100 - 100 HA SER 65 + HA SER 65 OK 50 50 - 100 Peak 3257 from cnoeabs.peaks (3.94, 4.45, 58.33 ppm; 3.07 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 66 + HA SER 66 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 65 + HA SER 65 OK 55 55 100 100 2.3-3.0 3.0=100 HB2 SER 65 - HA SER 66 far 0 96 0 - 4.1-6.0 HB2 SER 66 - HA SER 65 far 0 61 0 - 4.3-6.0 HA GLN 53 - HA SER 65 far 0 60 0 - 7.6-21.9 HA GLN 53 - HA SER 66 far 0 100 0 - 9.7-25.7 Violated in 0 structures by 0.00 A. Peak 3258 from cnoeabs.peaks (3.87, 4.45, 58.33 ppm; 3.09 A increased from 2.91 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 66 + HA SER 66 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 65 + HA SER 65 OK 61 61 100 100 2.3-3.0 3.0=100 HB3 SER 66 - HA SER 65 far 0 61 0 - 4.2-6.6 HB3 SER 65 - HA SER 66 far 0 100 0 - 4.3-6.1 Violated in 0 structures by 0.00 A. Peak 3260 from cnoeabs.peaks (4.45, 3.94, 63.84 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 66 + HB2 SER 66 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 65 + HB2 SER 65 OK 69 69 100 100 2.3-3.0 3.0=100 HA TYR 57 - HB2 SER 65 far 4 73 5 - 3.1-19.0 HA SER 66 - HB2 SER 65 far 0 82 0 - 4.1-6.0 HA SER 65 - HB2 SER 66 far 0 90 0 - 4.3-6.0 HA TYR 57 - HB2 SER 66 far 0 95 0 - 6.1-20.7 Violated in 0 structures by 0.00 A. Peak 3261 from cnoeabs.peaks (3.94, 3.94, 63.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 66 + HB2 SER 66 OK 100 100 - 100 HB2 SER 65 + HB2 SER 65 OK 75 75 - 100 Peak 3262 from cnoeabs.peaks (3.87, 3.94, 63.84 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 66 + HB2 SER 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 65 + HB2 SER 65 OK 82 82 100 100 1.8-1.8 1.8=100 HB3 SER 65 - HB2 SER 66 far 0 100 0 - 3.7-7.6 HB3 SER 66 - HB2 SER 65 far 0 82 0 - 4.8-7.6 Violated in 0 structures by 0.00 A. Peak 3264 from cnoeabs.peaks (4.45, 3.87, 63.84 ppm; 3.29 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 66 + HB3 SER 66 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 65 + HB3 SER 65 OK 86 86 100 100 2.3-3.0 3.0=100 HA TYR 57 - HB3 SER 65 far 0 90 0 - 3.6-17.5 HA SER 65 - HB3 SER 66 far 0 90 0 - 4.2-6.6 HA SER 66 - HB3 SER 65 far 0 98 0 - 4.3-6.1 HA TYR 57 - HB3 SER 66 far 0 95 0 - 6.1-20.2 Violated in 0 structures by 0.00 A. Peak 3265 from cnoeabs.peaks (3.94, 3.87, 63.84 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 66 + HB3 SER 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 65 + HB3 SER 65 OK 92 92 100 100 1.8-1.8 1.8=100 HB2 SER 66 - HB3 SER 65 far 0 98 0 - 3.7-7.6 HB2 SER 65 - HB3 SER 66 far 0 96 0 - 4.8-7.6 HA GLN 53 - HB3 SER 65 far 0 97 0 - 7.0-23.1 HA GLN 53 - HB3 SER 66 far 0 100 0 - 9.0-24.1 Violated in 0 structures by 0.00 A. Peak 3266 from cnoeabs.peaks (3.87, 3.87, 63.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 66 + HB3 SER 66 OK 100 100 - 100 HB3 SER 65 + HB3 SER 65 OK 98 98 - 100 Peak 3267 from cnoeabs.peaks (8.40, 4.31, 56.58 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 67 + HA GLU 67 OK 100 100 100 100 2.3-2.9 3.0=100 H GLN 63 - HA GLU 67 far 0 73 0 - 6.8-12.4 H LEU 64 - HA GLU 67 far 0 92 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 3268 from cnoeabs.peaks (4.31, 4.31, 56.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + HA GLU 67 OK 100 100 - 100 Peak 3269 from cnoeabs.peaks (2.09, 4.31, 56.58 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 67 + HA GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 63 - HA GLU 67 far 0 98 0 - 8.2-12.8 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (1.96, 4.31, 56.58 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + HA GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (2.28, 4.31, 56.58 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HA GLU 67 OK 100 100 100 100 2.2-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 3272 from cnoeabs.peaks (2.25, 4.31, 56.58 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HA GLU 67 OK 100 100 100 100 2.4-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 3273 from cnoeabs.peaks (8.40, 2.09, 29.91 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.2-3.9 4.0=100 H LEU 64 - HB2 GLU 67 far 0 92 0 - 7.5-11.9 H GLN 63 - HB2 GLU 67 far 0 73 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. Peak 3274 from cnoeabs.peaks (4.31, 2.09, 29.91 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 63 - HB2 GLU 67 far 0 100 0 - 7.5-14.1 Violated in 0 structures by 0.00 A. Peak 3275 from cnoeabs.peaks (2.09, 2.09, 29.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + HB2 GLU 67 OK 100 100 - 100 Peak 3276 from cnoeabs.peaks (1.96, 2.09, 29.91 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 67 + HB2 GLU 67 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 55 - HB2 GLU 67 far 0 96 0 - 7.5-33.0 Violated in 0 structures by 0.00 A. Peak 3277 from cnoeabs.peaks (2.28, 2.09, 29.91 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.3-2.6 2.8=100 Violated in 0 structures by 0.00 A. Peak 3278 from cnoeabs.peaks (2.25, 2.09, 29.91 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.3-3.0 2.8=100 HB3 GLN 53 - HB2 GLU 67 far 0 65 0 - 8.7-31.7 Violated in 3 structures by 0.00 A. Peak 3279 from cnoeabs.peaks (8.40, 1.96, 29.91 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 67 + HB3 GLU 67 OK 100 100 100 100 2.3-3.8 4.0=100 H GLU 20 - HB2 ARG 21 far 0 69 0 - 4.6-5.0 H GLU 20 - HB3 ARG 21 far 0 63 0 - 6.1-6.4 H GLN 63 - HB3 GLU 67 far 0 73 0 - 7.6-13.9 H LEU 64 - HB3 GLU 67 far 0 92 0 - 7.6-13.2 Violated in 0 structures by 0.00 A. Peak 3280 from cnoeabs.peaks (4.31, 1.96, 29.91 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HB3 GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 63 - HB3 GLU 67 far 0 100 0 - 7.5-14.2 Violated in 0 structures by 0.00 A. Peak 3281 from cnoeabs.peaks (2.09, 1.96, 29.91 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 67 + HB3 GLU 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 22 - HB2 ARG 21 far 0 35 0 - 3.9-4.5 HB2 LYS 22 - HB3 ARG 21 far 0 32 0 - 4.3-5.5 HB2 GLN 63 - HB3 GLU 67 far 0 98 0 - 8.6-14.3 HB VAL 16 - HB2 ARG 21 far 0 66 0 - 9.3-10.1 HB VAL 16 - HB3 GLU 67 far 0 96 0 - 9.6-39.1 Violated in 0 structures by 0.00 A. Peak 3282 from cnoeabs.peaks (1.96, 1.96, 29.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 67 + HB3 GLU 67 OK 100 100 - 100 HB2 ARG 21 + HB2 ARG 21 OK 71 71 - 100 HB3 ARG 21 + HB3 ARG 21 OK 63 63 - 100 Peak 3283 from cnoeabs.peaks (2.28, 1.96, 29.91 ppm; 3.75 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 67 + HB3 GLU 67 OK 100 100 100 100 3.0-3.0 2.8=100 HG2 GLU 18 - HB2 ARG 21 far 0 73 0 - 6.5-7.1 HG2 GLU 18 - HB3 ARG 21 far 0 67 0 - 7.9-8.6 HG2 GLN 26 - HB3 ARG 21 far 0 65 0 - 8.4-10.3 HG2 GLN 26 - HB2 ARG 21 far 0 70 0 - 8.6-10.9 HG2 GLN 15 - HB2 ARG 21 far 0 58 0 - 9.6-11.4 HG3 GLN 26 - HB3 ARG 21 far 0 64 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (2.25, 1.96, 29.91 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 67 + HB3 GLU 67 OK 100 100 100 100 2.3-2.7 2.8=100 HB3 GLN 53 - HB3 GLU 67 far 0 65 0 - 9.5-31.8 Violated in 0 structures by 0.00 A. Peak 3286 from cnoeabs.peaks (4.31, 2.28, 36.01 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HG2 GLU 67 OK 100 100 100 100 2.2-3.6 3.7=100 HA GLN 63 - HG2 GLU 67 far 0 100 0 - 6.0-13.7 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (2.09, 2.28, 36.01 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 67 + HG2 GLU 67 OK 100 100 100 100 2.3-2.6 2.8=100 HB2 GLN 63 - HG2 GLU 67 far 0 98 0 - 6.2-14.3 Violated in 0 structures by 0.00 A. Peak 3288 from cnoeabs.peaks (1.96, 2.28, 36.01 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 67 + HG2 GLU 67 OK 100 100 100 100 3.0-3.0 2.8=100 HD3 ARG 55 - HG2 GLU 67 far 0 96 0 - 9.5-31.9 Violated in 0 structures by 0.00 A. Peak 3289 from cnoeabs.peaks (2.28, 2.28, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HG2 GLU 67 OK 100 100 - 100 Peak 3290 from cnoeabs.peaks (2.25, 2.28, 36.01 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 67 + HG2 GLU 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 53 - HG2 GLU 67 far 0 65 0 - 8.7-30.7 Violated in 0 structures by 0.00 A. Peak 3292 from cnoeabs.peaks (4.31, 2.25, 36.01 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HG3 GLU 67 OK 100 100 100 100 2.4-4.2 3.7=100 HA GLN 63 - HG3 GLU 67 far 0 100 0 - 6.0-14.3 Violated in 0 structures by 0.00 A. Peak 3293 from cnoeabs.peaks (2.09, 2.25, 36.01 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 67 + HG3 GLU 67 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 GLN 63 - HG3 GLU 67 far 0 98 0 - 7.3-15.2 HB VAL 16 - HG3 GLU 67 far 0 96 0 - 9.1-39.0 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (1.96, 2.25, 36.01 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 67 + HG3 GLU 67 OK 100 100 100 100 2.3-2.7 2.8=100 HD3 ARG 55 - HG3 GLU 67 far 0 96 0 - 8.3-33.7 Violated in 0 structures by 0.00 A. Peak 3295 from cnoeabs.peaks (2.28, 2.25, 36.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HG3 GLU 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (2.25, 2.25, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HG3 GLU 67 OK 100 100 - 100 Peak 3297 from cnoeabs.peaks (8.14, 4.36, 54.95 ppm; 4.95 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 68 + HA LEU 68 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 61 - HA LEU 68 far 3 57 5 - 5.0-21.7 H LEU 68 - HA LEU 64 far 0 72 0 - 7.3-12.0 H LEU 68 - HA ASN 54 far 0 88 0 - 7.5-28.1 H ARG 61 - HA LEU 64 far 0 34 0 - 8.0-12.4 H LYS 27 - HA LEU 64 far 0 49 0 - 9.7-25.3 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (4.36, 4.36, 54.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HA LEU 68 OK 100 100 - 100 HA ASN 54 + HA ASN 54 OK 85 85 - 100 HA LEU 64 + HA LEU 64 OK 65 65 - 100 Peak 3299 from cnoeabs.peaks (1.64, 4.36, 54.95 ppm; 3.41 A): 6 out of 16 assignments used, quality = 1.00: * HB2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 68 + HA LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 59 81 80 92 2.3-3.7 3.6=82, 2.1/3326=27...(7) HG LEU 64 + HA LEU 64 OK 55 71 80 96 2.3-3.7 3.7=80, 3222/2.9=33...(9) HB3 LEU 64 + HA LEU 64 OK 54 54 100 100 2.5-3.0 3.0=100 HB2 LEU 64 + HA LEU 64 OK 43 43 100 100 2.4-3.0 3.0=100 HB2 LEU 68 - HA ASN 54 far 0 88 0 - 5.8-28.9 HB3 LEU 68 - HA ASN 54 far 0 87 0 - 5.9-28.7 HG LEU 68 - HA ASN 54 far 0 65 0 - 6.4-30.0 HB2 LEU 68 - HA LEU 64 far 0 72 0 - 7.9-14.0 HG LEU 64 - HA LEU 68 far 0 100 0 - 8.0-16.3 HB3 LEU 64 - HA LEU 68 far 0 85 0 - 8.1-14.9 HB3 LEU 68 - HA LEU 64 far 0 70 0 - 8.6-14.4 HG LEU 68 - HA LEU 64 far 0 51 0 - 8.7-15.9 HB2 LEU 64 - HA LEU 68 far 0 71 0 - 9.0-15.3 HB3 LEU 64 - HA ASN 54 far 0 69 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3300 from cnoeabs.peaks (1.63, 4.36, 54.95 ppm; 3.41 A): 5 out of 14 assignments used, quality = 1.00: * HB3 LEU 68 + HA LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 67 90 80 92 2.3-3.7 3.6=82, 2.1/3326=27...(7) HB3 LEU 64 + HA LEU 64 OK 62 62 100 100 2.5-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 52 68 80 96 2.3-3.7 3.7=80, 3222/2.9=33...(9) HB2 LEU 68 - HA ASN 54 far 0 87 0 - 5.8-28.9 HB3 LEU 68 - HA ASN 54 far 0 88 0 - 5.9-28.7 HG LEU 68 - HA ASN 54 far 0 75 0 - 6.4-30.0 HB2 LEU 68 - HA LEU 64 far 0 70 0 - 7.9-14.0 HG LEU 64 - HA LEU 68 far 0 99 0 - 8.0-16.3 HB3 LEU 64 - HA LEU 68 far 0 93 0 - 8.1-14.9 HB3 LEU 68 - HA LEU 64 far 0 72 0 - 8.6-14.4 HG LEU 68 - HA LEU 64 far 0 59 0 - 8.7-15.9 HB3 LEU 64 - HA ASN 54 far 0 78 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3301 from cnoeabs.peaks (1.61, 4.36, 54.95 ppm; 3.53 A): 5 out of 19 assignments used, quality = 1.00: HB3 LEU 68 + HA LEU 68 OK 90 90 100 100 2.4-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 81 81 100 100 2.4-3.0 3.0=100 * HG LEU 68 + HA LEU 68 OK 77 100 80 96 2.3-3.7 3.6=91, 2.1/3326=29...(7) HB3 LEU 64 + HA LEU 64 OK 71 71 100 100 2.5-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 35 45 80 98 2.3-3.7 3.7=89, ~3236=23...(9) HB2 LEU 68 - HA ASN 54 far 0 65 0 - 5.8-28.9 HB3 LEU 68 - HA ASN 54 far 0 75 0 - 5.9-28.7 HG2 ARG 61 - HA LEU 64 far 0 54 0 - 6.3-12.9 HG LEU 68 - HA ASN 54 far 0 88 0 - 6.4-30.0 HG3 ARG 61 - HA LEU 68 far 0 83 0 - 7.0-23.1 HG2 ARG 61 - HA LEU 68 far 0 85 0 - 7.2-23.2 HG3 ARG 61 - HA LEU 64 far 0 52 0 - 7.6-13.3 HB2 LEU 68 - HA LEU 64 far 0 51 0 - 7.9-14.0 HG LEU 64 - HA LEU 68 far 0 73 0 - 8.0-16.3 HB3 LEU 64 - HA LEU 68 far 0 100 0 - 8.1-14.9 HB3 LEU 68 - HA LEU 64 far 0 59 0 - 8.6-14.4 HG LEU 68 - HA LEU 64 far 0 72 0 - 8.7-15.9 HG2 ARG 61 - HA ASN 54 far 0 69 0 - 9.1-17.1 HB3 LEU 64 - HA ASN 54 far 0 88 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3302 from cnoeabs.peaks (0.86, 4.36, 54.95 ppm; 3.90 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 68 + HA LEU 68 OK 99 100 100 99 2.0-3.9 3.9=99, 3651/3.6=21...(7) QD2 LEU 68 + HA LEU 68 OK 90 100 90 100 2.0-4.1 3.9=99, 2.1/3326=35...(7) QD2 LEU 64 + HA LEU 64 OK 63 63 100 100 2.0-3.9 3.9=100 QD2 LEU 64 - HA LEU 68 far 0 95 0 - 5.4-13.0 QD1 LEU 68 - HA LEU 64 far 0 72 0 - 6.4-12.8 QD2 LEU 68 - HA ASN 54 far 0 88 0 - 6.8-24.9 QD1 LEU 68 - HA ASN 54 far 0 88 0 - 6.9-25.6 QD2 LEU 68 - HA LEU 64 far 0 71 0 - 7.4-13.6 QD2 LEU 64 - HA ASN 54 far 0 79 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3303 from cnoeabs.peaks (0.86, 4.36, 54.95 ppm; 3.90 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 68 + HA LEU 68 OK 99 100 100 99 2.0-3.9 3.9=99, 3651/3.6=21...(7) * QD2 LEU 68 + HA LEU 68 OK 90 100 90 100 2.0-4.1 3.9=99, 2.1/3326=35...(7) QD2 LEU 64 + HA LEU 64 OK 66 66 100 100 2.0-3.9 3.9=100 QD2 LEU 64 - HA LEU 68 far 0 97 0 - 5.4-13.0 QD1 LEU 68 - HA LEU 64 far 0 71 0 - 6.4-12.8 QD2 LEU 68 - HA ASN 54 far 0 88 0 - 6.8-24.9 QD1 LEU 68 - HA ASN 54 far 0 88 0 - 6.9-25.6 QD2 LEU 68 - HA LEU 64 far 0 72 0 - 7.4-13.6 QD2 LEU 64 - HA ASN 54 far 0 83 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3304 from cnoeabs.peaks (8.14, 1.64, 42.41 ppm; 4.88 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.2-3.6 3.8=100 H LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.4-4.0 3.8=100 H ARG 61 - HB2 LEU 68 far 0 57 0 - 5.8-21.1 H ARG 61 - HB3 LEU 68 far 0 55 0 - 6.1-22.0 H LEU 68 - HB3 LEU 64 far 0 61 0 - 6.2-13.1 H ARG 61 - HB3 LEU 64 far 0 28 0 - 7.0-14.6 H LYS 27 - HB3 LEU 64 far 0 41 0 - 8.1-26.4 H THR 46 - HB2 LEU 41 far 0 57 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (4.36, 1.64, 42.41 ppm; 3.62 A): 4 out of 12 assignments used, quality = 1.00: * HA LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.4-3.0 3.0=100 HA LEU 64 + HB3 LEU 64 OK 55 55 100 100 2.5-3.0 3.0=100 HA LEU 41 + HB2 LEU 41 OK 37 37 100 100 3.0-3.0 3.0=100 HA ASN 54 - HB2 LEU 68 far 0 99 0 - 5.8-28.9 HA ASN 54 - HB3 LEU 68 far 0 97 0 - 5.9-28.7 HA ASN 40 - HB2 LEU 41 far 0 54 0 - 6.0-6.1 HB2 SER 12 - HB2 LEU 41 far 0 52 0 - 7.3-10.6 HA LEU 64 - HB2 LEU 68 far 0 97 0 - 7.9-14.0 HA LEU 68 - HB3 LEU 64 far 0 61 0 - 8.1-14.9 HA LEU 64 - HB3 LEU 68 far 0 94 0 - 8.6-14.4 HA ASN 54 - HB3 LEU 64 far 0 58 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3306 from cnoeabs.peaks (1.64, 1.64, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 HB3 LEU 68 + HB3 LEU 68 OK 98 98 - 100 HB3 LEU 64 + HB3 LEU 64 OK 45 45 - 100 HB2 LEU 41 + HB2 LEU 41 OK 42 42 - 100 Peak 3307 from cnoeabs.peaks (1.63, 1.64, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 HB3 LEU 68 + HB3 LEU 68 OK 99 99 - 100 HB3 LEU 64 + HB3 LEU 64 OK 52 52 - 100 HB2 LEU 41 + HB2 LEU 41 OK 49 49 - 100 Reference assignment not found: HB3 LEU 68 - HB2 LEU 68 Peak 3308 from cnoeabs.peaks (1.61, 1.64, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 68 + HB3 LEU 68 OK 87 87 - 100 HB2 LEU 68 + HB2 LEU 68 OK 81 81 - 100 HB3 LEU 64 + HB3 LEU 64 OK 61 61 - 100 HB2 LEU 41 + HB2 LEU 41 OK 57 57 - 100 Reference assignment not found: HG LEU 68 - HB2 LEU 68 Peak 3309 from cnoeabs.peaks (0.86, 1.64, 42.41 ppm; 3.91 A): 6 out of 10 assignments used, quality = 1.00: * QD1 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 53 53 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 26 55 50 94 3.6-4.3 ~4819=52, 4041/414=45...(9) QD2 LEU 64 - HB3 LEU 68 far 0 92 0 - 4.4-13.7 QD2 LEU 64 - HB2 LEU 68 far 0 95 0 - 4.7-13.3 QD2 LEU 68 - HB3 LEU 64 far 0 61 0 - 6.2-14.6 QD1 LEU 68 - HB3 LEU 64 far 0 61 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3310 from cnoeabs.peaks (0.86, 1.64, 42.41 ppm; 3.91 A): 6 out of 10 assignments used, quality = 1.00: * QD2 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 56 56 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 27 57 50 95 3.6-4.3 ~4819=52, 4041/414=45...(9) QD2 LEU 64 - HB3 LEU 68 far 0 95 0 - 4.4-13.7 QD2 LEU 64 - HB2 LEU 68 far 0 97 0 - 4.7-13.3 QD2 LEU 68 - HB3 LEU 64 far 0 61 0 - 6.2-14.6 QD1 LEU 68 - HB3 LEU 64 far 0 61 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3311 from cnoeabs.peaks (8.14, 1.63, 42.41 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.4-4.0 3.8=100 H LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.2-3.6 3.8=100 H ARG 61 - HB2 LEU 68 far 0 55 0 - 5.8-21.1 H ARG 61 - HB3 LEU 68 far 0 57 0 - 6.1-22.0 H LEU 68 - HB3 LEU 64 far 0 80 0 - 6.2-13.1 H ARG 61 - HB3 LEU 64 far 0 39 0 - 7.0-14.6 H LYS 27 - HB3 LEU 64 far 0 56 0 - 8.1-26.4 H THR 46 - HB2 LEU 41 far 0 76 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 3312 from cnoeabs.peaks (4.36, 1.63, 42.41 ppm; 3.43 A): 4 out of 12 assignments used, quality = 1.00: * HA LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.4-3.0 3.0=100 HA LEU 64 + HB3 LEU 64 OK 74 74 100 100 2.5-3.0 3.0=100 HA LEU 41 + HB2 LEU 41 OK 50 50 100 100 3.0-3.0 3.0=100 HA ASN 54 - HB2 LEU 68 far 0 97 0 - 5.8-28.9 HA ASN 54 - HB3 LEU 68 far 0 99 0 - 5.9-28.7 HA ASN 40 - HB2 LEU 41 far 0 72 0 - 6.0-6.1 HB2 SER 12 - HB2 LEU 41 far 0 70 0 - 7.3-10.6 HA LEU 64 - HB2 LEU 68 far 0 94 0 - 7.9-14.0 HA LEU 68 - HB3 LEU 64 far 0 80 0 - 8.1-14.9 HA LEU 64 - HB3 LEU 68 far 0 97 0 - 8.6-14.4 HA ASN 54 - HB3 LEU 64 far 0 77 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 3313 from cnoeabs.peaks (1.64, 1.63, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 68 + HB3 LEU 68 OK 100 100 - 100 HB2 LEU 68 + HB2 LEU 68 OK 99 99 - 100 HB3 LEU 64 + HB3 LEU 64 OK 62 62 - 100 HB2 LEU 41 + HB2 LEU 41 OK 58 58 - 100 Reference assignment not found: HB2 LEU 68 - HB3 LEU 68 Peak 3314 from cnoeabs.peaks (1.63, 1.63, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 68 + HB3 LEU 68 OK 100 100 - 100 HB2 LEU 68 + HB2 LEU 68 OK 98 98 - 100 HB3 LEU 64 + HB3 LEU 64 OK 70 70 - 100 HB2 LEU 41 + HB2 LEU 41 OK 66 66 - 100 Peak 3315 from cnoeabs.peaks (1.61, 1.63, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 68 + HB3 LEU 68 OK 90 90 - 100 HB3 LEU 64 + HB3 LEU 64 OK 80 80 - 100 HB2 LEU 68 + HB2 LEU 68 OK 78 78 - 100 HB2 LEU 41 + HB2 LEU 41 OK 76 76 - 100 Reference assignment not found: HG LEU 68 - HB3 LEU 68 Peak 3316 from cnoeabs.peaks (0.86, 1.63, 42.41 ppm; 3.87 A): 5 out of 10 assignments used, quality = 1.00: * QD1 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 71 71 100 100 2.0-3.2 3.1=100 QD2 LEU 43 - HB2 LEU 41 poor 18 74 25 - 3.6-4.3 QD2 LEU 64 - HB3 LEU 68 far 0 95 0 - 4.4-13.7 QD2 LEU 64 - HB2 LEU 68 far 0 92 0 - 4.7-13.3 QD2 LEU 68 - HB3 LEU 64 far 0 80 0 - 6.2-14.6 QD1 LEU 68 - HB3 LEU 64 far 0 80 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3317 from cnoeabs.peaks (0.86, 1.63, 42.41 ppm; 3.87 A): 5 out of 10 assignments used, quality = 1.00: * QD2 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 75 75 100 100 2.0-3.2 3.1=100 QD2 LEU 43 - HB2 LEU 41 poor 19 75 25 - 3.6-4.3 QD2 LEU 64 - HB3 LEU 68 far 0 97 0 - 4.4-13.7 QD2 LEU 64 - HB2 LEU 68 far 0 95 0 - 4.7-13.3 QD2 LEU 68 - HB3 LEU 64 far 0 80 0 - 6.2-14.6 QD1 LEU 68 - HB3 LEU 64 far 0 80 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (4.36, 1.61, 26.77 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HG LEU 68 OK 100 100 100 100 2.3-3.7 3.6=100 HA ASN 54 - HG LEU 68 far 0 99 0 - 6.4-30.0 HA LEU 64 - HG LEU 68 far 0 97 0 - 8.7-15.9 Violated in 0 structures by 0.00 A. Peak 3320 from cnoeabs.peaks (1.64, 1.61, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HG LEU 68 + HG LEU 68 OK 81 81 - 100 Reference assignment not found: HB2 LEU 68 - HG LEU 68 Peak 3321 from cnoeabs.peaks (1.63, 1.61, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HG LEU 68 + HG LEU 68 OK 90 90 - 100 Reference assignment not found: HB3 LEU 68 - HG LEU 68 Peak 3322 from cnoeabs.peaks (1.61, 1.61, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + HG LEU 68 OK 100 100 - 100 Peak 3323 from cnoeabs.peaks (0.86, 1.61, 26.77 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 - HG LEU 68 far 0 95 0 - 5.6-15.2 Violated in 0 structures by 0.00 A. Peak 3324 from cnoeabs.peaks (0.86, 1.61, 26.77 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 - HG LEU 68 far 0 97 0 - 5.6-15.2 Violated in 0 structures by 0.00 A. Peak 3326 from cnoeabs.peaks (4.36, 0.86, 23.20 ppm; 3.73 A increased from 3.51 A): 3 out of 9 assignments used, quality = 0.98: * HA LEU 68 + QD1 LEU 68 OK 90 100 95 94 2.0-3.9 3.9=86, 3302/2.1=23...(7) HA LEU 64 + QD2 LEU 64 OK 56 77 75 98 2.0-3.9 3.9=87, 2.9/3236=29...(9) HA LEU 68 + QD2 LEU 68 OK 47 99 50 95 2.0-4.1 3.9=86, 3302/2.1=26...(7) HA LEU 68 - QD2 LEU 64 far 0 83 0 - 5.4-13.0 HA LEU 64 - QD1 LEU 68 far 0 97 0 - 6.4-12.8 HA ASN 54 - QD2 LEU 68 far 0 97 0 - 6.8-24.9 HA ASN 54 - QD1 LEU 68 far 0 99 0 - 6.9-25.6 HA LEU 64 - QD2 LEU 68 far 0 95 0 - 7.4-13.6 HA ASN 54 - QD2 LEU 64 far 0 80 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3327 from cnoeabs.peaks (1.64, 0.86, 23.20 ppm; 3.33 A): 9 out of 18 assignments used, quality = 1.00: * HB2 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 83 83 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 79 79 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 64 64 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 52 52 100 100 2.1-3.2 3.1=100 HB3 LEU 68 - QD2 LEU 64 far 0 82 0 - 4.4-13.7 HB2 LEU 68 - QD2 LEU 64 far 0 83 0 - 4.7-13.3 HG LEU 68 - QD2 LEU 64 far 0 60 0 - 5.6-15.2 HB3 LEU 64 - QD2 LEU 68 far 0 83 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 99 0 - 6.4-16.0 HB2 LEU 64 - QD1 LEU 68 far 0 71 0 - 6.4-14.8 HG LEU 64 - QD1 LEU 68 far 0 100 0 - 6.5-15.4 HB3 LEU 64 - QD1 LEU 68 far 0 85 0 - 6.9-14.2 HB2 LEU 64 - QD2 LEU 68 far 0 69 0 - 7.0-15.4 Violated in 0 structures by 0.00 A. Peak 3328 from cnoeabs.peaks (1.63, 0.86, 23.20 ppm; 3.33 A): 8 out of 15 assignments used, quality = 1.00: * HB3 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 HG LEU 68 + QD1 LEU 68 OK 90 90 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 89 89 100 100 2.1-2.1 2.1=100 HG LEU 64 + QD2 LEU 64 OK 80 80 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 73 73 100 100 2.0-3.2 3.1=100 HB3 LEU 68 - QD2 LEU 64 far 0 83 0 - 4.4-13.7 HB2 LEU 68 - QD2 LEU 64 far 0 82 0 - 4.7-13.3 HG LEU 68 - QD2 LEU 64 far 0 69 0 - 5.6-15.2 HB3 LEU 64 - QD2 LEU 68 far 0 92 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 97 0 - 6.4-16.0 HG LEU 64 - QD1 LEU 68 far 0 99 0 - 6.5-15.4 HB3 LEU 64 - QD1 LEU 68 far 0 93 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (1.61, 0.86, 23.20 ppm; 3.60 A): 8 out of 21 assignments used, quality = 1.00: * HG LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD1 LEU 68 OK 90 90 100 100 2.3-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 89 89 100 100 2.0-3.2 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 83 83 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 81 81 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 79 79 100 100 2.3-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 54 54 100 100 2.1-2.1 2.1=100 HG2 ARG 61 - QD2 LEU 68 far 4 83 5 - 2.2-20.9 HG3 ARG 61 - QD2 LEU 68 far 4 81 5 - 2.8-20.2 HB3 LEU 68 - QD2 LEU 64 far 0 69 0 - 4.4-13.7 HG2 ARG 61 - QD1 LEU 68 far 0 85 0 - 4.5-20.3 HB2 LEU 68 - QD2 LEU 64 far 0 60 0 - 4.7-13.3 HG3 ARG 61 - QD1 LEU 68 far 0 83 0 - 5.2-19.8 HG LEU 68 - QD2 LEU 64 far 0 83 0 - 5.6-15.2 HG2 ARG 61 - QD2 LEU 64 far 0 64 0 - 6.0-13.4 HB3 LEU 64 - QD2 LEU 68 far 0 99 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 71 0 - 6.4-16.0 HG LEU 64 - QD1 LEU 68 far 0 73 0 - 6.5-15.4 HG3 ARG 61 - QD2 LEU 64 far 0 62 0 - 6.6-14.4 HB3 LEU 64 - QD1 LEU 68 far 0 100 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3330 from cnoeabs.peaks (0.86, 0.86, 23.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 68 + QD1 LEU 68 OK 100 100 - 100 QD2 LEU 68 + QD2 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 74 74 - 100 Peak 3331 from cnoeabs.peaks (0.86, 0.86, 23.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 68 + QD1 LEU 68 OK 100 100 - 100 QD2 LEU 68 + QD2 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 78 78 - 100 Reference assignment not found: QD2 LEU 68 - QD1 LEU 68 Peak 3333 from cnoeabs.peaks (4.36, 0.86, 23.15 ppm; 3.73 A increased from 3.51 A): 3 out of 9 assignments used, quality = 0.98: HA LEU 68 + QD1 LEU 68 OK 89 99 95 94 2.0-3.9 3.9=86, 3302/2.1=23...(7) HA LEU 64 + QD2 LEU 64 OK 61 82 75 98 2.0-3.9 3.9=87, 2.9/3236=33...(9) * HA LEU 68 + QD2 LEU 68 OK 47 100 50 95 2.0-4.1 3.9=86, 3302/2.1=26...(7) HA LEU 68 - QD2 LEU 64 far 0 89 0 - 5.4-13.0 HA LEU 64 - QD1 LEU 68 far 0 95 0 - 6.4-12.8 HA ASN 54 - QD2 LEU 68 far 0 99 0 - 6.8-24.9 HA ASN 54 - QD1 LEU 68 far 0 97 0 - 6.9-25.6 HA LEU 64 - QD2 LEU 68 far 0 97 0 - 7.4-13.6 HA ASN 54 - QD2 LEU 64 far 0 85 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (1.64, 0.86, 23.15 ppm; 3.33 A): 9 out of 18 assignments used, quality = 1.00: * HB2 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 88 88 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 79 79 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 70 70 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 57 57 100 100 2.1-3.2 3.1=100 HB3 LEU 68 - QD2 LEU 64 far 0 87 0 - 4.4-13.7 HB2 LEU 68 - QD2 LEU 64 far 0 89 0 - 4.7-13.3 HG LEU 68 - QD2 LEU 64 far 0 66 0 - 5.6-15.2 HB3 LEU 64 - QD2 LEU 68 far 0 85 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 100 0 - 6.4-16.0 HB2 LEU 64 - QD1 LEU 68 far 0 69 0 - 6.4-14.8 HG LEU 64 - QD1 LEU 68 far 0 99 0 - 6.5-15.4 HB3 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.9-14.2 HB2 LEU 64 - QD2 LEU 68 far 0 71 0 - 7.0-15.4 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (1.63, 0.86, 23.15 ppm; 3.33 A): 8 out of 15 assignments used, quality = 1.00: * HB3 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HG LEU 68 + QD2 LEU 68 OK 90 90 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 89 89 100 100 2.1-2.1 2.1=100 HG LEU 64 + QD2 LEU 64 OK 85 85 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.0-3.2 3.1=100 HB3 LEU 68 - QD2 LEU 64 far 0 89 0 - 4.4-13.7 HB2 LEU 68 - QD2 LEU 64 far 0 87 0 - 4.7-13.3 HG LEU 68 - QD2 LEU 64 far 0 75 0 - 5.6-15.2 HB3 LEU 64 - QD2 LEU 68 far 0 93 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 99 0 - 6.4-16.0 HG LEU 64 - QD1 LEU 68 far 0 97 0 - 6.5-15.4 HB3 LEU 64 - QD1 LEU 68 far 0 92 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3336 from cnoeabs.peaks (1.61, 0.86, 23.15 ppm; 3.60 A): 8 out of 21 assignments used, quality = 1.00: * HG LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD2 LEU 68 OK 90 90 100 100 2.0-3.2 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 89 89 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 89 89 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 81 81 100 100 2.3-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 79 79 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 59 59 100 100 2.1-2.1 2.1=100 HG2 ARG 61 - QD2 LEU 68 far 4 85 5 - 2.2-20.9 HG3 ARG 61 - QD2 LEU 68 far 4 83 5 - 2.8-20.2 HB3 LEU 68 - QD2 LEU 64 far 0 75 0 - 4.4-13.7 HG2 ARG 61 - QD1 LEU 68 far 0 83 0 - 4.5-20.3 HB2 LEU 68 - QD2 LEU 64 far 0 66 0 - 4.7-13.3 HG3 ARG 61 - QD1 LEU 68 far 0 81 0 - 5.2-19.8 HG LEU 68 - QD2 LEU 64 far 0 89 0 - 5.6-15.2 HG2 ARG 61 - QD2 LEU 64 far 0 70 0 - 6.0-13.4 HB3 LEU 64 - QD2 LEU 68 far 0 100 0 - 6.2-14.6 HG LEU 64 - QD2 LEU 68 far 0 73 0 - 6.4-16.0 HG LEU 64 - QD1 LEU 68 far 0 71 0 - 6.5-15.4 HG3 ARG 61 - QD2 LEU 64 far 0 68 0 - 6.6-14.4 HB3 LEU 64 - QD1 LEU 68 far 0 99 0 - 6.9-14.2 Violated in 0 structures by 0.00 A. Peak 3337 from cnoeabs.peaks (0.86, 0.86, 23.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 QD1 LEU 68 + QD1 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 80 80 - 100 Reference assignment not found: QD1 LEU 68 - QD2 LEU 68 Peak 3338 from cnoeabs.peaks (0.86, 0.86, 23.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 QD1 LEU 68 + QD1 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 84 84 - 100 Peak 3339 from cnoeabs.peaks (7.90, 3.75, 45.95 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 69 + HA2 GLY 69 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 69 + HA3 GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 Peak 3341 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 Reference assignment not found: HA3 GLY 69 - HA2 GLY 69 Peak 3342 from cnoeabs.peaks (7.90, 3.75, 45.95 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 69 + HA3 GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 69 + HA2 GLY 69 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3343 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 Reference assignment not found: HA2 GLY 69 - HA3 GLY 69 Peak 3344 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 Peak 3345 from cnoeabs.peaks (8.23, 4.69, 56.00 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (9.36, 4.66, 55.35 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.90: * H SER 12 + HA MET 11 OK 90 100 90 100 2.2-3.6 7=99, 8/3.0=41...(4) Violated in 2 structures by 0.02 A. Peak 3350 from cnoeabs.peaks (9.36, 2.00, 34.98 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB2 MET 11 OK 100 100 100 100 2.2-3.2 8=100, 3349/3.0=73...(8) Violated in 0 structures by 0.00 A. Peak 3351 from cnoeabs.peaks (9.36, 1.83, 34.98 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB3 MET 11 OK 100 100 100 100 2.2-4.0 4.3=100 Violated in 0 structures by 0.00 A. Peak 3353 from cnoeabs.peaks (7.92, 4.38, 59.74 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HA HIS 13 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3354 from cnoeabs.peaks (7.92, 3.21, 29.61 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HB2 HIS 13 OK 100 100 100 100 2.2-3.8 12=100, 13/1.8=89 Violated in 0 structures by 0.00 A. Peak 3355 from cnoeabs.peaks (7.92, 3.27, 29.61 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HB3 HIS 13 OK 100 100 100 100 3.6-4.0 13=100, 12/1.8=94 Violated in 0 structures by 0.00 A. Peak 3357 from cnoeabs.peaks (7.51, 3.81, 65.62 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HA THR 14 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3358 from cnoeabs.peaks (7.51, 4.04, 68.52 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.98: * H GLN 15 + HB THR 14 OK 98 100 100 98 2.5-3.0 17=90, 866/504=58, 508/4006=44 HE22 GLN 53 - HB THR 46 far 0 50 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3359 from cnoeabs.peaks (7.51, 1.21, 21.82 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + QG2 THR 14 OK 100 100 100 100 3.4-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3360 from cnoeabs.peaks (7.83, 3.79, 59.35 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HA GLN 15 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3361 from cnoeabs.peaks (7.83, 2.50, 28.07 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HB2 GLN 15 OK 100 100 100 100 3.7-4.0 22/1.8=86, 4.7=86...(9) Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (7.83, 1.63, 28.07 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HB3 GLN 15 OK 100 100 100 100 2.4-2.8 22=100, 3361/1.8=82...(7) Violated in 0 structures by 0.00 A. Peak 3363 from cnoeabs.peaks (7.83, 2.30, 35.21 ppm; 4.57 A increased from 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HG2 GLN 15 OK 100 100 100 100 4.2-4.6 3364/1.8=86, 22/3.0=73...(6) Violated in 2 structures by 0.00 A. Peak 3364 from cnoeabs.peaks (7.83, 2.48, 35.21 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HG3 GLN 15 OK 100 100 100 100 3.3-4.0 3363/1.8=68, 22/3.0=64...(10) Violated in 0 structures by 0.00 A. Peak 3365 from cnoeabs.peaks (8.01, 3.23, 67.30 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 17 + HA VAL 16 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 19 + HA VAL 16 OK 67 68 100 98 3.3-3.7 945=56, 4.0/3679=48...(9) H LYS 22 - HA VAL 16 far 0 83 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 3366 from cnoeabs.peaks (8.01, 2.07, 31.49 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HB VAL 16 OK 100 100 100 100 2.5-3.0 29=100, 30/2.1=67...(7) H LEU 19 - HB VAL 16 far 0 68 0 - 5.4-5.7 H LYS 22 - HB VAL 16 far 0 83 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (8.01, 1.01, 23.28 ppm; 4.42 A): 1 out of 10 assignments used, quality = 1.00: * H ILE 17 + QG2 VAL 16 OK 100 100 100 100 3.8-4.0 4.3=100 H LEU 19 - QG2 VAL 16 far 0 68 0 - 5.2-5.5 H GLN 53 - QG1 VAL 48 far 0 31 0 - 5.5-6.3 H LEU 19 - QG1 VAL 48 far 0 28 0 - 6.2-7.0 H ASN 40 - QG1 VAL 48 far 0 48 0 - 6.5-7.1 H HIS 36 - QG1 VAL 48 far 0 36 0 - 6.7-7.2 H LYS 22 - QG1 VAL 48 far 0 36 0 - 7.0-7.6 H LYS 22 - QG2 VAL 16 far 0 83 0 - 8.8-9.4 H ILE 17 - QG1 VAL 48 far 0 51 0 - 9.2-10.1 H GLN 53 - QG2 VAL 16 far 0 73 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (8.01, 1.03, 21.88 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 17 + QG1 VAL 16 OK 100 100 100 100 3.3-3.8 31=100, 29/2.1=87...(10) H LEU 19 - QG1 VAL 16 far 10 68 15 - 4.1-4.5 H LYS 22 - QG1 VAL 16 far 0 83 0 - 6.9-7.6 H GLN 53 - QG1 VAL 16 far 0 73 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 3369 from cnoeabs.peaks (7.55, 3.69, 64.32 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HA ILE 17 OK 100 100 100 100 3.5-3.6 3.6=100 QE PHE 52 - HA ILE 17 far 0 76 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 3370 from cnoeabs.peaks (7.55, 1.84, 37.27 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HB ILE 17 OK 100 100 100 100 2.3-2.6 34=100, 869/521=64...(12) Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (7.55, 0.81, 17.21 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + QG2 ILE 17 OK 100 100 100 100 3.1-3.5 35=100, 34/2.1=78...(12) QE PHE 52 - QG2 ILE 17 far 0 76 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3372 from cnoeabs.peaks (7.55, 1.08, 28.44 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HG12 ILE 17 OK 100 100 100 100 4.0-4.2 869/523=84, 34/3.0=83...(11) Violated in 0 structures by 0.00 A. Peak 3373 from cnoeabs.peaks (7.55, 1.38, 28.44 ppm; 5.06 A increased from 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HG13 ILE 17 OK 100 100 100 100 4.8-5.0 34/3.0=88, 869/524=87...(11) Violated in 0 structures by 0.00 A. Peak 3375 from cnoeabs.peaks (7.98, 4.19, 58.41 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA GLU 18 OK 100 100 100 100 3.5-3.5 3.6=100 H ILE 17 - HA GLU 18 far 0 68 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 3376 from cnoeabs.peaks (7.98, 2.00, 29.57 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: H LEU 19 + HB3 GLU 18 OK 100 100 100 100 3.2-3.9 4.3=86, 3.6/1248=71...(8) * H LEU 19 + HB2 GLU 18 OK 100 100 100 100 2.6-2.9 4.3=86, 39/528=67...(9) H ILE 17 - HB2 GLU 18 far 0 68 0 - 4.5-5.1 H ILE 17 - HB3 GLU 18 far 0 68 0 - 6.0-6.5 H LYS 60 - HB3 GLN 63 far 0 89 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. Peak 3377 from cnoeabs.peaks (7.98, 2.00, 29.57 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 19 + HB3 GLU 18 OK 100 100 100 100 3.2-3.9 4.3=86, 3.6/1248=71...(8) H LEU 19 + HB2 GLU 18 OK 100 100 100 100 2.6-2.9 4.3=86, 39/528=67...(9) H ILE 17 - HB2 GLU 18 far 0 68 0 - 4.5-5.1 H ILE 17 - HB3 GLU 18 far 0 68 0 - 6.0-6.5 H LYS 60 - HB3 GLN 63 far 0 89 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (7.98, 2.28, 35.25 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 19 + HG2 GLU 18 OK 99 100 100 99 4.5-5.2 39/530=82, 946/4096=59...(6) H ILE 17 - HG2 GLU 18 far 3 68 5 - 4.9-6.4 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (7.98, 2.41, 35.25 ppm; 5.08 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 19 + HG3 GLU 18 OK 100 100 100 100 4.1-4.8 39/531=85, 3.6/1251=81...(7) H LEU 19 + HG3 GLU 20 OK 62 66 95 98 4.2-5.2 45/544=72, 943/4068=57...(5) H ILE 17 + HG3 GLU 18 OK 55 68 85 95 4.2-5.7 4.6/531=69, 4.0/4069=58...(5) H ILE 17 + HG3 GLU 20 OK 38 38 100 100 4.2-4.8 3.0/4068=73, 4.3/4058=69...(9) Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (8.41, 3.64, 58.54 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HA LEU 19 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 38 - HA LEU 19 far 0 65 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (8.41, 0.71, 37.72 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HB2 LEU 19 OK 100 100 100 100 2.4-3.0 4.4=100 H ALA 38 - HB2 LEU 19 far 0 65 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 3384 from cnoeabs.peaks (8.41, 0.53, 23.51 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + QD2 LEU 19 OK 100 100 100 100 4.6-4.9 50=94, 3.6/1281=88...(6) H ALA 38 - QD2 LEU 19 far 3 65 5 - 5.0-5.7 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (8.31, 4.22, 59.07 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HA GLU 20 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (8.31, 2.16, 28.89 ppm; 3.92 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 21 + HB2 GLU 20 OK 100 100 100 100 3.3-3.7 54=100, 55/1.8=84...(7) H ASN 54 + HB2 GLN 53 OK 37 37 100 99 2.3-3.6 267=74, 268/1.8=64...(9) Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (8.31, 2.04, 28.89 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 21 + HB3 GLU 20 OK 100 100 100 100 2.4-2.7 4.1=100 H LEU 43 - HB3 GLU 45 far 0 51 0 - 8.8-9.2 H LEU 43 - HB2 GLU 45 far 0 53 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (8.31, 2.46, 35.40 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HG2 GLU 20 OK 100 100 100 100 4.2-5.0 56=100, 57/1.8=94...(7) Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (8.31, 2.42, 35.40 ppm; 5.81 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 21 + HG3 GLU 20 OK 100 100 100 100 4.4-4.5 57=100, 55/3.0=99...(9) H ARG 21 - HG3 GLU 18 far 0 66 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 3391 from cnoeabs.peaks (8.03, 4.07, 59.55 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 22 + HA ARG 21 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 53 - HA ARG 56 far 0 93 0 - 7.0-7.4 H ILE 17 - HA ARG 21 far 0 83 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (8.03, 1.97, 30.19 ppm; 3.54 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 22 + HB2 ARG 21 OK 100 100 100 100 2.4-2.9 60=100, 873/547=59...(6) H LYS 22 + HB3 ARG 21 OK 35 100 35 99 3.0-3.9 560/1.8=80, 3.6/1350=55...(6) H ILE 17 - HB2 ARG 21 far 0 83 0 - 7.3-8.0 H ILE 17 - HB3 ARG 21 far 0 82 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 3393 from cnoeabs.peaks (8.03, 1.97, 30.19 ppm; 3.54 A): 2 out of 4 assignments used, quality = 1.00: H LYS 22 + HB2 ARG 21 OK 100 100 100 100 2.4-2.9 60=100, 873/548=59...(6) * H LYS 22 + HB3 ARG 21 OK 35 100 35 99 3.0-3.9 560/1.8=80, 3.6/1351=55...(6) H ILE 17 - HB2 ARG 21 far 0 82 0 - 7.3-8.0 H ILE 17 - HB3 ARG 21 far 0 83 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (8.03, 1.86, 27.31 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 22 + HG2 ARG 21 OK 100 100 100 100 4.3-4.9 62=100, 60/1360=94...(7) H ILE 17 - HG2 ARG 21 far 0 83 0 - 6.2-8.3 Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (8.03, 1.60, 27.31 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 22 + HG3 ARG 21 OK 100 100 100 100 4.2-5.0 60/3.0=93, 63=91...(6) H ILE 17 - HG3 ARG 21 far 0 83 0 - 6.2-9.2 Violated in 4 structures by 0.00 A. Peak 3398 from cnoeabs.peaks (8.99, 4.35, 57.92 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HA LYS 22 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 30 - HA LYS 22 far 0 90 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 3399 from cnoeabs.peaks (8.99, 2.06, 30.62 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HB2 LYS 22 OK 100 100 100 100 2.8-3.8 4.3=100 H SER 30 - HB2 LYS 22 far 0 90 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 3400 from cnoeabs.peaks (8.99, 2.38, 30.62 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HB3 LYS 22 OK 100 100 100 100 2.4-3.3 4.3=100 H SER 30 - HB3 LYS 22 far 0 90 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 3408 from cnoeabs.peaks (8.13, 3.15, 39.32 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + HB2 PHE 23 OK 100 100 100 100 3.6-4.0 78=100, 79/1.8=75...(7) H LYS 27 - HB2 PHE 23 far 0 99 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (8.13, 3.08, 39.32 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + HB3 PHE 23 OK 100 100 100 100 2.3-2.8 79=100, 78/1.8=89...(7) H LYS 27 - HB3 PHE 23 far 0 99 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 3412 from cnoeabs.peaks (7.63, 4.08, 61.10 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 25 + HA SER 24 OK 100 100 100 100 3.5-3.5 3.6=100 HE22 GLN 26 - HA SER 24 far 0 97 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 3413 from cnoeabs.peaks (7.63, 3.97, 63.03 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 25 + HB2 SER 24 OK 100 100 100 100 2.7-4.2 4.4=100 H HIS 25 + HB3 SER 24 OK 100 100 100 100 2.6-3.7 4.4=100 HE22 GLN 26 - HB3 SER 24 far 0 97 0 - 7.9-11.3 HE22 GLN 26 - HB2 SER 24 far 0 97 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3414 from cnoeabs.peaks (7.63, 3.97, 63.03 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 25 + HB3 SER 24 OK 100 100 100 100 2.6-3.7 4.4=100 H HIS 25 + HB2 SER 24 OK 100 100 100 100 2.7-4.2 4.4=100 HE22 GLN 26 - HB3 SER 24 far 0 97 0 - 7.9-11.3 HE22 GLN 26 - HB2 SER 24 far 0 97 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (8.51, 4.70, 56.95 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + HA HIS 25 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3416 from cnoeabs.peaks (8.51, 3.37, 31.20 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + HB2 HIS 25 OK 100 100 100 100 2.4-3.5 4.2=100 H LEU 29 - HB2 HIS 25 far 0 100 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 3417 from cnoeabs.peaks (8.51, 3.31, 31.20 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + HB3 HIS 25 OK 100 100 100 100 2.3-3.9 4.2=100 H LEU 29 - HB3 HIS 25 far 0 100 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 3419 from cnoeabs.peaks (8.12, 4.49, 55.44 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HA GLN 26 OK 100 100 100 100 2.2-2.5 92=100, 94/3.0=37...(7) H SER 24 - HA GLN 26 far 0 99 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 3420 from cnoeabs.peaks (8.12, 2.02, 31.80 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: H LYS 27 + HB3 GLN 26 OK 100 100 100 100 3.7-4.1 92/3.0=88, 4.7=83...(7) * H LYS 27 + HB2 GLN 26 OK 100 100 100 100 2.2-2.9 92/3.0=88, 4.7=83...(7) H SER 24 - HB3 GLN 26 far 0 99 0 - 7.5-7.8 H SER 24 - HB2 GLN 26 far 0 99 0 - 8.1-8.3 H LEU 68 - HB3 ARG 56 far 0 49 0 - 8.2-25.0 H LYS 27 - HB3 ARG 56 far 0 72 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (8.12, 2.02, 31.80 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 27 + HB3 GLN 26 OK 100 100 100 100 3.7-4.1 92/3.0=88, 4.7=83...(7) H LYS 27 + HB2 GLN 26 OK 100 100 100 100 2.2-2.9 92/3.0=88, 4.7=83...(7) H SER 24 - HB3 GLN 26 far 0 99 0 - 7.5-7.8 H SER 24 - HB2 GLN 26 far 0 99 0 - 8.1-8.3 H LEU 68 - HB3 ARG 56 far 0 49 0 - 8.2-25.0 H LYS 27 - HB3 ARG 56 far 0 72 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (8.12, 2.29, 34.10 ppm; 4.72 A): 2 out of 4 assignments used, quality = 1.00: H LYS 27 + HG3 GLN 26 OK 100 100 100 100 3.4-3.9 95=100, 92/3.9=81...(7) * H LYS 27 + HG2 GLN 26 OK 100 100 100 100 3.5-4.7 96/1.8=91, 4.9=89...(6) H SER 24 - HG2 GLN 26 far 0 99 0 - 6.3-7.0 H SER 24 - HG3 GLN 26 far 0 99 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (8.12, 2.29, 34.10 ppm; 4.72 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 27 + HG3 GLN 26 OK 100 100 100 100 3.4-3.9 96=100, 92/3.9=81...(7) H LYS 27 + HG2 GLN 26 OK 100 100 100 100 3.5-4.7 96/1.8=91, 4.9=89...(6) H SER 24 - HG2 GLN 26 far 0 99 0 - 6.3-7.0 H SER 24 - HG3 GLN 26 far 0 99 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (7.50, 3.90, 56.76 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 28 + HA LYS 27 OK 100 100 100 100 3.4-3.6 3.6=100 QE PHE 52 + HA LYS 27 OK 50 68 85 86 3.0-4.1 4702=53, 2.2/4200=49...(4) HE21 GLN 63 - HA LYS 27 far 0 60 0 - 9.8-26.2 Violated in 0 structures by 0.00 A. Peak 3425 from cnoeabs.peaks (7.50, 1.42, 32.95 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 28 + HB2 LYS 27 OK 100 100 100 100 3.3-4.1 4.1=100 QE PHE 52 - HB2 LYS 27 far 3 68 5 - 4.9-6.2 HE21 GLN 63 - HB2 LYS 27 far 0 60 0 - 7.8-24.6 HE22 GLN 53 - HB2 LYS 27 far 0 100 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (7.50, 1.56, 32.95 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 28 + HB3 LYS 27 OK 100 100 100 100 2.1-3.2 4.1=100 QE PHE 52 - HB3 LYS 27 far 0 68 0 - 5.5-6.8 HE21 GLN 63 - HB3 LYS 27 far 0 60 0 - 7.5-25.8 HE22 GLN 53 - HB3 LYS 27 far 0 100 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (8.50, 4.72, 56.38 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HA TYR 28 OK 100 100 100 100 2.1-2.3 3.6=100 H GLN 26 - HA TYR 28 far 0 100 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 3434 from cnoeabs.peaks (8.50, 2.95, 41.18 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB2 TYR 28 OK 100 100 100 100 2.8-3.9 111=100, 110/3.0=85, 112/1.8=83 H GLN 26 - HB2 TYR 28 far 0 100 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (8.50, 2.72, 41.18 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB3 TYR 28 OK 100 100 100 100 2.7-4.4 4.7=100 H GLN 26 - HB3 TYR 28 far 0 100 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 3438 from cnoeabs.peaks (8.98, 4.58, 53.06 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.95: * H SER 30 + HA LEU 29 OK 95 100 100 95 2.3-2.6 3.6=68, 117/3.0=37...(7) H PHE 23 - HA LEU 29 far 0 90 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (8.98, 1.24, 44.31 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H SER 30 + HB2 LEU 29 OK 100 100 100 100 2.1-2.6 117=100, 3438/3.0=81...(9) H PHE 23 - HB2 LEU 29 far 0 90 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 3440 from cnoeabs.peaks (8.98, 1.46, 44.31 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H SER 30 + HB3 LEU 29 OK 100 100 100 100 3.6-4.0 4.4=100 H PHE 23 - HB3 LEU 29 far 0 90 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (8.98, 0.46, 23.31 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H SER 30 + QD2 LEU 29 OK 100 100 100 100 2.3-2.9 121=100, 3438/1722=81...(11) H PHE 23 - QD2 LEU 29 far 0 90 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (9.18, 4.55, 56.86 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HA SER 30 OK 100 100 100 100 2.4-2.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3445 from cnoeabs.peaks (9.18, 4.01, 64.90 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HB2 SER 30 OK 100 100 100 100 2.5-3.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 3446 from cnoeabs.peaks (9.18, 4.22, 64.90 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HB3 SER 30 OK 100 100 100 100 2.4-3.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 3447 from cnoeabs.peaks (7.21, 3.91, 50.04 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HD2 PRO 32 OK 100 100 100 100 3.8-3.9 131=100, 3448/1.8=68...(6) Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (7.21, 3.80, 50.04 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HD3 PRO 32 OK 100 100 100 100 2.6-2.7 132=97, 131/1.8=86...(7) Violated in 0 structures by 0.00 A. Peak 3449 from cnoeabs.peaks (7.21, 4.38, 65.82 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HA PRO 32 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (7.21, 1.80, 30.88 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HB2 PRO 32 OK 100 100 100 100 3.2-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3451 from cnoeabs.peaks (7.21, 2.31, 30.88 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.94: H GLU 33 + HB3 GLU 33 OK 94 94 100 100 2.2-2.4 128=100, 618/1.8=74...(15) ! H GLU 33 - HB3 PRO 32 far 0 100 0 - 4.0-4.3 Violated in 0 structures by 0.00 A. Peak 3452 from cnoeabs.peaks (7.21, 1.98, 28.38 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG2 PRO 32 OK 100 100 100 100 3.7-4.1 5.0=100 Violated in 0 structures by 0.00 A. Peak 3453 from cnoeabs.peaks (7.21, 2.10, 28.38 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG3 PRO 32 OK 100 100 100 100 2.2-2.6 130=100, 131/2.3=77...(5) Violated in 0 structures by 0.00 A. Peak 3454 from cnoeabs.peaks (8.73, 4.07, 58.90 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA GLU 33 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3455 from cnoeabs.peaks (8.73, 1.88, 30.88 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HB2 GLU 33 OK 100 100 100 100 2.9-3.5 137/1.8=88, 3.6/1827=67...(12) Violated in 0 structures by 0.00 A. Peak 3456 from cnoeabs.peaks (8.73, 2.32, 30.88 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 34 + HB3 GLU 33 OK 100 100 100 100 2.6-2.8 136=100, 3455/1.8=88...(11) H ARG 34 - HB3 PRO 32 far 0 94 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (8.73, 2.32, 37.36 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HG2 GLU 33 OK 100 100 100 100 4.8-5.1 137/3.0=95, 138/1.8=93...(9) Violated in 0 structures by 0.00 A. Peak 3458 from cnoeabs.peaks (8.73, 2.23, 37.36 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HG3 GLU 33 OK 100 100 100 100 4.4-4.9 138=100, 136/3.0=91...(9) Violated in 0 structures by 0.00 A. Peak 3459 from cnoeabs.peaks (8.15, 3.79, 59.87 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HA ARG 34 OK 100 100 100 100 3.5-3.6 3.6=100 H THR 46 - HA ARG 34 far 0 98 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (8.15, 1.94, 29.95 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HB2 ARG 34 OK 100 100 100 100 2.4-2.8 141=100, 142/1.8=70...(9) H THR 46 - HB2 ARG 34 far 0 98 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 3461 from cnoeabs.peaks (8.15, 1.86, 29.95 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HB3 ARG 34 OK 100 100 100 100 3.8-4.0 142=100, 141/1.8=93...(9) H THR 46 - HB3 ARG 34 far 0 98 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 3462 from cnoeabs.peaks (8.15, 1.34, 28.15 ppm; 5.28 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 35 + HG2 ARG 34 OK 100 100 100 100 3.3-4.0 143=100, 141/3.0=96...(9) H SER 24 - HD3 LYS 27 far 0 34 0 - 5.7-8.0 H THR 46 - HG2 ARG 34 far 0 98 0 - 5.7-6.8 H ARG 61 - HD3 LYS 27 far 0 38 0 - 7.3-14.7 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (7.99, 3.98, 55.19 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + HA ALA 35 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 40 - HA ALA 35 far 0 63 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (7.99, 1.49, 17.89 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + QB ALA 35 OK 100 100 100 100 2.3-2.6 149=100, 147/632=57...(6) H ASN 40 - QB ALA 35 far 0 63 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (8.07, 4.32, 59.41 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 37 + HA HIS 36 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 41 - HA HIS 36 far 0 97 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 3469 from cnoeabs.peaks (8.07, 3.19, 30.63 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: H LEU 37 + HB3 HIS 36 OK 100 100 100 100 3.0-3.2 152=100, 886/635=47...(5) ! H LEU 37 - HB2 HIS 36 far 0 100 0 - 3.6-4.2 H ARG 55 - HB2 HIS 10 far 0 77 0 - 6.8-14.5 H LEU 41 - HB2 HIS 36 far 0 97 0 - 7.9-9.0 H LEU 41 - HB3 HIS 36 far 0 97 0 - 8.4-8.7 H GLN 47 - HB2 HIS 10 far 0 69 0 - 8.9-14.4 Violated in 0 structures by 0.00 A. Peak 3470 from cnoeabs.peaks (8.07, 3.19, 30.63 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 37 + HB3 HIS 36 OK 100 100 100 100 3.0-3.2 153=100, 886/636=47...(5) H LEU 37 - HB2 HIS 36 far 0 100 0 - 3.6-4.2 H ARG 55 - HB2 HIS 10 far 0 80 0 - 6.8-14.5 H LEU 41 - HB2 HIS 36 far 0 97 0 - 7.9-9.0 H LEU 41 - HB3 HIS 36 far 0 97 0 - 8.4-8.7 H GLN 47 - HB2 HIS 10 far 0 72 0 - 8.9-14.4 Violated in 0 structures by 0.00 A. Peak 3472 from cnoeabs.peaks (8.44, 4.06, 57.84 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA LEU 37 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3473 from cnoeabs.peaks (8.44, 1.66, 42.65 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + HB2 LEU 37 OK 100 100 100 100 3.7-3.9 157=95, 158/1.8=88...(10) H GLU 20 - HB2 LEU 37 far 0 65 0 - 9.7-10.4 Violated in 1 structures by 0.00 A. Peak 3474 from cnoeabs.peaks (8.44, 1.73, 42.65 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + HB3 LEU 37 OK 100 100 100 100 2.3-2.6 158=100, 3473/1.8=74...(10) H GLU 20 - HB3 LEU 37 far 0 65 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3475 from cnoeabs.peaks (8.44, 1.56, 26.77 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + HG LEU 37 OK 100 100 100 100 3.2-3.8 159=100, 158/3.0=89...(10) H GLU 20 - HG LEU 37 far 0 65 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3476 from cnoeabs.peaks (8.44, 0.92, 27.31 ppm; 5.61 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + QD2 LEU 37 OK 100 100 100 100 3.9-4.3 160=100, 159/2.1=99...(9) H GLU 20 - QD2 LEU 37 far 0 65 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 3477 from cnoeabs.peaks (8.44, 0.96, 24.23 ppm; 4.54 A increased from 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + QD1 LEU 37 OK 100 100 100 100 4.2-4.5 159/2.1=84, 158/3.1=83...(10) H GLU 20 - QD1 LEU 37 far 0 65 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 3478 from cnoeabs.peaks (7.67, 3.61, 55.88 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HA ALA 38 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 48 - HA ALA 38 far 0 98 0 - 4.9-5.4 HE22 GLN 47 - HA ALA 38 far 0 99 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (7.67, 1.34, 17.52 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + QB ALA 38 OK 100 100 100 100 2.4-2.5 164=100, 888/647=51...(7) H VAL 48 - QB ALA 38 far 0 98 0 - 3.5-3.8 HE22 GLN 47 - QB ALA 38 far 0 99 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 3480 from cnoeabs.peaks (8.02, 4.08, 59.02 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 40 + HA LYS 39 OK 100 100 100 100 3.5-3.5 3.6=100 H HIS 36 + HA GLU 33 OK 30 49 75 82 3.6-3.8 985=40, 4.0/3736=39...(5) H HIS 36 - HA LYS 39 far 0 63 0 - 7.5-7.7 H ASN 40 - HA GLU 33 far 0 88 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 3481 from cnoeabs.peaks (8.02, 1.92, 32.12 ppm; 3.96 A increased from 3.33 A): 2 out of 4 assignments used, quality = 1.00: H ASN 40 + HB3 LYS 39 OK 100 100 100 100 3.9-4.1 4.1=89, 889/650=79...(11) * H ASN 40 + HB2 LYS 39 OK 95 100 95 100 4.0-4.1 4.1=89, 889/3.9=57...(9) H HIS 36 - HB3 LYS 39 far 0 62 0 - 5.6-6.0 H HIS 36 - HB2 LYS 39 far 0 63 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (8.02, 1.92, 32.12 ppm; 3.96 A increased from 3.33 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 40 + HB3 LYS 39 OK 100 100 100 100 3.9-4.1 4.1=89, 889/651=79...(11) H ASN 40 + HB2 LYS 39 OK 95 100 95 100 4.0-4.1 4.1=89, 889/3.9=57...(9) H HIS 36 - HB3 LYS 39 far 0 63 0 - 5.6-6.0 H HIS 36 - HB2 LYS 39 far 0 62 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 3483 from cnoeabs.peaks (8.02, 1.43, 24.82 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 40 + HG2 LYS 39 OK 100 100 100 100 2.4-2.8 169=100, 170/1.8=88...(11) H HIS 36 - HG2 LYS 39 far 3 63 5 - 4.8-6.4 Violated in 0 structures by 0.00 A. Peak 3484 from cnoeabs.peaks (8.02, 1.54, 24.82 ppm; 4.97 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 40 + HG3 LYS 39 OK 100 100 100 100 2.5-3.0 170=100, 169/1.8=92...(11) H HIS 36 + HG3 LYS 39 OK 59 63 95 100 4.4-6.4 3.0/4368=84, ~4788=53...(10) Violated in 0 structures by 0.00 A. Peak 3485 from cnoeabs.peaks (8.02, 1.69, 28.78 ppm; 5.18 A increased from 4.87 A): 4 out of 5 assignments used, quality = 1.00: H ASN 40 + HD3 LYS 39 OK 100 100 100 100 4.6-5.1 169/3.0=82, 170/3.0=80...(10) * H ASN 40 + HD2 LYS 39 OK 100 100 100 100 4.6-5.0 169/3.0=82, 170/3.0=80...(10) H HIS 36 + HD2 LYS 39 OK 46 63 75 98 4.7-6.4 ~4368=49, ~4788=44...(11) H HIS 36 + HD3 LYS 39 OK 28 63 45 97 4.4-6.8 ~4368=49, ~4788=44...(12) H GLN 53 - HG13 ILE 50 far 0 54 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 3486 from cnoeabs.peaks (8.02, 1.69, 28.78 ppm; 5.18 A increased from 4.87 A): 4 out of 5 assignments used, quality = 1.00: * H ASN 40 + HD3 LYS 39 OK 100 100 100 100 4.6-5.1 169/3.0=82, 170/3.0=80...(10) H ASN 40 + HD2 LYS 39 OK 100 100 100 100 4.6-5.0 169/3.0=82, 170/3.0=80...(10) H HIS 36 + HD2 LYS 39 OK 46 63 75 98 4.7-6.4 ~4368=49, ~4788=44...(11) H HIS 36 + HD3 LYS 39 OK 28 63 45 97 4.4-6.8 ~4368=49, ~4788=44...(12) H GLN 53 - HG13 ILE 50 far 0 54 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 3489 from cnoeabs.peaks (8.06, 4.37, 55.84 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 41 + HA ASN 40 OK 100 100 100 100 3.4-3.5 3.6=98, 175/3.0=72...(5) H LEU 37 - HA ASN 40 far 0 97 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (8.06, 2.76, 38.33 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 41 + HB2 ASN 40 OK 100 100 100 100 3.2-3.2 177=90, 175/660=77...(10) H LEU 37 - HB2 ASN 40 far 0 97 0 - 4.9-4.9 H LYS 22 - HB2 ASN 40 far 0 65 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 3491 from cnoeabs.peaks (8.06, 2.70, 38.33 ppm; 3.68 A increased from 3.46 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 41 + HB3 ASN 40 OK 100 100 100 100 3.4-3.6 178=77, 3490/1.8=73...(8) H LEU 37 - HB3 ASN 40 far 0 97 0 - 6.6-6.7 H LYS 22 - HB3 ASN 40 far 0 65 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3492 from cnoeabs.peaks (7.90, 4.34, 54.54 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + HA LEU 41 OK 100 100 100 100 3.0-3.2 3.6=100 H THR 14 - HA LEU 41 far 0 95 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3493 from cnoeabs.peaks (7.90, 1.62, 42.54 ppm; 4.47 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 42 + HB2 LEU 41 OK 100 100 100 100 3.6-3.9 183=100, 181/666=80...(6) H GLY 69 + HB3 LEU 68 OK 75 75 100 100 2.2-4.4 4.3=100 H GLY 69 + HB2 LEU 68 OK 51 57 90 100 2.9-4.6 4.3=100 H GLY 69 - HB3 LEU 64 far 0 95 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 3494 from cnoeabs.peaks (7.90, 1.43, 42.54 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + HB3 LEU 41 OK 100 100 100 100 4.4-4.5 4.6=100 H THR 14 - HB3 LEU 41 far 0 95 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 3496 from cnoeabs.peaks (7.90, 0.75, 22.71 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + QD2 LEU 41 OK 100 100 100 100 4.3-4.5 186=100, 3.6/2098=97...(6) H THR 14 - QD2 LEU 41 far 0 95 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 3498 from cnoeabs.peaks (8.33, 3.98, 57.60 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HA LYS 42 OK 100 100 100 100 2.8-3.0 189=100, 892/672=56...(6) Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (8.33, 1.89, 28.29 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HB2 LYS 42 OK 100 100 100 100 4.3-4.5 4.7=100 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (8.33, 2.15, 28.29 ppm; 4.24 A increased from 3.99 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 43 + HB3 LYS 42 OK 99 100 100 99 4.0-4.2 189/3.0=82, 4.7=76...(5) Violated in 0 structures by 0.00 A. Peak 3501 from cnoeabs.peaks (8.33, 1.35, 24.91 ppm; 5.96 A increased from 5.02 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HG2 LYS 42 OK 100 100 100 100 4.8-6.0 189/3.9=97, 3500/2.9=95 H LEU 43 + HG3 LYS 42 OK 100 100 100 100 4.9-5.9 189/3.9=97, 3500/2.9=95 H LYS 62 - HG2 LYS 58 far 0 62 0 - 7.8-14.5 H SER 65 - HG2 LYS 58 far 0 64 0 - 9.7-21.6 Violated in 0 structures by 0.00 A. Peak 3502 from cnoeabs.peaks (8.33, 1.35, 24.91 ppm; 5.96 A increased from 5.02 A): 2 out of 4 assignments used, quality = 1.00: H LEU 43 + HG2 LYS 42 OK 100 100 100 100 4.8-6.0 189/3.9=97, 3500/2.9=95 * H LEU 43 + HG3 LYS 42 OK 100 100 100 100 4.9-5.9 189/3.9=97, 3500/2.9=95 H LYS 62 - HG2 LYS 58 far 0 62 0 - 7.8-14.5 H SER 65 - HG2 LYS 58 far 0 64 0 - 9.7-21.6 Violated in 0 structures by 0.00 A. Peak 3507 from cnoeabs.peaks (8.84, 4.87, 52.54 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HA LEU 43 OK 100 100 100 100 2.6-2.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3508 from cnoeabs.peaks (8.84, 1.23, 47.68 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HB2 LEU 43 OK 100 100 100 100 3.2-3.4 200=100, 201/1.8=92...(11) Violated in 0 structures by 0.00 A. Peak 3509 from cnoeabs.peaks (8.84, 1.60, 47.68 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HB3 LEU 43 OK 100 100 100 100 2.0-2.1 201=100, 200/1.8=70...(12) Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (8.84, 1.47, 26.44 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HG LEU 43 OK 100 100 100 100 4.6-4.8 202=100, 3511/2.1=93...(8) Violated in 0 structures by 0.00 A. Peak 3511 from cnoeabs.peaks (8.84, 0.85, 24.31 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + QD2 LEU 43 OK 100 100 100 100 3.0-3.5 203=98, 199/2230=69...(11) Violated in 0 structures by 0.00 A. Peak 3512 from cnoeabs.peaks (8.84, 0.66, 27.60 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + QD1 LEU 43 OK 100 100 100 100 4.0-4.3 4.7=100 Violated in 0 structures by 0.00 A. Peak 3513 from cnoeabs.peaks (9.24, 4.65, 60.29 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HA THR 44 OK 100 100 100 100 2.3-2.4 206=100, 207/3.0=49...(6) Violated in 0 structures by 0.00 A. Peak 3514 from cnoeabs.peaks (9.24, 4.78, 70.74 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HB THR 44 OK 100 100 100 100 2.5-2.8 4.4=100 Violated in 0 structures by 0.00 A. Peak 3515 from cnoeabs.peaks (9.24, 1.28, 21.70 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + QG2 THR 44 OK 100 100 100 100 3.7-4.0 4.2=100 Violated in 0 structures by 0.00 A. Peak 3516 from cnoeabs.peaks (8.14, 3.64, 61.08 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H THR 46 + HA GLU 45 OK 100 100 100 100 3.5-3.5 3.6=100 H ALA 35 - HA GLU 45 far 0 98 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (8.14, 2.04, 29.23 ppm; 4.67 A): 2 out of 5 assignments used, quality = 1.00: * H THR 46 + HB2 GLU 45 OK 100 100 100 100 3.4-3.8 4.6=100 H THR 46 + HB3 GLU 45 OK 100 100 100 100 2.8-3.1 4.6=100 H SER 24 - HB3 GLU 20 far 0 56 0 - 5.5-6.0 H ALA 35 - HB2 GLU 45 far 0 98 0 - 5.7-6.8 H ALA 35 - HB3 GLU 45 far 0 98 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 3518 from cnoeabs.peaks (8.14, 2.05, 29.23 ppm; 4.67 A): 2 out of 5 assignments used, quality = 1.00: * H THR 46 + HB3 GLU 45 OK 100 100 100 100 2.8-3.1 4.6=100 H THR 46 + HB2 GLU 45 OK 100 100 100 100 3.4-3.8 4.6=100 H SER 24 - HB3 GLU 20 far 0 54 0 - 5.5-6.0 H ALA 35 - HB2 GLU 45 far 0 98 0 - 5.7-6.8 H ALA 35 - HB3 GLU 45 far 0 98 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (8.14, 2.40, 37.98 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: * H THR 46 + HG2 GLU 45 OK 100 100 100 100 4.6-4.9 213=100, 209/696=81...(6) H ALA 35 + HG2 GLU 45 OK 64 98 65 100 4.3-5.4 4351/1.8=89, 3.0/4356=87...(9) Violated in 0 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (8.14, 2.07, 37.98 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.98: H ALA 35 + HG3 GLU 45 OK 98 98 100 100 3.5-4.5 4351=97, 3.0/4355=92...(11) ! H THR 46 - HG3 GLU 45 far 0 100 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (8.05, 3.90, 66.50 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + HA THR 46 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 53 - HA THR 46 far 0 87 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 3522 from cnoeabs.peaks (8.05, 4.06, 68.82 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + HB THR 46 OK 100 100 100 100 2.4-2.8 217=100, 218/2.1=70...(4) Violated in 0 structures by 0.00 A. Peak 3523 from cnoeabs.peaks (8.05, 1.25, 21.98 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 47 + QG2 THR 46 OK 100 100 100 100 3.3-3.6 4.3=100 H GLN 53 - QG2 THR 46 far 0 87 0 - 7.6-8.5 H ARG 55 - QG2 THR 46 far 0 76 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 3524 from cnoeabs.peaks (7.68, 3.96, 59.66 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 48 + HA GLN 47 OK 100 100 100 100 3.5-3.6 3.6=100 HE22 GLN 47 + HA GLN 47 OK 68 90 75 100 3.4-5.8 3.4/2325=69, 3.4/2326=69...(12) Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (7.68, 2.58, 29.96 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 48 + HB2 GLN 47 OK 100 100 100 100 2.1-2.6 221=100, 222/1.8=79...(6) HE22 GLN 47 + HB2 GLN 47 OK 90 90 100 100 3.4-4.2 445=85, 3.4/2347=79...(12) H LYS 39 - HB2 GLN 47 far 0 98 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (7.68, 1.83, 29.96 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 48 + HB3 GLN 47 OK 100 100 100 100 3.0-3.5 222=90, 221/1.8=79...(7) HE22 GLN 47 + HB3 GLN 47 OK 90 90 100 100 2.0-3.9 4.6=71, 445/1.8=63...(12) H LYS 39 - HB3 GLN 47 far 0 98 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (7.68, 2.55, 35.63 ppm; 4.23 A increased from 3.99 A): 2 out of 3 assignments used, quality = 0.93: HE22 GLN 47 + HG2 GLN 47 OK 90 90 100 100 3.5-4.1 3.4=100 * H VAL 48 + HG2 GLN 47 OK 30 100 30 100 4.2-4.6 897/706=77, 223=70...(7) H LYS 39 - HG2 GLN 47 far 0 98 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (7.68, 2.40, 35.63 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.90: HE22 GLN 47 + HG3 GLN 47 OK 90 90 100 100 2.4-3.6 3.4=100 ! H VAL 48 - HG3 GLN 47 far 0 100 0 - 4.1-5.0 H LYS 39 - HG3 GLN 47 far 0 98 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3529 from cnoeabs.peaks (8.54, 3.63, 67.46 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA VAL 48 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (8.54, 2.16, 32.06 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB VAL 48 OK 100 100 100 100 2.4-2.8 229=100, 230/2.1=63...(12) Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (8.54, 1.00, 23.57 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 49 + QG1 VAL 48 OK 100 100 100 100 3.3-3.6 4.1=100 H LYS 49 - QG2 VAL 16 far 0 51 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 3532 from cnoeabs.peaks (8.54, 0.95, 23.79 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + QG2 VAL 48 OK 100 100 100 100 3.7-3.9 4.1=100 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (8.69, 4.33, 59.98 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA LYS 49 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (8.69, 2.13, 33.10 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HB2 LYS 49 OK 100 100 100 100 2.2-2.8 234=100, 235/1.8=73...(12) Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (8.69, 1.88, 33.10 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HB3 LYS 49 OK 100 100 100 100 3.6-4.0 235=100, 234/1.8=91...(7) Violated in 0 structures by 0.00 A. Peak 3537 from cnoeabs.peaks (8.69, 1.40, 24.91 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HG3 LYS 49 OK 100 100 100 100 3.9-4.8 5.0=100 Violated in 0 structures by 0.00 A. Peak 3538 from cnoeabs.peaks (8.69, 1.70, 29.39 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.78: H ILE 50 + HG13 ILE 50 OK 71 71 100 100 2.0-3.5 238=100, 729/1.8=97...(15) H ILE 50 + HD3 LYS 49 OK 25 100 25 99 3.1-5.7 234/3.7=76, 235/3.7=70...(6) ! H ILE 50 - HD2 LYS 49 poor 20 100 20 99 3.8-6.3 234/3.7=76, 235/3.7=70...(5) Violated in 0 structures by 0.00 A. Peak 3539 from cnoeabs.peaks (8.69, 1.70, 29.39 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.80: H ILE 50 + HG13 ILE 50 OK 73 73 100 100 2.0-3.5 239=100, 729/1.8=97...(15) * H ILE 50 + HD3 LYS 49 OK 25 100 25 99 3.1-5.7 234/3.7=76, 235/3.7=70...(6) H ILE 50 - HD2 LYS 49 poor 20 100 20 - 3.8-6.3 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (8.27, 3.77, 64.05 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA ILE 50 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 54 + HA ILE 50 OK 59 60 100 99 3.5-4.3 1041/3803=58...(10) Violated in 0 structures by 0.00 A. Peak 3543 from cnoeabs.peaks (8.27, 1.94, 37.64 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HB ILE 50 OK 100 100 100 100 2.3-2.9 244=100, 245/2.1=70...(13) H ASN 54 - HB ILE 50 far 0 60 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 3544 from cnoeabs.peaks (8.27, 0.91, 17.21 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 51 + QG2 ILE 50 OK 100 100 100 100 3.3-3.7 245=100, 244/2.1=89...(12) H ASN 54 + QG2 ILE 50 OK 58 60 100 97 3.2-3.7 5.1/4661=43, 5.1/4660=41...(9) Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (8.27, 1.29, 29.13 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HG12 ILE 50 OK 100 100 100 100 3.9-5.2 244/3.0=95, 247/1.8=91...(11) H ASN 54 - HG12 ILE 50 far 0 60 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (8.27, 1.69, 29.13 ppm; 5.02 A): 1 out of 6 assignments used, quality = 1.00: * H TRP 51 + HG13 ILE 50 OK 100 100 100 100 4.2-4.7 247=100, 244/3.0=93...(11) H TRP 51 - HD2 LYS 49 far 0 71 0 - 5.3-8.2 H TRP 51 - HD3 LYS 49 far 0 73 0 - 5.4-7.9 H ASN 54 - HD3 LYS 49 far 0 37 0 - 5.8-10.0 H ASN 54 - HD2 LYS 49 far 0 35 0 - 6.0-10.0 H ASN 54 - HG13 ILE 50 far 0 60 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 3547 from cnoeabs.peaks (8.27, 0.80, 12.55 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + QD1 ILE 50 OK 100 100 100 100 4.2-4.6 248=100, 244/3.2=92...(11) H ASN 54 - QD1 ILE 50 far 6 60 10 - 5.1-6.6 Violated in 0 structures by 0.00 A. Peak 3548 from cnoeabs.peaks (8.94, 4.02, 63.12 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA TRP 51 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3549 from cnoeabs.peaks (8.94, 3.50, 29.17 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB2 TRP 51 OK 100 100 100 100 2.1-2.2 4.3=100 Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (8.94, 3.29, 29.17 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB3 TRP 51 OK 100 100 100 100 3.5-3.6 4.3=100 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (8.03, 3.76, 63.31 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HA PHE 52 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 22 - HA PHE 52 far 0 100 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 3557 from cnoeabs.peaks (8.03, 3.27, 39.64 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 53 + HB2 PHE 52 OK 100 100 100 100 2.6-3.8 4.5=100 H GLN 47 - HB2 PHE 52 far 0 87 0 - 9.2-11.6 H LYS 22 - HB2 PHE 52 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3558 from cnoeabs.peaks (8.03, 3.53, 39.64 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 53 + HB3 PHE 52 OK 99 100 100 99 2.5-3.7 4.5=99 H GLN 47 - HB3 PHE 52 far 0 87 0 - 9.3-11.3 H LYS 22 - HB3 PHE 52 far 0 100 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (8.29, 3.94, 59.15 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 54 + HA GLN 53 OK 100 100 100 100 3.6-3.6 3.6=100 H TRP 51 - HA GLN 53 far 0 60 0 - 6.6-7.0 H SER 66 - HA GLN 53 far 0 93 0 - 8.1-22.8 H LYS 62 - HA GLN 53 far 0 99 0 - 9.7-16.1 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (8.29, 2.15, 28.54 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 54 + HB2 GLN 53 OK 100 100 100 100 2.3-3.6 267=100, 268/1.8=74...(9) H ARG 21 + HB2 GLU 20 OK 37 37 100 99 3.3-3.7 4.1=81, 55/1.8=67...(7) H TRP 51 - HB2 GLN 53 far 0 60 0 - 4.7-6.9 H SER 66 - HB2 GLN 53 far 0 93 0 - 7.8-24.1 Violated in 0 structures by 0.00 A. Peak 3563 from cnoeabs.peaks (8.29, 2.22, 28.54 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 54 + HB3 GLN 53 OK 100 100 100 100 2.1-3.9 268=100, 267/1.8=91...(8) H TRP 51 - HB3 GLN 53 far 0 60 0 - 4.9-6.0 H SER 66 - HB3 GLN 53 far 0 93 0 - 9.4-25.5 Violated in 0 structures by 0.00 A. Peak 3564 from cnoeabs.peaks (8.29, 2.44, 33.72 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + HG2 GLN 53 OK 100 100 100 100 2.7-4.1 269=100, 267/3.0=88...(7) H TRP 51 - HG2 GLN 53 far 9 60 15 - 4.8-7.0 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (8.29, 2.37, 33.72 ppm; 6.00 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 54 + HG3 GLN 53 OK 100 100 100 100 3.6-4.6 270=100, 269/1.8=100...(7) H LYS 62 - HG3 GLN 63 poor 14 93 40 38 3.8-8.3 4.6/831=36 H LYS 62 - HG2 GLN 63 poor 14 89 40 38 3.4-8.0 4.6/831=36 H TRP 51 - HG3 GLN 53 far 9 60 15 - 5.4-7.6 H SER 66 - HG2 GLN 63 far 8 82 10 - 3.7-11.2 H SER 66 - HG3 GLN 63 lone 1 86 25 3 2.2-11.0 H SER 66 - HG3 GLN 53 far 0 93 0 - 9.2-24.5 H ASN 54 - HG2 GLN 63 far 0 92 0 - 9.8-21.3 Violated in 0 structures by 0.00 A. Peak 3566 from cnoeabs.peaks (8.07, 4.36, 55.11 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 55 + HA ASN 54 OK 100 100 100 100 3.6-3.6 3.6=100 H ARG 55 - HA LEU 68 far 0 88 0 - 10.0-30.4 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (8.07, 2.48, 37.68 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB2 ASN 54 OK 100 100 100 100 3.1-3.5 275=100, 276/1.8=89...(4) Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (8.07, 2.65, 37.68 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB3 ASN 54 OK 100 100 100 100 2.3-2.6 276=100, 275/1.8=77...(4) Violated in 0 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (7.75, 3.43, 56.09 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 56 + HA ARG 55 OK 100 100 100 100 3.5-3.6 3.6=100 H THR 59 + HA ARG 55 OK 72 78 100 92 3.9-5.2 4.6/3841=58, 908/1066=58...(4) QD PHE 52 - HA ARG 55 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (7.75, 0.65, 28.41 ppm; 5.32 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 56 + HB2 ARG 55 OK 100 100 100 100 2.6-3.5 4.7=100 QD PHE 52 + HB2 ARG 55 OK 24 100 25 98 5.0-6.0 3.7/3818=79...(4) H THR 59 - HB2 ARG 55 poor 11 78 45 32 5.0-6.6 3569/3.0=30 Violated in 0 structures by 0.00 A. Peak 3576 from cnoeabs.peaks (7.56, 4.08, 59.51 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 57 + HA ARG 56 OK 100 100 100 100 3.4-3.5 3.6=100 H GLU 18 - HA ARG 21 far 0 86 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 3577 from cnoeabs.peaks (7.56, 1.72, 31.63 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB2 ARG 56 OK 100 100 100 100 3.2-3.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (7.56, 2.04, 31.63 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB3 ARG 56 OK 100 100 100 100 2.7-3.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (7.68, 4.44, 59.02 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HA TYR 57 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3584 from cnoeabs.peaks (7.68, 3.09, 37.92 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB2 TYR 57 OK 100 100 100 100 2.7-3.1 4.7=100 Violated in 0 structures by 0.00 A. Peak 3585 from cnoeabs.peaks (7.68, 3.17, 37.92 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB3 TYR 57 OK 100 100 100 100 4.0-4.2 4.7=100 Violated in 0 structures by 0.00 A. Peak 3588 from cnoeabs.peaks (7.72, 4.11, 57.48 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H THR 59 + HA LYS 58 OK 100 100 100 100 3.3-3.4 3.6=100 H ARG 56 - HA LYS 58 far 0 78 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (7.72, 1.80, 32.42 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * H THR 59 + HB2 LYS 58 OK 100 100 100 100 3.9-4.3 4.6=100 H ARG 56 - HB2 LYS 58 far 0 78 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 3590 from cnoeabs.peaks (7.72, 1.73, 32.42 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + HB3 LYS 58 OK 100 100 100 100 3.1-4.3 4.6=100 H ARG 56 - HB3 LYS 58 far 0 78 0 - 5.0-6.4 QD PHE 52 - HB3 LYS 58 far 0 78 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (7.72, 1.36, 24.85 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + HG2 LYS 58 OK 100 100 100 100 2.7-5.4 305=98, 304/2.8=89...(6) H ARG 56 - HG2 LYS 58 poor 20 78 25 - 5.2-8.0 QD PHE 52 - HG2 LYS 58 far 0 78 0 - 9.7-12.5 Violated in 1 structures by 0.00 A. Peak 3592 from cnoeabs.peaks (7.72, 1.45, 24.85 ppm; 5.28 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + HG3 LYS 58 OK 100 100 100 100 3.1-4.7 908/789=88, 304/2.8=88...(5) H ARG 56 - HG3 LYS 58 poor 20 78 25 - 4.2-6.7 QD PHE 52 - HG3 LYS 58 far 0 78 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (7.98, 4.26, 62.83 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HA THR 59 OK 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3598 from cnoeabs.peaks (7.98, 4.28, 69.66 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HB THR 59 OK 100 100 100 100 2.1-4.5 4.7=100 Violated in 0 structures by 0.00 A. Peak 3600 from cnoeabs.peaks (8.17, 4.26, 56.50 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 61 + HA LYS 60 OK 100 100 100 100 2.3-3.6 3.6=100 H ARG 61 - HA LYS 62 far 0 98 0 - 4.6-6.4 H LEU 68 - HA LYS 60 far 0 57 0 - 5.2-20.5 H LEU 68 - HA LYS 62 far 0 53 0 - 7.4-16.3 Violated in 0 structures by 0.00 A. Peak 3601 from cnoeabs.peaks (8.17, 1.83, 32.76 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 61 + HB2 LYS 60 OK 100 100 100 100 2.3-4.4 4.4=100 H ARG 61 - HB2 LYS 62 poor 19 96 20 - 4.2-7.7 H LEU 68 - HB2 LYS 60 far 3 57 5 - 2.6-22.1 H LEU 68 - HB2 LYS 62 far 0 52 0 - 6.4-17.0 Violated in 0 structures by 0.00 A. Peak 3602 from cnoeabs.peaks (8.17, 1.78, 32.76 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 61 + HB3 LYS 60 OK 100 100 100 100 2.7-4.1 4.4=100 H ARG 61 - HB3 LYS 62 poor 20 99 20 - 4.5-7.6 H LEU 68 - HB3 LYS 60 far 3 57 5 - 3.5-22.0 H LEU 68 - HB3 LYS 62 far 0 55 0 - 5.8-17.4 Violated in 0 structures by 0.00 A. Peak 3609 from cnoeabs.peaks (8.30, 4.24, 56.37 ppm; 3.49 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 62 + HA ARG 61 OK 98 100 100 98 2.2-3.6 3.6=94, 328/3.0=47...(5) H LYS 62 + HA LYS 62 OK 62 62 100 100 2.3-2.9 2.9=100 H SER 66 - HA ARG 61 far 0 81 0 - 5.7-13.6 H SER 66 - HA LYS 62 far 0 43 0 - 5.8-9.9 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (8.30, 1.60, 27.31 ppm; 4.66 A): 3 out of 5 assignments used, quality = 0.98: H ARG 21 + HG3 ARG 21 OK 91 91 100 100 2.2-4.1 4.7=97, 549/1.8=92...(13) * H LYS 62 + HG2 ARG 61 OK 59 100 60 99 2.0-5.4 5.0=82, 328/2.9=79...(5) H LYS 62 + HG3 ARG 61 OK 54 100 55 99 3.0-5.9 5.0=82, 328/2.9=79...(5) H SER 66 - HG2 ARG 61 far 0 81 0 - 5.4-15.3 H SER 66 - HG3 ARG 61 far 0 80 0 - 6.3-15.6 Violated in 0 structures by 0.00 A. Peak 3613 from cnoeabs.peaks (8.30, 1.59, 27.31 ppm; 4.66 A): 3 out of 5 assignments used, quality = 0.98: H ARG 21 + HG3 ARG 21 OK 89 89 100 100 2.2-4.1 4.7=97, 549/1.8=92...(13) H LYS 62 + HG2 ARG 61 OK 59 100 60 99 2.0-5.4 5.0=82, 328/2.9=79...(5) * H LYS 62 + HG3 ARG 61 OK 54 100 55 99 3.0-5.9 5.0=82, 328/2.9=79...(5) H SER 66 - HG2 ARG 61 far 0 80 0 - 5.4-15.3 H SER 66 - HG3 ARG 61 far 0 81 0 - 6.3-15.6 Violated in 0 structures by 0.00 A. Peak 3616 from cnoeabs.peaks (8.38, 4.26, 56.57 ppm; 3.91 A): 1 out of 12 assignments used, quality = 1.00: * H GLN 63 + HA LYS 62 OK 100 100 100 100 2.1-3.3 3.6=100 H GLN 63 - HA ARG 61 poor 15 62 25 - 3.2-6.7 H LEU 64 - HA LYS 62 far 15 98 15 - 3.7-6.9 H SER 65 - HA LYS 62 far 8 81 10 - 2.9-8.2 H LEU 64 - HA ARG 61 far 0 58 0 - 4.2-10.3 H SER 65 - HA LYS 60 far 0 76 0 - 4.3-14.1 H SER 65 - HA ARG 61 far 0 43 0 - 5.4-11.3 H GLN 63 - HA LYS 60 far 0 98 0 - 5.8-9.1 H GLU 67 - HA LYS 60 far 0 69 0 - 6.0-19.6 H GLU 67 - HA ARG 61 far 0 38 0 - 6.4-17.8 H GLU 67 - HA LYS 62 far 0 73 0 - 6.6-14.0 H LEU 64 - HA LYS 60 far 0 95 0 - 6.6-13.0 Violated in 0 structures by 0.00 A. Peak 3617 from cnoeabs.peaks (8.38, 1.83, 32.70 ppm; 5.31 A): 1 out of 8 assignments used, quality = 1.00: * H GLN 63 + HB2 LYS 62 OK 100 100 100 100 2.1-4.3 4.3=100 H LEU 64 - HB2 LYS 62 poor 20 98 20 - 3.2-8.1 H SER 65 - HB2 LYS 62 poor 16 81 20 - 2.6-9.1 H GLN 63 - HB2 LYS 60 far 0 96 0 - 5.9-10.1 H SER 65 - HB2 LYS 60 far 0 74 0 - 6.1-15.1 H GLU 67 - HB2 LYS 60 far 0 67 0 - 6.1-19.9 H GLU 67 - HB2 LYS 62 far 0 73 0 - 6.6-16.0 H LEU 64 - HB2 LYS 60 far 0 93 0 - 7.9-13.5 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (8.38, 1.77, 32.70 ppm; 5.55 A): 1 out of 8 assignments used, quality = 1.00: * H GLN 63 + HB3 LYS 62 OK 100 100 100 100 3.0-4.4 4.3=100 H LEU 64 - HB3 LYS 62 far 15 98 15 - 4.4-8.0 H GLU 67 - HB3 LYS 62 far 4 73 5 - 5.6-15.2 H SER 65 - HB3 LYS 62 lone 1 81 30 3 3.0-10.0 H GLU 67 - HB3 LYS 60 far 0 71 0 - 5.8-20.0 H GLN 63 - HB3 LYS 60 far 0 99 0 - 6.1-11.1 H SER 65 - HB3 LYS 60 far 0 79 0 - 6.4-16.1 H LEU 64 - HB3 LYS 60 far 0 97 0 - 7.3-14.8 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (8.38, 4.31, 55.97 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.99: H GLN 63 + HA GLN 63 OK 98 98 100 100 2.8-2.9 3.0=100 * H LEU 64 + HA GLN 63 OK 68 100 75 91 2.2-3.6 3.6=84, 3627/3.0=19...(6) H GLU 67 - HA GLN 63 far 0 92 0 - 6.5-11.7 Violated in 0 structures by 0.00 A. Peak 3626 from cnoeabs.peaks (8.38, 2.08, 29.35 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB2 GLN 63 OK 99 100 100 99 2.0-4.2 4.6=90, 836/4693=59...(8) H GLN 63 + HB2 GLN 63 OK 98 98 100 100 2.5-4.0 3.9=100 H GLU 67 - HB2 GLN 63 far 0 92 0 - 6.7-12.2 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (8.38, 2.00, 29.35 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: H GLN 63 + HB3 GLN 63 OK 98 98 100 100 2.2-3.7 3.9=100 * H LEU 64 + HB3 GLN 63 OK 85 100 90 94 2.6-4.2 4.6=71, 4.6/829=45...(6) H GLU 20 - HB2 GLU 18 far 0 57 0 - 5.0-5.3 H GLU 20 - HB3 GLU 18 far 0 57 0 - 5.3-5.8 H GLU 67 - HB3 GLN 63 far 0 92 0 - 6.4-12.6 Violated in 0 structures by 0.00 A. Peak 3628 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 6 assignments used, quality = 0.99: H GLN 63 + HG2 GLN 63 OK 88 98 95 95 2.2-4.6 829/3.0=75, 5.1=66...(4) H GLN 63 + HG3 GLN 63 OK 79 98 85 95 2.1-4.7 829/3.0=75, 5.1=66...(4) * H LEU 64 + HG2 GLN 63 OK 45 100 60 75 2.7-5.3 3627/3.0=32, 3626/3.0=32...(4) H LEU 64 + HG3 GLN 63 OK 45 100 60 75 3.0-5.2 3627/3.0=32, 3626/3.0=32...(4) H GLU 67 - HG3 GLN 63 far 0 91 0 - 4.7-12.9 H GLU 67 - HG2 GLN 63 far 0 92 0 - 5.8-12.8 Violated in 0 structures by 0.00 A. Peak 3629 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 6 assignments used, quality = 0.99: H GLN 63 + HG2 GLN 63 OK 88 98 95 95 2.2-4.6 829/3.0=75, 5.1=66...(4) H GLN 63 + HG3 GLN 63 OK 79 98 85 95 2.1-4.7 829/3.0=75, 5.1=66...(4) * H LEU 64 + HG3 GLN 63 OK 45 100 60 75 3.0-5.2 3627/3.0=32, 3626/3.0=32...(4) H LEU 64 + HG2 GLN 63 OK 45 100 60 75 2.7-5.3 3627/3.0=32, 3626/3.0=32...(4) H GLU 67 - HG3 GLN 63 far 0 92 0 - 4.7-12.9 H GLU 67 - HG2 GLN 63 far 0 91 0 - 5.8-12.8 Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (8.35, 4.37, 55.19 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * H SER 65 + HA LEU 64 OK 100 100 100 100 2.3-3.6 3.6=100 H GLN 63 - HA LEU 64 far 0 81 0 - 4.7-6.5 H SER 65 - HA LEU 68 far 0 72 0 - 7.1-11.7 H GLN 63 - HA LEU 68 far 0 51 0 - 8.5-16.4 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (8.35, 1.62, 42.38 ppm; 4.62 A): 2 out of 7 assignments used, quality = 1.00: * H SER 65 + HB3 LEU 64 OK 100 100 100 100 2.2-4.3 4.4=100 H LEU 43 + HB2 LEU 41 OK 61 62 100 99 3.1-3.6 4434/666=58, 4.4/183=53...(10) H GLN 63 - HB3 LEU 64 far 12 81 15 - 4.0-7.1 H SER 65 - HB2 LEU 68 far 0 61 0 - 7.3-12.5 H SER 65 - HB3 LEU 68 far 0 80 0 - 7.5-13.3 H GLN 63 - HB2 LEU 68 far 0 42 0 - 8.4-16.3 H GLN 63 - HB3 LEU 68 far 0 58 0 - 9.2-16.4 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (8.35, 0.91, 25.32 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.83: * H SER 65 + QD1 LEU 64 OK 83 100 85 98 3.1-5.3 3635/2.1=83, 351/4.7=71...(4) H GLN 63 - QD1 LEU 64 far 0 81 0 - 5.5-7.8 Violated in 3 structures by 0.02 A. Peak 3635 from cnoeabs.peaks (8.35, 0.85, 23.25 ppm; 4.85 A): 1 out of 6 assignments used, quality = 0.95: * H SER 65 + QD2 LEU 64 OK 95 100 100 95 2.7-4.8 3634/2.1=69, 351/4.7=64...(4) H GLN 63 - QD2 LEU 64 far 0 81 0 - 5.2-8.0 H GLN 63 - QD1 LEU 68 far 0 60 0 - 5.4-15.7 H GLN 63 - QD2 LEU 68 far 0 66 0 - 5.8-15.6 H SER 65 - QD1 LEU 68 far 0 83 0 - 6.4-11.8 H SER 65 - QD2 LEU 68 far 0 89 0 - 7.8-12.3 Violated in 0 structures by 0.00 A. Peak 3636 from cnoeabs.peaks (8.28, 4.43, 58.54 ppm; 4.30 A): 2 out of 5 assignments used, quality = 1.00: * H SER 66 + HA SER 65 OK 100 100 100 100 2.1-3.6 3.6=100 H SER 66 + HA SER 66 OK 61 61 100 100 2.3-2.9 3.0=100 H LYS 62 - HA SER 65 far 4 81 5 - 4.1-11.5 H LYS 62 - HA SER 66 far 0 43 0 - 4.5-14.3 H ASN 54 - HA SER 65 far 0 93 0 - 10.0-24.1 Violated in 0 structures by 0.00 A. Peak 3639 from cnoeabs.peaks (8.40, 4.45, 58.33 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 67 + HA SER 66 OK 100 100 100 100 2.1-3.5 3.6=100 H GLU 67 - HA SER 65 poor 12 61 20 - 3.9-6.5 H GLN 63 - HA SER 66 far 0 73 0 - 4.4-11.3 H LEU 64 - HA SER 65 far 0 51 0 - 4.7-5.5 H GLN 63 - HA SER 65 far 0 38 0 - 5.4-7.7 H LEU 64 - HA SER 66 far 0 92 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (8.40, 3.94, 63.84 ppm; 5.42 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 67 + HB2 SER 66 OK 100 100 100 100 3.2-4.6 4.4=100 H LEU 64 + HB2 SER 65 OK 25 70 45 80 4.2-6.4 351/3.9=80 H GLN 63 - HB2 SER 65 poor 13 53 25 - 4.7-8.3 H GLN 63 - HB2 SER 66 far 11 73 15 - 2.1-13.1 H GLU 67 - HB2 SER 65 lone 5 82 35 18 3.1-7.9 4.7/266=12, 364=4, 365/1.8=1 H LEU 64 - HB2 SER 66 far 5 92 5 - 4.9-10.2 Violated in 0 structures by 0.00 A. Peak 3642 from cnoeabs.peaks (8.14, 4.31, 56.58 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 68 + HA GLU 67 OK 100 100 100 100 2.1-3.4 3.6=100 H ARG 61 - HA GLU 67 far 0 57 0 - 6.6-18.0 Violated in 0 structures by 0.00 A. Peak 3643 from cnoeabs.peaks (8.14, 2.09, 29.91 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 68 + HB2 GLU 67 OK 100 100 100 100 3.2-4.6 4.7=100 H ARG 61 - HB2 GLU 67 far 0 57 0 - 8.0-19.4 Violated in 0 structures by 0.00 A. Peak 3644 from cnoeabs.peaks (8.14, 1.96, 29.91 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.95: * H LEU 68 + HB3 GLU 67 OK 95 100 95 100 3.3-4.6 4.7=91, 367/3.0=80...(4) H SER 24 - HB3 ARG 21 far 0 57 0 - 5.2-6.1 H SER 24 - HB2 ARG 21 far 0 62 0 - 5.5-6.1 H ARG 61 - HB3 GLU 67 far 0 57 0 - 8.1-19.9 Violated in 3 structures by 0.01 A. Peak 3647 from cnoeabs.peaks (7.90, 4.36, 54.95 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 69 + HA LEU 68 OK 100 100 100 100 2.1-3.6 3.6=100 H GLY 69 - HA ASN 54 far 0 88 0 - 8.1-29.5 H GLY 69 - HA LEU 64 far 0 72 0 - 9.3-14.9 Violated in 0 structures by 0.00 A. Peak 3648 from cnoeabs.peaks (7.90, 1.64, 42.41 ppm; 5.21 A): 3 out of 4 assignments used, quality = 1.00: * H GLY 69 + HB2 LEU 68 OK 100 100 100 100 2.9-4.6 4.3=100 H GLY 69 + HB3 LEU 68 OK 99 99 100 100 2.2-4.4 4.3=100 H LYS 42 + HB2 LEU 41 OK 57 57 100 100 3.6-3.9 4.6=100 H GLY 69 - HB3 LEU 64 far 0 61 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 3649 from cnoeabs.peaks (7.90, 1.63, 42.41 ppm; 4.68 A): 3 out of 4 assignments used, quality = 1.00: * H GLY 69 + HB3 LEU 68 OK 100 100 100 100 2.2-4.4 4.3=100 H GLY 69 + HB2 LEU 68 OK 99 99 100 100 2.9-4.6 4.3=100 H LYS 42 + HB2 LEU 41 OK 75 75 100 100 3.6-3.9 4.6=100 H GLY 69 - HB3 LEU 64 far 0 80 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 3651 from cnoeabs.peaks (7.90, 0.86, 23.20 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.60: * H GLY 69 + QD1 LEU 68 OK 39 100 85 46 2.2-5.5 3.6/3326=35, 375/2.1=16 H GLY 69 + QD2 LEU 68 OK 35 99 90 39 2.2-5.7 3.6/3302=26, 375/2.1=16 H GLY 69 - QD2 LEU 64 far 0 83 0 - 5.5-14.3 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (1.63, 4.59, 56.52 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.97: * HB3 GLN 15 + HA SER 12 OK 97 100 100 97 4.0-4.6 4014/2.9=65, ~4013=46...(7) HD3 LYS 42 - HA SER 12 far 0 65 0 - 9.6-14.5 HB2 LEU 41 - HA SER 12 far 0 90 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3661 from cnoeabs.peaks (7.83, 4.38, 59.74 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HA HIS 13 OK 100 100 100 100 3.6-4.3 930=79, 517/4744=75...(7) Violated in 0 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (2.07, 4.38, 59.74 ppm; 3.72 A increased from 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 16 + HA HIS 13 OK 100 100 100 100 3.4-3.5 3663=92, 2.1/4744=72...(6) Violated in 0 structures by 0.00 A. Peak 3663 from cnoeabs.peaks (4.38, 2.07, 31.49 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 13 + HB VAL 16 OK 100 100 100 100 3.4-3.5 3662=100, 4744/2.1=75...(6) HB2 SER 12 - HB VAL 16 far 0 100 0 - 5.6-7.4 Violated in 0 structures by 0.00 A. Peak 3664 from cnoeabs.peaks (8.01, 4.38, 59.74 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + HA HIS 13 OK 100 100 100 100 4.6-5.1 29/3662=90, 868/3661=80...(5) H LEU 19 - HA HIS 13 far 0 68 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 3666 from cnoeabs.peaks (8.01, 3.81, 65.62 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + HA THR 14 OK 100 100 100 100 3.2-3.6 935=100, 521/3668=74...(9) H LEU 19 - HA THR 14 far 0 68 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (1.84, 3.81, 65.62 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 17 + HA THR 14 OK 100 100 100 100 2.9-3.5 3668=100, 521/935=53...(13) HG2 ARG 21 - HA THR 14 far 0 81 0 - 7.9-9.8 HB3 MET 11 - HA THR 14 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (3.81, 1.84, 37.27 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 14 + HB ILE 17 OK 100 100 100 100 2.9-3.5 3667=96, 935/521=52...(13) HA GLN 15 - HB ILE 17 far 0 85 0 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 3669 from cnoeabs.peaks (7.55, 3.81, 65.62 ppm; 4.97 A increased from 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HA THR 14 OK 100 100 100 100 4.4-5.0 869/935=82, 34/3668=80...(8) Violated in 1 structures by 0.00 A. Peak 3671 from cnoeabs.peaks (7.55, 3.79, 59.35 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HA GLN 15 OK 100 100 100 100 3.4-3.9 940=99, 529/3672=67...(10) QE PHE 52 - HA GLN 15 far 0 76 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 3672 from cnoeabs.peaks (2.00, 3.79, 59.35 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.97: * HB2 GLU 18 + HA GLN 15 OK 97 100 100 97 3.0-3.8 3675=72, 3.0/4096=51...(7) HB3 GLU 18 - HA GLN 15 far 0 100 0 - 4.6-5.4 HB2 MET 11 - HA GLN 15 far 0 100 0 - 4.8-5.6 HB2 ARG 21 - HA GLN 15 far 0 60 0 - 8.7-9.2 Violated in 1 structures by 0.00 A. Peak 3673 from cnoeabs.peaks (3.79, 2.00, 29.57 ppm; 4.28 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 15 + HB2 GLU 18 OK 100 100 100 100 3.0-3.8 3674=100, 4096/3.0=62...(7) HA GLN 15 - HB3 GLU 18 far 0 100 0 - 4.6-5.4 HA THR 14 - HB2 GLU 18 far 0 85 0 - 5.9-7.0 HA THR 14 - HB3 GLU 18 far 0 85 0 - 7.5-8.3 HA ARG 34 - HB3 GLU 18 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 3674 from cnoeabs.peaks (2.00, 3.79, 59.35 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.97: HB2 GLU 18 + HA GLN 15 OK 97 100 100 97 3.0-3.8 3675=72, 3.0/4096=51...(7) ! HB3 GLU 18 - HA GLN 15 far 0 100 0 - 4.6-5.4 HB2 MET 11 - HA GLN 15 far 0 100 0 - 4.8-5.6 HB2 ARG 21 - HA GLN 15 far 0 60 0 - 8.7-9.2 Violated in 1 structures by 0.00 A. Peak 3675 from cnoeabs.peaks (3.79, 2.00, 29.57 ppm; 4.28 A): 1 out of 5 assignments used, quality = 1.00: HA GLN 15 + HB2 GLU 18 OK 100 100 100 100 3.0-3.8 3674=100, 4096/3.0=62...(7) ! HA GLN 15 - HB3 GLU 18 far 0 100 0 - 4.6-5.4 HA THR 14 - HB2 GLU 18 far 0 85 0 - 5.9-7.0 HA THR 14 - HB3 GLU 18 far 0 85 0 - 7.5-8.3 HA ARG 34 - HB3 GLU 18 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 3676 from cnoeabs.peaks (7.98, 3.79, 59.35 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA GLN 15 OK 100 100 100 100 4.7-5.1 946=100, 39/3671=74...(7) H ILE 17 + HA GLN 15 OK 66 68 100 97 3.9-4.6 4.6/3671=59, 868/3.6=58...(5) Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (7.98, 3.23, 67.30 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA VAL 16 OK 100 100 100 100 3.3-3.7 945=100, 538/4769=56...(9) H ILE 17 + HA VAL 16 OK 68 68 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (0.71, 3.23, 67.30 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HA VAL 16 OK 100 100 100 100 2.6-3.4 3680=65, 3.1/4769=60...(12) QD1 LEU 41 - HA VAL 16 far 0 97 0 - 4.2-5.0 QD1 ILE 17 - HA VAL 16 far 0 98 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 3680 from cnoeabs.peaks (3.23, 0.71, 37.72 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 16 + HB2 LEU 19 OK 100 100 100 100 2.6-3.4 3679=100, 4769/3.1=76...(12) HD3 ARG 21 - HB2 LEU 19 far 0 98 0 - 6.7-9.5 HD2 ARG 21 - HB2 LEU 19 far 0 71 0 - 7.5-9.6 HB2 HIS 10 - HB2 LEU 19 far 0 73 0 - 7.7-14.0 Violated in 0 structures by 0.00 A. Peak 3681 from cnoeabs.peaks (-0.76, 3.23, 67.30 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HA VAL 16 OK 100 100 100 100 4.1-5.0 1.8/3679=99, 3.1/4769=89...(12) Violated in 0 structures by 0.00 A. Peak 3683 from cnoeabs.peaks (8.41, 3.23, 67.30 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HA VAL 16 OK 100 100 100 100 4.1-4.6 951=100, 45/945=78...(10) Violated in 0 structures by 0.00 A. Peak 3684 from cnoeabs.peaks (7.98, 3.69, 64.32 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.95: * H LEU 19 + HA ILE 17 OK 85 100 85 100 4.0-4.4 943=93, 39/3.6=67...(6) H ILE 17 + HA ILE 17 OK 68 68 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (8.41, 3.69, 64.32 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HA ILE 17 OK 100 100 100 100 3.1-3.5 950=100, 542/3689=67...(10) Violated in 0 structures by 0.00 A. Peak 3686 from cnoeabs.peaks (2.16, 3.69, 64.32 ppm; 4.52 A increased from 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HA ILE 17 OK 100 100 100 100 3.9-4.4 3687=100, 1.8/3689=94...(8) Violated in 0 structures by 0.00 A. Peak 3687 from cnoeabs.peaks (3.69, 2.16, 28.89 ppm; 4.36 A increased from 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HB2 GLU 20 OK 100 100 100 100 3.9-4.4 3689/1.8=91, 3686=90...(8) Violated in 2 structures by 0.00 A. Peak 3688 from cnoeabs.peaks (2.04, 3.69, 64.32 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + HA ILE 17 OK 100 100 100 100 2.3-2.9 3689=100, 1.8/3687=68...(9) HB2 LYS 22 - HA ILE 17 far 0 90 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 3689 from cnoeabs.peaks (3.69, 2.04, 28.89 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 17 + HB3 GLU 20 OK 99 100 100 99 2.3-2.9 3688=79, 3687/1.8=57...(8) Violated in 0 structures by 0.00 A. Peak 3690 from cnoeabs.peaks (8.31, 3.69, 64.32 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HA ILE 17 OK 100 100 100 100 4.0-4.4 956=100, 55/3689=82...(9) Violated in 0 structures by 0.00 A. Peak 3691 from cnoeabs.peaks (8.41, 4.19, 58.41 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HA GLU 18 OK 100 100 100 100 4.2-4.8 45/3.6=85, 52/3692=81...(4) Violated in 0 structures by 0.00 A. Peak 3692 from cnoeabs.peaks (8.31, 4.19, 58.41 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 21 + HA GLU 18 OK 99 100 100 99 3.5-3.9 548/3696=67, 947/3.6=39...(10) Violated in 0 structures by 0.00 A. Peak 3693 from cnoeabs.peaks (1.97, 4.19, 58.41 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.84: HB3 GLU 18 + HA GLU 18 OK 60 60 100 100 2.4-2.7 3.0=98, 3.0/1251=36...(14) HB2 GLU 18 + HA GLU 18 OK 60 60 100 100 3.0-3.0 3.0=98, 3.0/1251=36...(13) ! HB2 ARG 21 - HA GLU 18 far 5 100 5 - 3.1-3.5 HB3 ARG 21 - HA GLU 18 far 0 100 0 - 4.6-5.0 HD3 LYS 22 - HA GLU 18 far 0 99 0 - 5.7-8.5 Violated in 0 structures by 0.00 A. Peak 3694 from cnoeabs.peaks (4.19, 1.97, 30.19 ppm; 3.53 A increased from 3.14 A): 1 out of 5 assignments used, quality = 0.93: * HA GLU 18 + HB2 ARG 21 OK 93 100 100 93 3.1-3.5 3692/547=50...(6) HA GLU 18 - HB3 ARG 21 far 0 100 0 - 4.6-5.0 HA GLU 20 - HB2 ARG 21 far 0 65 0 - 5.6-5.8 HA GLU 20 - HB3 ARG 21 far 0 64 0 - 6.5-6.6 HA GLU 20 - HB3 GLU 67 far 0 41 0 - 9.3-34.3 Violated in 1 structures by 0.00 A. Peak 3695 from cnoeabs.peaks (1.97, 4.19, 58.41 ppm; 2.98 A): 2 out of 6 assignments used, quality = 0.90: HB3 GLU 18 + HA GLU 18 OK 68 68 100 100 2.4-2.7 3.0=98, 3.0/1251=36...(14) HB2 GLU 18 + HA GLU 18 OK 68 68 100 100 3.0-3.0 3.0=98, 3.0/1251=36...(13) HB2 ARG 21 - HA GLU 18 far 5 100 5 - 3.1-3.5 ! HB3 ARG 21 - HA GLU 18 far 0 100 0 - 4.6-5.0 HD3 LYS 22 - HA GLU 18 far 0 98 0 - 5.7-8.5 HB2 MET 11 - HA GLU 18 far 0 65 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3696 from cnoeabs.peaks (4.19, 1.97, 30.19 ppm; 3.53 A increased from 3.14 A): 1 out of 5 assignments used, quality = 0.93: HA GLU 18 + HB2 ARG 21 OK 93 100 100 93 3.1-3.5 3692/548=50...(6) ! HA GLU 18 - HB3 ARG 21 far 0 100 0 - 4.6-5.0 HA GLU 20 - HB2 ARG 21 far 0 64 0 - 5.6-5.8 HA GLU 20 - HB3 ARG 21 far 0 65 0 - 6.5-6.6 HA GLU 20 - HB3 GLU 67 far 0 37 0 - 9.3-34.3 Violated in 1 structures by 0.00 A. Peak 3697 from cnoeabs.peaks (8.03, 4.19, 58.41 ppm; 5.08 A increased from 4.28 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 22 + HA GLU 18 OK 99 100 100 99 4.7-5.1 60/3694=88, 873/3692=81...(4) H ILE 17 - HA GLU 18 far 4 83 5 - 5.2-5.5 H LEU 41 - HA GLU 18 far 0 65 0 - 8.8-9.3 H ASN 40 - HA GLU 18 far 0 96 0 - 9.9-10.4 Violated in 2 structures by 0.00 A. Peak 3699 from cnoeabs.peaks (8.03, 3.64, 58.54 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 22 + HA LEU 19 OK 99 100 100 99 3.5-3.7 960=82, 556/3702=47...(9) H ILE 17 - HA LEU 19 far 0 83 0 - 6.9-7.1 H LEU 41 - HA LEU 19 far 0 65 0 - 8.2-8.8 H ASN 40 - HA LEU 19 far 0 96 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 3700 from cnoeabs.peaks (2.06, 3.64, 58.54 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 22 + HA LEU 19 OK 100 100 100 100 2.8-3.8 3701=87, 1.8/3702=84...(7) HB3 GLU 20 - HA LEU 19 far 0 90 0 - 5.6-5.8 HB VAL 16 - HA LEU 19 far 0 87 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 3701 from cnoeabs.peaks (3.64, 2.06, 30.62 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 19 + HB2 LYS 22 OK 100 100 100 100 2.8-3.8 3700=100, 3702/1.8=89...(7) HA VAL 48 - HB2 LYS 22 far 0 97 0 - 8.3-9.8 HA ALA 38 - HB2 LYS 22 far 0 65 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (2.38, 3.64, 58.54 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 22 + HA LEU 19 OK 100 100 100 100 3.4-4.4 3703=74, 1.8/3700=72...(7) HG3 GLU 18 - HA LEU 19 far 0 65 0 - 6.3-6.6 HG2 MET 11 - HA LEU 19 far 0 99 0 - 7.8-10.1 HD2 ARG 55 - HA LEU 19 far 0 65 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 3703 from cnoeabs.peaks (3.64, 2.38, 30.62 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 19 + HB3 LYS 22 OK 100 100 100 100 3.4-4.4 3702=100, 3700/1.8=85...(7) HA VAL 48 - HB3 LYS 22 far 0 97 0 - 8.5-9.0 HA ALA 38 - HB3 LYS 22 far 0 65 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (8.03, 4.22, 59.07 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 22 + HA GLU 20 OK 100 100 100 100 3.9-4.7 958=100, 873/3.6=88...(6) H ILE 17 - HA GLU 20 far 0 83 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 3706 from cnoeabs.peaks (8.99, 4.22, 59.07 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HA GLU 20 OK 100 100 100 100 3.0-3.6 965=86, 565/3707=64...(7) Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (3.15, 4.22, 59.07 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 23 + HA GLU 20 OK 99 100 100 99 2.8-3.3 3708=78, 1.8/3709=66...(7) Violated in 0 structures by 0.00 A. Peak 3708 from cnoeabs.peaks (4.22, 3.15, 39.32 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + HB2 PHE 23 OK 100 100 100 100 2.8-3.3 3707=100, 3709/1.8=76...(7) HA GLU 18 - HB2 PHE 23 far 0 65 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 3709 from cnoeabs.peaks (3.08, 4.22, 59.07 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HA GLU 20 OK 100 100 100 100 2.4-2.9 3710=89, 1.8/3707=83...(7) Violated in 0 structures by 0.00 A. Peak 3710 from cnoeabs.peaks (4.22, 3.08, 39.32 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + HB3 PHE 23 OK 100 100 100 100 2.4-2.9 3709=100, 3707/1.8=87...(7) HA GLU 18 - HB3 PHE 23 far 0 65 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (8.13, 4.07, 59.55 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.78: * H SER 24 + HA ARG 21 OK 78 100 100 78 3.6-4.1 962/3.6=54, 4.0/3716=36 H LYS 27 - HA ARG 56 far 0 91 0 - 8.2-9.9 H LEU 68 - HA ARG 56 far 0 82 0 - 9.3-23.7 H SER 24 - HA ARG 56 far 0 93 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 3714 from cnoeabs.peaks (3.97, 4.07, 59.55 ppm; 3.42 A): 0 out of 3 assignments used, quality = 0.00: HB3 SER 24 - HA ARG 21 poor 15 100 50 31 3.1-5.0 4.0/3713=30 ! HB2 SER 24 - HA ARG 21 poor 11 100 35 31 3.2-4.9 4.0/3713=30 HB2 SER 66 - HA ARG 56 far 0 56 0 - 9.0-21.0 Violated in 0 structures by 0.00 A. Peak 3715 from cnoeabs.peaks (4.07, 3.97, 63.03 ppm; 2.80 A): 2 out of 4 assignments used, quality = 0.79: HA SER 24 + HB2 SER 24 OK 73 99 80 92 2.3-3.0 3.0=79, 3.0/571=21...(9) HA SER 24 + HB3 SER 24 OK 23 99 25 95 2.5-3.0 3.0=79, 1526/1.8=47...(9) HA ARG 21 - HB3 SER 24 far 0 100 0 - 3.1-5.0 ! HA ARG 21 - HB2 SER 24 far 0 100 0 - 3.2-4.9 Violated in 0 structures by 0.00 A. Peak 3716 from cnoeabs.peaks (3.97, 4.07, 59.55 ppm; 3.42 A): 0 out of 3 assignments used, quality = 0.00: ! HB3 SER 24 - HA ARG 21 poor 15 100 50 31 3.1-5.0 4.0/3713=30 HB2 SER 24 - HA ARG 21 poor 11 100 35 31 3.2-4.9 4.0/3713=30 HB2 SER 66 - HA ARG 56 far 0 51 0 - 9.0-21.0 Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (4.07, 3.97, 63.03 ppm; 2.80 A): 2 out of 4 assignments used, quality = 0.79: HA SER 24 + HB2 SER 24 OK 72 99 80 92 2.3-3.0 3.0=79, 3.0/572=21...(9) HA SER 24 + HB3 SER 24 OK 24 99 25 95 2.5-3.0 3.0=79, 1526/1.8=47...(9) ! HA ARG 21 - HB3 SER 24 far 0 100 0 - 3.1-5.0 HA ARG 21 - HB2 SER 24 far 0 100 0 - 3.2-4.9 Violated in 0 structures by 0.00 A. Peak 3719 from cnoeabs.peaks (7.21, 4.21, 57.19 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HA ALA 31 OK 100 100 100 100 4.3-4.7 133/976=93, 131/3.8=88...(5) Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (8.73, 4.21, 57.19 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA ALA 31 OK 100 100 100 100 3.9-4.2 976=100, 624/3722=77...(7) Violated in 0 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (1.94, 4.21, 57.19 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HA ALA 31 OK 100 100 100 100 3.4-3.7 3722=100, 1.8/3724=57...(4) Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (4.21, 1.94, 29.95 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.89: * HA ALA 31 + HB2 ARG 34 OK 89 100 95 94 3.4-3.7 3721=70, 976/624=44...(4) HB3 SER 30 - HB2 ARG 34 far 0 95 0 - 5.7-6.9 Violated in 1 structures by 0.01 A. Peak 3723 from cnoeabs.peaks (1.86, 4.21, 57.19 ppm; 4.88 A increased from 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 34 + HA ALA 31 OK 100 100 100 100 4.3-4.6 3724=100, 1.8/3722=99...(4) HB2 GLU 33 - HA ALA 31 far 0 73 0 - 6.6-7.0 HB3 LYS 49 - HA ALA 31 far 0 78 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 3724 from cnoeabs.peaks (4.21, 1.86, 29.95 ppm; 4.83 A increased from 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 31 + HB3 ARG 34 OK 100 100 100 100 4.3-4.6 3722/1.8=99, 3723=97...(4) HB3 SER 30 - HB3 ARG 34 far 0 95 0 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 3725 from cnoeabs.peaks (8.15, 4.21, 57.19 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HA ALA 31 OK 100 100 100 100 4.4-4.7 981=100, 141/3722=78...(7) H THR 46 - HA ALA 31 far 0 98 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (8.73, 4.38, 65.82 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA PRO 32 OK 100 100 100 100 4.3-4.9 133/3.5=90, 139/980=88...(6) Violated in 0 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (8.15, 4.38, 65.82 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + HA PRO 32 OK 100 100 100 100 3.4-3.8 980=100, 632/3729=84...(9) Violated in 0 structures by 0.00 A. Peak 3728 from cnoeabs.peaks (1.49, 4.38, 65.82 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 35 + HA PRO 32 OK 100 100 100 100 2.6-2.9 3729=100, 632/980=45...(5) HG LEU 43 - HB2 SER 12 far 0 61 0 - 7.0-10.1 HB3 LEU 29 - HA PRO 32 far 0 71 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 3729 from cnoeabs.peaks (4.38, 1.49, 17.89 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.99: * HA PRO 32 + QB ALA 35 OK 99 100 100 99 2.6-2.9 3728=95, 980/632=44...(5) HA ASN 40 - QB ALA 35 far 0 98 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (8.15, 4.07, 58.90 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 35 + HA GLU 33 OK 100 100 100 100 4.2-4.7 139/3.6=82, 147/985=77...(6) H ALA 35 - HA LYS 39 far 0 88 0 - 8.6-8.9 H THR 46 - HA LYS 39 far 0 83 0 - 9.1-9.5 Violated in 1 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (7.99, 4.07, 58.90 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.99: * H HIS 36 + HA GLU 33 OK 99 100 100 99 3.6-3.8 985=93, 636/3735=49...(5) H ASN 40 + HA LYS 39 OK 49 49 100 100 3.5-3.5 3.6=100 H HIS 36 - HA LYS 39 far 0 88 0 - 7.5-7.7 H ASN 40 - HA GLU 33 far 0 63 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (3.19, 4.07, 58.90 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.91: HB3 HIS 36 + HA GLU 33 OK 91 100 100 91 2.7-3.1 3734=71, 636/985=34...(5) ! HB2 HIS 36 - HA GLU 33 far 0 100 0 - 4.0-4.7 HB2 HIS 36 - HA LYS 39 far 0 88 0 - 7.8-8.3 HB3 HIS 36 - HA LYS 39 far 0 88 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (4.07, 3.19, 30.63 ppm; 3.75 A): 1 out of 7 assignments used, quality = 1.00: HA GLU 33 + HB3 HIS 36 OK 100 100 100 100 2.7-3.1 3733=100, 985/4.0=43...(5) ! HA GLU 33 - HB2 HIS 36 far 0 100 0 - 4.0-4.7 HA LEU 37 - HB2 HIS 36 far 0 96 0 - 4.2-5.7 HA LEU 37 - HB3 HIS 36 far 0 96 0 - 4.4-4.8 HA LYS 39 - HB2 HIS 36 far 0 97 0 - 7.8-8.3 HA LYS 39 - HB3 HIS 36 far 0 97 0 - 8.4-8.5 HB THR 14 - HB2 HIS 10 far 0 46 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 3735 from cnoeabs.peaks (3.19, 4.07, 58.90 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.91: * HB3 HIS 36 + HA GLU 33 OK 91 100 100 91 2.7-3.1 3736=71, 636/985=34...(5) HB2 HIS 36 - HA GLU 33 far 0 100 0 - 4.0-4.7 HB2 HIS 36 - HA LYS 39 far 0 88 0 - 7.8-8.3 HB3 HIS 36 - HA LYS 39 far 0 88 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 3736 from cnoeabs.peaks (4.07, 3.19, 30.63 ppm; 3.75 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 33 + HB3 HIS 36 OK 100 100 100 100 2.7-3.1 3735=100, 985/4.0=43...(5) HA GLU 33 - HB2 HIS 36 far 0 100 0 - 4.0-4.7 HA LEU 37 - HB2 HIS 36 far 0 96 0 - 4.2-5.7 HA LEU 37 - HB3 HIS 36 far 0 96 0 - 4.4-4.8 HA LYS 39 - HB2 HIS 36 far 0 97 0 - 7.8-8.3 HA LYS 39 - HB3 HIS 36 far 0 97 0 - 8.4-8.5 HB THR 14 - HB2 HIS 10 far 0 48 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 3737 from cnoeabs.peaks (8.07, 4.07, 58.90 ppm; 4.01 A increased from 3.78 A): 1 out of 4 assignments used, quality = 0.81: H LEU 41 + HA LYS 39 OK 81 82 100 98 3.8-4.0 175/3.6=70, 1007=60...(5) ! H LEU 37 - HA GLU 33 far 15 100 15 - 4.1-4.5 H LEU 37 - HA LYS 39 far 0 88 0 - 6.7-6.9 H GLN 47 - HA LYS 39 far 0 76 0 - 9.2-9.7 Violated in 1 structures by 0.00 A. Peak 3739 from cnoeabs.peaks (8.07, 3.79, 59.87 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HA ARG 34 OK 100 100 100 100 3.5-3.7 990=100, 640/3740=73...(9) H LEU 41 - HA ARG 34 far 0 97 0 - 8.4-8.9 H GLN 47 - HA ARG 34 far 0 92 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3740 from cnoeabs.peaks (1.66, 3.79, 59.87 ppm; 3.83 A increased from 3.61 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LEU 37 + HA ARG 34 OK 99 100 100 99 3.3-3.8 3741=76, 1.8/3742=69...(8) HG3 LYS 22 - HA ARG 34 far 0 93 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (3.79, 1.66, 42.65 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + HB2 LEU 37 OK 100 100 100 100 3.3-3.8 3740=100, 3742/1.8=80...(8) HD3 PRO 32 - HB2 LEU 37 far 0 97 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (1.73, 3.79, 59.87 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + HA ARG 34 OK 100 100 100 100 2.6-2.8 3743=91, 1.8/3740=81...(8) HG2 LYS 22 - HA ARG 34 far 0 87 0 - 5.0-5.8 HD2 LYS 49 - HA ARG 34 far 0 60 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (3.79, 1.73, 42.65 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + HB3 LEU 37 OK 100 100 100 100 2.6-2.8 3742=100, 3740/1.8=85...(8) HD3 PRO 32 - HB3 LEU 37 far 0 97 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (8.44, 3.79, 59.87 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA ARG 34 OK 100 100 100 100 3.7-4.2 996=100, 887/990=77...(7) Violated in 0 structures by 0.00 A. Peak 3745 from cnoeabs.peaks (8.07, 3.98, 55.19 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HA ALA 35 OK 100 100 100 100 3.9-4.1 988=100, 886/3.6=95...(6) H LEU 41 - HA ALA 35 far 0 97 0 - 7.7-8.0 H GLN 47 - HA ALA 35 far 0 92 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 3746 from cnoeabs.peaks (8.44, 3.98, 55.19 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA ALA 35 OK 100 100 100 100 3.4-3.7 995=100, 647/3747=81...(7) Violated in 0 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (1.34, 3.98, 55.19 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.99: * QB ALA 38 + HA ALA 35 OK 99 100 100 99 2.9-3.1 3748=93, 647/995=41...(8) HG2 ARG 34 - HA ALA 35 far 0 100 0 - 3.4-3.9 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (3.98, 1.34, 17.52 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 35 + QB ALA 38 OK 100 100 100 100 2.9-3.1 3747=100, 995/647=43...(8) HA LYS 42 - QB ALA 38 far 0 100 0 - 5.5-5.8 HA GLN 47 - QB ALA 38 far 0 76 0 - 6.1-6.7 HB2 SER 30 - QB ALA 38 far 0 60 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 3749 from cnoeabs.peaks (7.67, 3.98, 55.19 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA ALA 35 OK 100 100 100 100 3.9-4.3 1001=100, 164/3747=91...(5) H VAL 48 - HA ALA 35 far 0 98 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (8.44, 4.32, 59.41 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA HIS 36 OK 100 100 100 100 4.5-4.9 993=100, 887/3.6=95...(7) Violated in 0 structures by 0.00 A. Peak 3751 from cnoeabs.peaks (7.67, 4.32, 59.41 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA HIS 36 OK 100 100 100 100 3.7-4.0 1000=100, 651/3755=73...(11) Violated in 0 structures by 0.00 A. Peak 3752 from cnoeabs.peaks (1.92, 4.32, 59.41 ppm; 4.11 A increased from 3.46 A): 1 out of 3 assignments used, quality = 1.00: HB3 LYS 39 + HA HIS 36 OK 100 100 100 100 3.9-3.9 3753=100, 650/1000=67...(11) ! HB2 LYS 39 - HA HIS 36 far 0 100 0 - 4.7-4.9 HB2 ARG 34 - HA HIS 36 far 0 90 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 3753 from cnoeabs.peaks (4.32, 1.92, 32.12 ppm; 3.94 A increased from 3.70 A): 1 out of 4 assignments used, quality = 1.00: HA HIS 36 + HB3 LYS 39 OK 100 100 100 100 3.9-3.9 3752=88, 1000/650=62...(11) ! HA HIS 36 - HB2 LYS 39 far 0 100 0 - 4.7-4.9 HA LEU 41 - HB2 LYS 39 far 0 76 0 - 7.7-7.9 HA LEU 41 - HB3 LYS 39 far 0 75 0 - 8.2-8.3 Violated in 1 structures by 0.00 A. Peak 3754 from cnoeabs.peaks (1.92, 4.32, 59.41 ppm; 4.11 A increased from 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + HA HIS 36 OK 100 100 100 100 3.9-3.9 3755=100, 651/1000=67...(11) HB2 LYS 39 - HA HIS 36 far 0 100 0 - 4.7-4.9 HB2 ARG 34 - HA HIS 36 far 0 93 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 3755 from cnoeabs.peaks (4.32, 1.92, 32.12 ppm; 3.94 A increased from 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 36 + HB3 LYS 39 OK 100 100 100 100 3.9-3.9 3754=88, 1000/651=62...(11) HA HIS 36 - HB2 LYS 39 far 0 100 0 - 4.7-4.9 HA LEU 41 - HB2 LYS 39 far 0 75 0 - 7.7-7.9 HA LEU 41 - HB3 LYS 39 far 0 76 0 - 8.2-8.3 Violated in 1 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (8.02, 4.32, 59.41 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.63: H HIS 36 + HA HIS 36 OK 63 63 100 100 2.8-2.8 3.0=100 ! H ASN 40 - HA HIS 36 far 0 100 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (7.67, 4.06, 57.84 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HA LEU 37 OK 100 100 100 100 4.5-4.7 888/3.6=91, 889/3758=90...(5) H VAL 48 - HA LEU 37 far 0 98 0 - 9.1-9.7 HE22 GLN 26 - HA LEU 37 far 0 60 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (8.02, 4.06, 57.84 ppm; 3.68 A): 1 out of 3 assignments used, quality = 0.99: * H ASN 40 + HA LEU 37 OK 99 100 100 99 3.4-3.5 660/3759=58, 1005=57...(10) H HIS 36 - HA LEU 37 far 0 63 0 - 5.1-5.3 H LYS 22 - HA LEU 37 far 0 96 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 3759 from cnoeabs.peaks (2.76, 4.06, 57.84 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASN 40 + HA LEU 37 OK 99 100 100 99 2.5-2.6 3760=69, 1.8/3761=56...(11) Violated in 0 structures by 0.00 A. Peak 3760 from cnoeabs.peaks (4.06, 2.76, 38.33 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + HB2 ASN 40 OK 100 100 100 100 2.5-2.6 3759=100, 3761/1.8=72...(11) HA LYS 39 - HB2 ASN 40 far 0 76 0 - 5.6-5.6 HA GLU 33 - HB2 ASN 40 far 0 95 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 3761 from cnoeabs.peaks (2.70, 4.06, 57.84 ppm; 4.21 A increased from 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HA LEU 37 OK 100 100 100 100 4.0-4.0 3762=97, 1.8/3759=90...(9) Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (4.06, 2.70, 38.33 ppm; 4.26 A increased from 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + HB3 ASN 40 OK 100 100 100 100 4.0-4.0 3761=100, 3759/1.8=91...(9) HA LYS 39 - HB3 ASN 40 far 0 76 0 - 6.5-6.5 HA GLU 33 - HB3 ASN 40 far 0 95 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (8.06, 4.06, 57.84 ppm; 3.39 A): 1 out of 3 assignments used, quality = 0.97: H LEU 37 + HA LEU 37 OK 97 97 100 100 2.9-2.9 3.0=100 ! H LEU 41 - HA LEU 37 far 0 100 0 - 4.7-4.9 H LYS 22 - HA LEU 37 far 0 65 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (8.02, 3.61, 55.88 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 40 + HA ALA 38 OK 100 100 100 100 4.0-4.2 889/3.6=81, 4419/2.1=79...(5) H HIS 36 - HA ALA 38 far 0 63 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 3765 from cnoeabs.peaks (8.06, 3.61, 55.88 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 41 + HA ALA 38 OK 100 100 100 100 3.4-3.5 1009=81, 666/3766=65...(8) H LEU 37 - HA ALA 38 far 0 97 0 - 5.1-5.2 H GLN 47 - HA ALA 38 far 0 100 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (1.62, 3.61, 55.88 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.98: * HB2 LEU 41 + HA ALA 38 OK 98 100 100 98 3.2-3.5 3767=49, 666/3765=47...(9) HB3 LEU 43 - HA ALA 38 far 0 93 0 - 4.0-4.6 HB3 GLN 15 - HA ALA 38 far 0 90 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 3767 from cnoeabs.peaks (3.61, 1.62, 42.54 ppm; 4.93 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + HB2 LEU 41 OK 100 100 100 100 3.2-3.5 3766=100, 3769/1.8=74...(9) HA VAL 48 - HB2 LEU 41 far 0 90 0 - 6.2-7.0 HA LEU 19 - HB2 LEU 41 far 0 65 0 - 6.9-7.5 HA GLU 45 - HB2 LEU 41 far 0 60 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 3768 from cnoeabs.peaks (1.43, 3.61, 55.88 ppm; 5.20 A increased from 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + HA ALA 38 OK 100 100 100 100 4.9-5.2 3769=100, 1.8/3766=99...(8) HG2 LYS 39 - HA ALA 38 far 0 100 0 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (3.61, 1.43, 42.54 ppm; 5.19 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + HB3 LEU 41 OK 100 100 100 100 4.9-5.2 3768=99, 3766/1.8=99...(8) HA LEU 19 - HB3 LEU 41 far 0 65 0 - 6.7-7.5 HA VAL 48 - HB3 LEU 41 far 0 90 0 - 7.3-8.2 HA GLU 45 - HB3 LEU 41 far 0 60 0 - 10.0-10.4 Violated in 3 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (8.06, 4.08, 59.02 ppm; 4.01 A increased from 3.78 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 41 + HA LYS 39 OK 99 100 100 99 3.8-4.0 175/3.6=73, 1007=65...(5) H LEU 37 - HA GLU 33 far 12 82 15 - 4.1-4.5 H LEU 37 - HA LYS 39 far 0 97 0 - 6.7-6.9 H GLN 47 - HA LYS 39 far 0 100 0 - 9.2-9.7 Violated in 1 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (7.68, 3.64, 61.08 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 48 + HA GLU 45 OK 99 100 100 99 3.5-4.0 712/3773=67, 714/4512=63...(7) H LYS 39 - HA GLU 45 far 0 98 0 - 5.8-6.4 HE22 GLN 47 - HA GLU 45 far 0 90 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 3773 from cnoeabs.peaks (2.16, 3.64, 61.08 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.98: * HB VAL 48 + HA GLU 45 OK 98 100 100 98 2.7-3.6 2.1/4512=61, 3774=51...(8) Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (3.64, 2.16, 32.06 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 45 + HB VAL 48 OK 100 100 100 100 2.7-3.6 3773=93, 4512/2.1=59...(8) HA VAL 48 + HB VAL 48 OK 95 95 100 100 3.0-3.0 3.0=100 HA ALA 38 - HB VAL 48 far 0 60 0 - 4.4-5.0 HA LEU 19 - HB VAL 48 far 0 100 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (8.54, 3.64, 61.08 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA GLU 45 OK 100 100 100 100 3.7-4.8 229/3773=87, 898/3772=76...(6) Violated in 0 structures by 0.00 A. Peak 3777 from cnoeabs.peaks (8.54, 3.90, 66.50 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA THR 46 OK 100 100 100 100 3.5-3.9 1022=100, 717/3778=67...(11) Violated in 0 structures by 0.00 A. Peak 3778 from cnoeabs.peaks (2.13, 3.90, 66.50 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LYS 49 + HA THR 46 OK 99 100 100 99 2.7-3.2 3779=81, 1.8/3780=60...(11) HB2 GLN 53 - HA THR 46 far 0 76 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (3.90, 2.13, 33.10 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HB2 LYS 49 OK 100 100 100 100 2.7-3.2 3778=100, 3780/1.8=69...(11) Violated in 0 structures by 0.00 A. Peak 3780 from cnoeabs.peaks (1.88, 3.90, 66.50 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HA THR 46 OK 100 100 100 100 3.1-3.8 3781=95, 1.8/3778=85...(10) HB3 ARG 34 - HA THR 46 far 0 78 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 3781 from cnoeabs.peaks (3.90, 1.88, 33.10 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HB3 LYS 49 OK 100 100 100 100 3.1-3.8 3780=100, 3778/1.8=87...(10) Violated in 0 structures by 0.00 A. Peak 3782 from cnoeabs.peaks (8.69, 3.90, 66.50 ppm; 4.77 A increased from 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA THR 46 OK 100 100 100 100 3.9-4.7 1028=91, 234/3778=79...(7) Violated in 0 structures by 0.00 A. Peak 3783 from cnoeabs.peaks (8.54, 3.96, 59.66 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA GLN 47 OK 100 100 100 100 4.1-4.6 1020=100, 898/3.6=97...(5) Violated in 0 structures by 0.00 A. Peak 3784 from cnoeabs.peaks (8.69, 3.96, 59.66 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA GLN 47 OK 100 100 100 100 3.4-3.8 1027=100, 727/3785=78...(6) Violated in 0 structures by 0.00 A. Peak 3785 from cnoeabs.peaks (1.94, 3.96, 59.66 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.98: * HB ILE 50 + HA GLN 47 OK 98 100 100 98 3.0-3.4 3786=83, 3.2/4544=43...(6) Violated in 0 structures by 0.00 A. Peak 3786 from cnoeabs.peaks (3.96, 1.94, 37.64 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HB ILE 50 OK 100 100 100 100 3.0-3.4 3785=100, 4544/3.2=49...(6) HA GLN 53 - HB ILE 50 far 0 81 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 3787 from cnoeabs.peaks (8.27, 3.96, 59.66 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA GLN 47 OK 100 100 100 100 4.3-4.7 1033=98, 244/3785=79...(6) H ASN 54 - HA GLN 47 far 0 60 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (8.27, 3.63, 67.46 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA VAL 48 OK 100 100 100 100 3.2-3.7 1032=100, 735/3793=66...(6) H ASN 54 - HA VAL 48 far 0 60 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (3.50, 3.63, 67.46 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HA VAL 48 OK 100 100 100 100 2.8-3.5 3791=94, 1.8/3793=74...(10) HB3 PHE 52 - HA VAL 48 far 0 63 0 - 5.4-7.4 Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (3.63, 3.50, 29.17 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 48 + HB2 TRP 51 OK 100 100 100 100 2.8-3.5 3790=100, 3793/1.8=76...(10) HA LEU 19 - HB2 TRP 51 far 0 97 0 - 6.3-6.9 HA ALA 38 - HB2 TRP 51 far 0 90 0 - 7.8-8.2 HA GLU 45 - HB2 TRP 51 far 0 95 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (3.29, 3.63, 67.46 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + HA VAL 48 OK 100 100 100 100 2.8-3.8 3793=100, 1.8/3790=84...(9) HD3 ARG 34 - HA VAL 48 far 0 78 0 - 5.1-6.4 HB2 PHE 52 - HA VAL 48 far 0 89 0 - 5.4-7.9 Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (3.63, 3.29, 29.17 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 48 + HB3 TRP 51 OK 100 100 100 100 2.8-3.8 3792=85, 3790/1.8=78...(9) HA LEU 19 - HB3 TRP 51 far 0 97 0 - 7.0-7.8 HA ALA 38 - HB3 TRP 51 far 0 90 0 - 8.0-8.5 HA GLU 45 - HB3 TRP 51 far 0 95 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (8.94, 3.63, 67.46 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA VAL 48 OK 100 100 100 100 4.0-4.7 1038=100, 249/1032=85...(5) Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (8.94, 4.33, 59.98 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA LYS 49 OK 100 100 100 100 3.7-4.0 1037=100, 259/1043=68...(6) Violated in 0 structures by 0.00 A. Peak 3797 from cnoeabs.peaks (3.27, 4.33, 59.98 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 34 + HA LYS 49 OK 99 100 100 100 2.6-4.0 4342=69, 1.8/4340=57...(11) * HB2 PHE 52 + HA LYS 49 OK 27 100 30 91 2.8-5.1 1.8/3800=54, 3798=46...(4) HB3 TRP 51 - HA LYS 49 far 0 89 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 3798 from cnoeabs.peaks (4.33, 3.27, 39.64 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.99: * HA LYS 49 + HB2 PHE 52 OK 99 100 100 99 2.8-5.1 3800/1.8=88, 1037/4.1=64...(4) HA ASN 54 - HB2 PHE 52 far 0 65 0 - 7.8-8.2 HA LYS 22 - HB2 PHE 52 far 0 76 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (3.53, 4.33, 59.98 ppm; 4.53 A increased from 4.02 A): 2 out of 3 assignments used, quality = 0.97: HD2 ARG 34 + HA LYS 49 OK 84 93 90 100 3.6-4.7 4340=80, 1.8/4342=78...(11) * HB3 PHE 52 + HA LYS 49 OK 79 100 80 98 3.3-4.8 3800=81, 1.8/3798=62...(4) HB2 TRP 51 - HA LYS 49 far 0 63 0 - 4.8-5.4 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (4.33, 3.53, 39.64 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.98: * HA LYS 49 + HB3 PHE 52 OK 98 100 100 98 3.3-4.8 3798/1.8=72...(4) HA ASN 54 - HB3 PHE 52 far 0 65 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (8.94, 3.77, 64.05 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 52 + HA ILE 50 OK 99 100 100 99 4.7-5.0 249/3.6=83, 259/3803=77...(4) Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (8.03, 3.77, 64.05 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HA ILE 50 OK 100 100 100 100 3.4-3.8 751/3806=65...(10) H GLN 47 - HA ILE 50 far 0 87 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 3804 from cnoeabs.peaks (2.15, 3.77, 64.05 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.44: * HB2 GLN 53 + HA ILE 50 OK 44 100 45 98 2.3-4.4 1.8/3806=65, 3805=48...(11) HB2 LYS 49 - HA ILE 50 far 0 76 0 - 3.9-4.4 HB VAL 48 - HA ILE 50 far 0 93 0 - 7.5-7.8 Violated in 11 structures by 0.43 A. Peak 3805 from cnoeabs.peaks (3.77, 2.15, 28.54 ppm; 4.36 A increased from 3.87 A): 1 out of 9 assignments used, quality = 1.00: * HA ILE 50 + HB2 GLN 53 OK 100 100 100 100 2.3-4.4 3804=100, 3806/1.8=92...(11) HA2 GLY 69 - HB2 GLU 20 far 0 24 0 - 5.4-34.5 HA PHE 52 - HB2 GLN 53 far 0 89 0 - 5.7-6.6 HA3 GLY 69 - HB2 GLU 20 far 0 25 0 - 5.8-34.8 HA GLN 15 - HB3 LYS 42 far 0 64 0 - 7.4-8.2 HA2 GLY 69 - HB2 GLN 53 far 0 63 0 - 7.7-29.7 HA3 GLY 69 - HB2 GLN 53 far 0 65 0 - 7.9-28.6 HA PHE 52 - HB2 GLU 20 far 0 37 0 - 9.2-10.0 HA GLN 15 - HB2 GLU 20 far 0 33 0 - 9.9-10.3 Violated in 2 structures by 0.00 A. Peak 3806 from cnoeabs.peaks (2.22, 3.77, 64.05 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 53 + HA ILE 50 OK 100 100 100 100 2.5-3.7 1.8/3804=80, 3807=78...(9) HG2 ARG 56 - HA ILE 50 far 0 83 0 - 8.6-11.3 HG3 GLU 67 - HA ILE 50 far 0 65 0 - 9.1-35.2 Violated in 4 structures by 0.00 A. Peak 3807 from cnoeabs.peaks (3.77, 2.22, 28.54 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + HB3 GLN 53 OK 100 100 100 100 2.5-3.7 3806=100, 3804/1.8=88...(9) HA PHE 52 - HB3 GLN 53 far 0 89 0 - 5.8-6.0 HA2 GLY 69 - HB3 GLN 53 far 0 63 0 - 8.8-29.6 HA3 GLY 69 - HB3 GLN 53 far 0 65 0 - 9.0-28.3 Violated in 0 structures by 0.00 A. Peak 3808 from cnoeabs.peaks (8.29, 3.77, 64.05 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 54 + HA ILE 50 OK 100 100 100 100 3.5-4.3 1048=100, 267/3804=73...(10) H TRP 51 + HA ILE 50 OK 60 60 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3810 from cnoeabs.peaks (8.29, 4.02, 63.12 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 54 + HA TRP 51 OK 100 100 100 100 3.3-4.0 1047=80, 759/3813=57...(8) H TRP 51 + HA TRP 51 OK 60 60 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 3811 from cnoeabs.peaks (2.48, 4.02, 63.12 ppm; 4.84 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 54 + HA TRP 51 OK 100 100 100 100 4.2-4.6 3812=97, 1.8/3813=92...(6) HG3 MET 11 - HA TRP 51 far 0 98 0 - 6.3-8.8 HG3 GLN 15 - HA TRP 51 far 0 97 0 - 8.3-10.1 HG2 GLU 20 - HA TRP 51 far 0 96 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 3812 from cnoeabs.peaks (4.02, 2.48, 37.68 ppm; 4.88 A increased from 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB2 ASN 54 OK 100 100 100 100 4.2-4.6 3811=100, 3813/1.8=93...(6) Violated in 0 structures by 0.00 A. Peak 3813 from cnoeabs.peaks (2.65, 4.02, 63.12 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HA TRP 51 OK 100 100 100 100 2.6-3.1 3814=99, 1.8/3811=61...(6) Violated in 0 structures by 0.00 A. Peak 3814 from cnoeabs.peaks (4.02, 2.65, 37.68 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB3 ASN 54 OK 100 100 100 100 2.6-3.1 3813=100, 3811/1.8=61...(6) Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (8.07, 4.02, 63.12 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.96: * H ARG 55 + HA TRP 51 OK 96 100 100 96 3.5-4.1 904/1047=70, 276/3813=67...(4) H GLN 47 - HA TRP 51 far 0 76 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 3817 from cnoeabs.peaks (8.07, 3.76, 63.31 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 55 + HA PHE 52 OK 99 100 100 99 3.8-4.2 1052=94, 764/3818=56...(5) Violated in 0 structures by 0.00 A. Peak 3818 from cnoeabs.peaks (0.65, 3.76, 63.31 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.96: * HB2 ARG 55 + HA PHE 52 OK 96 100 100 96 2.9-4.1 3819=53, 764/3817=50...(8) QD1 LEU 43 - HA PHE 52 far 0 100 0 - 8.2-9.0 HG2 LYS 27 - HA PHE 52 far 0 87 0 - 8.4-9.2 Violated in 1 structures by 0.00 A. Peak 3819 from cnoeabs.peaks (3.76, 0.65, 28.41 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * HA PHE 52 + HB2 ARG 55 OK 100 100 100 100 2.9-4.1 3818=100, 3817/764=72...(8) HA3 GLY 69 - HB2 ARG 55 far 0 97 0 - 6.7-27.8 HA2 GLY 69 - HB2 ARG 55 far 0 97 0 - 6.8-29.4 HA ILE 50 - HB2 ARG 55 far 0 89 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (-0.28, 3.76, 63.31 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.97: * HB3 ARG 55 + HA PHE 52 OK 88 100 90 98 2.7-4.9 1.8/3818=86, 765/3817=57...(7) HG2 ARG 55 + HA PHE 52 OK 77 100 85 91 3.8-4.6 3.0/3818=69, 5.1/3817=42...(5) QD1 LEU 19 - HA PHE 52 far 0 100 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (7.75, 3.76, 63.31 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 52 + HA PHE 52 OK 100 100 100 100 3.0-3.0 3.7=100 * H ARG 56 + HA PHE 52 OK 58 100 70 82 3.5-4.4 279/3817=48, 281/3818=42...(4) H THR 59 - HA PHE 52 far 0 78 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (8.07, 3.94, 59.15 ppm; 4.82 A increased from 4.29 A): 1 out of 1 assignment used, quality = 0.96: * H ARG 55 + HA GLN 53 OK 96 100 100 96 4.6-4.8 904/3.6=82, 279/3824=62 Violated in 2 structures by 0.00 A. Peak 3824 from cnoeabs.peaks (7.75, 3.94, 59.15 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 56 + HA GLN 53 OK 100 100 100 100 3.5-4.2 1057=88, 773/3827=59...(6) QD PHE 52 - HA GLN 53 far 0 100 0 - 5.7-5.9 H THR 59 - HA GLN 53 far 0 78 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 3825 from cnoeabs.peaks (1.72, 3.94, 59.15 ppm; 4.78 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 56 + HA GLN 53 OK 100 100 100 100 3.3-4.5 3826=99, 1.8/3827=87...(5) HD2 LYS 49 - HA GLN 53 far 0 87 0 - 5.0-9.0 HD3 LYS 49 - HA GLN 53 far 0 85 0 - 5.7-9.4 HG13 ILE 50 - HA GLN 53 far 0 60 0 - 7.8-9.1 HB3 LYS 58 - HA GLN 53 far 0 97 0 - 8.2-9.3 HB3 ARG 61 - HA GLN 53 far 0 99 0 - 8.9-16.6 Violated in 0 structures by 0.00 A. Peak 3826 from cnoeabs.peaks (3.94, 1.72, 31.63 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 53 + HB2 ARG 56 OK 100 100 100 100 3.3-4.5 3825=100, 3827/1.8=87...(5) HB2 SER 65 - HB2 ARG 56 far 0 99 0 - 5.1-20.0 HB2 SER 66 - HB2 ARG 56 far 0 100 0 - 7.4-20.9 Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (2.04, 3.94, 59.15 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ARG 56 + HA GLN 53 OK 99 100 100 99 2.5-3.8 3828=87, 1.8/3825=70...(5) Violated in 0 structures by 0.00 A. Peak 3828 from cnoeabs.peaks (3.94, 2.04, 31.63 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 53 + HB3 ARG 56 OK 100 100 100 100 2.5-3.8 3827=100, 3825/1.8=76...(5) HB2 SER 65 - HB3 ARG 56 far 0 99 0 - 6.1-21.3 HB2 SER 66 - HB3 ARG 56 far 0 100 0 - 8.8-22.7 Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (7.56, 3.94, 59.15 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.98: * H TYR 57 + HA GLN 53 OK 98 100 100 98 4.1-4.7 290/3827=73, 287/3824=71...(4) Violated in 0 structures by 0.00 A. Peak 3831 from cnoeabs.peaks (7.56, 4.36, 55.11 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 57 + HA ASN 54 OK 100 100 100 100 3.2-3.5 1062=100, 781/3834=71...(6) H TYR 57 - HA LEU 68 far 0 88 0 - 8.6-26.7 H TYR 57 - HA LEU 64 far 0 60 0 - 9.5-19.3 Violated in 0 structures by 0.00 A. Peak 3832 from cnoeabs.peaks (3.09, 4.36, 55.11 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TYR 57 + HA ASN 54 OK 100 100 100 100 2.3-2.7 3833=82, 1.8/3834=80...(6) HB2 TYR 57 - HA LEU 68 far 0 88 0 - 7.5-27.3 HB3 HIS 10 - HA ASN 54 far 0 96 0 - 8.5-16.3 HB2 TYR 57 - HA LEU 64 far 0 60 0 - 9.6-20.3 HB3 PHE 23 - HA LEU 68 far 0 76 0 - 9.6-30.9 Violated in 0 structures by 0.00 A. Peak 3833 from cnoeabs.peaks (4.36, 3.09, 37.92 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HB2 TYR 57 OK 100 100 100 100 2.3-2.7 3832=100, 3834/1.8=87...(6) HA LEU 68 - HB2 TYR 57 far 0 99 0 - 7.5-27.3 HA LEU 64 - HB2 TYR 57 far 0 85 0 - 9.6-20.3 Violated in 0 structures by 0.00 A. Peak 3834 from cnoeabs.peaks (3.17, 4.36, 55.11 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.99: * HB3 TYR 57 + HA ASN 54 OK 99 100 100 99 3.4-4.0 3835=80, 1.8/3832=70...(6) HD3 ARG 61 - HA LEU 64 far 0 35 0 - 5.6-14.7 HB3 TYR 57 - HA LEU 68 far 0 88 0 - 5.9-27.1 HD2 ARG 61 - HA LEU 64 far 0 35 0 - 6.7-13.5 HB3 TYR 57 - HA LEU 64 far 0 60 0 - 8.0-20.1 HD3 ARG 61 - HA LEU 68 far 0 56 0 - 8.2-24.4 HD2 ARG 61 - HA LEU 68 far 0 56 0 - 9.0-23.0 HD3 ARG 61 - HA ASN 54 far 0 71 0 - 9.3-17.3 Violated in 1 structures by 0.00 A. Peak 3835 from cnoeabs.peaks (4.36, 3.17, 37.92 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HB3 TYR 57 OK 100 100 100 100 3.4-4.0 3834=100, 3832/1.8=79...(6) HA LEU 68 - HB3 TYR 57 far 0 99 0 - 5.9-27.1 HA LEU 64 - HB3 TYR 57 far 0 85 0 - 8.0-20.1 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (7.68, 4.36, 55.11 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 58 + HA ASN 54 OK 99 100 100 99 3.9-4.6 907/1062=75, 298/3834=68...(4) H LYS 58 - HA LEU 68 far 0 88 0 - 7.4-26.9 Violated in 0 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (7.68, 3.43, 56.09 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HA ARG 55 OK 100 100 100 100 3.2-3.7 1066=100, 787/3841=76...(7) Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (1.80, 3.43, 56.09 ppm; 4.83 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HA ARG 55 OK 100 100 100 100 4.2-4.8 1.8/3841=87, 3840=82...(6) HB2 LYS 62 - HA ARG 55 far 0 68 0 - 8.1-17.8 HB3 LYS 62 - HA ARG 55 far 0 65 0 - 8.3-16.8 HB3 LYS 60 - HA ARG 55 far 0 73 0 - 8.9-11.5 HB2 ARG 61 - HA ARG 55 far 0 98 0 - 8.9-14.1 Violated in 0 structures by 0.00 A. Peak 3840 from cnoeabs.peaks (3.43, 1.80, 32.42 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB2 LYS 58 OK 100 100 100 100 4.2-4.8 3839=100, 3841/1.8=94...(6) Violated in 0 structures by 0.00 A. Peak 3841 from cnoeabs.peaks (1.73, 3.43, 56.09 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.97: * HB3 LYS 58 + HA ARG 55 OK 97 100 100 97 2.5-4.2 1.8/3839=69, 3842=56...(6) HB2 ARG 56 - HA ARG 55 far 0 97 0 - 5.6-6.6 HB3 ARG 61 - HA ARG 55 far 0 100 0 - 8.2-14.9 Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (3.43, 1.73, 32.42 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB3 LYS 58 OK 100 100 100 100 2.5-4.2 3841=100, 3839/1.8=92...(6) Violated in 0 structures by 0.00 A. Peak 3843 from cnoeabs.peaks (7.68, 4.08, 59.51 ppm; 4.56 A increased from 3.84 A): 1 out of 1 assignment used, quality = 0.91: * H LYS 58 + HA ARG 56 OK 91 100 100 91 3.9-4.6 907/3.6=71, 1059/3.0=60 Violated in 1 structures by 0.00 A. Peak 4002 from cnoeabs.peaks (1.08, 3.81, 65.62 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 17 + HA THR 14 OK 100 100 100 100 2.2-3.2 4077=94, 2.1/4004=77...(11) Violated in 0 structures by 0.00 A. Peak 4003 from cnoeabs.peaks (0.80, 3.81, 65.62 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 17 + HA THR 14 OK 97 97 100 100 4.1-4.3 2.1/3668=91, 4075=88...(12) Violated in 0 structures by 0.00 A. Peak 4004 from cnoeabs.peaks (0.69, 3.81, 65.62 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.99: QD1 ILE 17 + HA THR 14 OK 99 99 100 100 1.9-2.2 4081=97, 2.1/4002=62...(11) QD1 LEU 41 - HA THR 14 far 0 71 0 - 7.1-8.1 HB2 LEU 19 - HA THR 14 far 0 92 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 4005 from cnoeabs.peaks (1.36, 3.81, 65.62 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.85: HG13 ILE 17 + HA THR 14 OK 85 85 100 100 3.7-4.3 2.1/4004=87, 1.8/4002=87...(11) Violated in 0 structures by 0.00 A. Peak 4006 from cnoeabs.peaks (2.51, 4.04, 68.52 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.82: HB2 GLN 15 + HB THR 14 OK 82 100 100 83 4.2-4.5 508/3358=73, 4001/504=34 HG3 GLN 15 - HB THR 14 far 0 76 0 - 6.7-7.0 HG3 MET 11 - HB THR 14 far 0 73 0 - 9.1-10.8 HG3 MET 11 - HB THR 46 far 0 31 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 4007 from cnoeabs.peaks (0.80, 4.04, 68.52 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.50: QD1 ILE 50 + HB THR 46 OK 50 51 100 99 3.5-5.0 4538/2.1=83, ~4537=76...(4) QG2 ILE 17 - HB THR 14 far 0 100 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 4009 from cnoeabs.peaks (2.28, 1.21, 21.82 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.98: HG2 GLU 18 + QG2 THR 14 OK 98 100 100 98 3.3-4.2 4090=81, 1.8/4010=77...(4) HG2 GLN 15 - QG2 THR 14 far 0 81 0 - 5.4-6.5 Violated in 3 structures by 0.00 A. Peak 4010 from cnoeabs.peaks (2.40, 1.21, 21.82 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.95: HG3 GLU 18 + QG2 THR 14 OK 95 97 100 98 3.1-4.2 1.8/4009=76, 4092=68...(6) HG3 GLU 20 - QG2 THR 14 far 0 68 0 - 7.5-8.3 HG2 MET 11 - QG2 THR 14 far 0 97 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 4011 from cnoeabs.peaks (0.71, 1.21, 21.82 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.95: QD1 ILE 17 + QG2 THR 14 OK 95 96 100 100 2.3-3.0 4079=62, 4081/1141=54...(13) QD1 LEU 41 - QG2 THR 14 far 0 99 0 - 5.8-6.5 HB2 LEU 19 - QG2 THR 14 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 4013 from cnoeabs.peaks (9.37, 2.50, 28.07 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.93: H SER 12 + HB2 GLN 15 OK 93 93 100 100 2.7-4.0 4014/1.8=73, 4015/3.0=55...(8) Violated in 0 structures by 0.00 A. Peak 4014 from cnoeabs.peaks (9.37, 1.63, 28.07 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: H SER 12 + HB3 GLN 15 OK 100 100 100 100 2.0-2.9 4739=95, 4013/1.8=77...(9) Violated in 0 structures by 0.00 A. Peak 4015 from cnoeabs.peaks (9.37, 2.48, 35.21 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.99: H SER 12 + HG3 GLN 15 OK 99 100 100 100 3.4-4.4 4014/3.0=71, 8/4822=70...(8) Violated in 0 structures by 0.00 A. Peak 4019 from cnoeabs.peaks (0.74, 3.79, 59.35 ppm; 3.95 A increased from 3.51 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 41 + HA GLN 15 OK 98 98 100 100 3.2-4.0 4446=96, 2.1/4454=57...(11) QD1 LEU 41 + HA GLN 15 OK 71 81 90 98 3.4-4.5 2.1/4446=70, 4454=48...(11) Violated in 0 structures by 0.00 A. Peak 4020 from cnoeabs.peaks (1.02, 2.50, 28.07 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 16 + HB2 GLN 15 OK 99 100 100 100 4.5-4.8 4067/3.0=83, 517/3361=79...(4) QG1 VAL 16 - HB2 GLN 15 far 0 92 0 - 6.6-6.8 QG1 VAL 48 - HB2 GLN 15 far 0 81 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 4021 from cnoeabs.peaks (0.65, 2.50, 28.07 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 43 + HB2 GLN 15 OK 99 100 100 99 4.3-5.0 4023/1.8=71, 4030/3.0=61...(6) Violated in 0 structures by 0.00 A. Peak 4022 from cnoeabs.peaks (1.98, 2.50, 28.07 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.96: HB2 MET 11 + HB2 GLN 15 OK 96 96 100 100 3.3-4.3 4711/1.8=79, ~4714=52...(10) HB2 GLU 18 - HB2 GLN 15 far 0 97 0 - 5.3-6.0 HB3 GLU 18 - HB2 GLN 15 far 0 97 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 4023 from cnoeabs.peaks (0.66, 1.63, 28.07 ppm; 5.05 A increased from 4.75 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 43 + HB3 GLN 15 OK 98 99 100 100 4.2-5.0 4026/3.0=74, 4021/1.8=71...(8) Violated in 0 structures by 0.00 A. Peak 4024 from cnoeabs.peaks (1.44, 2.30, 35.21 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.97: HB3 LEU 41 + HG2 GLN 15 OK 97 97 100 100 2.0-3.7 4444=86, 4028/1.8=71...(17) Violated in 0 structures by 0.00 A. Peak 4025 from cnoeabs.peaks (0.73, 2.30, 35.21 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.98: QD1 LEU 41 + HG2 GLN 15 OK 87 92 95 99 2.2-4.0 3.1/4024=49, 4029/1.8=48...(17) QD2 LEU 41 + HG2 GLN 15 OK 82 92 90 99 3.1-4.9 3.1/4024=49, 3.1/4442=42...(17) HB2 LEU 19 - HG2 GLN 15 far 0 71 0 - 5.6-6.9 Violated in 1 structures by 0.00 A. Peak 4026 from cnoeabs.peaks (0.67, 2.30, 35.21 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 43 + HG2 GLN 15 OK 96 96 100 100 2.4-3.2 4819/4444=63...(15) Violated in 0 structures by 0.00 A. Peak 4027 from cnoeabs.peaks (0.72, 1.63, 28.07 ppm; 5.48 A increased from 4.87 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 41 + HB3 GLN 15 OK 100 100 100 100 4.6-5.3 4454/2.9=85, ~4446=67...(15) QD2 LEU 41 - HB3 GLN 15 far 3 63 5 - 5.2-6.1 QD1 ILE 17 - HB3 GLN 15 far 0 81 0 - 6.4-6.8 HB2 LEU 19 - HB3 GLN 15 far 0 96 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 4028 from cnoeabs.peaks (1.44, 2.48, 35.21 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.97: HB3 LEU 41 + HG3 GLN 15 OK 97 97 100 100 3.2-4.4 4024/1.8=82, 4443=74...(20) Violated in 1 structures by 0.00 A. Peak 4029 from cnoeabs.peaks (0.75, 2.48, 35.21 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.63: QD1 LEU 41 + HG3 GLN 15 OK 63 63 100 100 2.8-3.9 3.1/4028=64, ~4024=46...(19) QD2 LEU 41 - HG3 GLN 15 far 10 100 10 - 3.8-5.4 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (0.66, 2.48, 35.21 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG3 GLN 15 OK 100 100 100 100 2.2-3.2 4026/1.8=89, 4040/3.5=73...(16) Violated in 0 structures by 0.00 A. Peak 4042 from cnoeabs.peaks (7.54, 3.23, 67.30 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.93: H GLU 18 + HA VAL 16 OK 93 93 100 100 4.3-4.6 938=90, 869/3.6=82...(6) QE PHE 52 - HA VAL 16 far 0 98 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 4043 from cnoeabs.peaks (7.24, 1.03, 21.88 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: HZ2 TRP 51 + QG1 VAL 16 OK 99 99 100 100 2.0-2.9 4690=96, 2.8/4048=61...(16) Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (7.14, 1.03, 21.88 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: HD1 TRP 51 + QG1 VAL 16 OK 100 100 100 100 3.9-4.6 2.6/4048=84, 4046/2.1=82...(11) HD2 HIS 13 - QG1 VAL 16 far 0 81 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (7.26, 1.01, 23.28 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.96: HZ2 TRP 51 + QG2 VAL 16 OK 96 96 100 100 4.1-4.9 4690/2.1=92, 2.8/4047=78...(10) HZ2 TRP 51 - QG1 VAL 48 far 0 45 0 - 7.1-7.9 HD21 ASN 40 - QG1 VAL 48 far 0 26 0 - 7.7-8.4 Violated in 1 structures by 0.00 A. Peak 4046 from cnoeabs.peaks (7.14, 1.01, 23.28 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: HD1 TRP 51 + QG2 VAL 16 OK 100 100 100 100 3.7-4.3 2.6/4047=76, 4044/2.1=69...(9) HD2 HIS 13 - QG2 VAL 16 far 0 90 0 - 5.5-6.3 HD1 TRP 51 - QG1 VAL 48 far 0 50 0 - 6.0-6.8 QD TYR 28 - QG1 VAL 48 far 0 47 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 4047 from cnoeabs.peaks (9.95, 1.01, 23.28 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: HE1 TRP 51 + QG2 VAL 16 OK 100 100 100 100 2.5-3.3 4048/2.1=72, 2.6/4046=61...(13) HE1 TRP 51 - QG1 VAL 48 far 0 51 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 4048 from cnoeabs.peaks (9.96, 1.03, 21.88 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.97: HE1 TRP 51 + QG1 VAL 16 OK 97 97 100 100 1.9-2.3 2.8/4690=79, 4047/2.1=68...(14) Violated in 0 structures by 0.00 A. Peak 4050 from cnoeabs.peaks (4.37, 1.01, 23.28 ppm; 4.00 A): 1 out of 7 assignments used, quality = 1.00: HA HIS 13 + QG2 VAL 16 OK 100 100 100 100 2.7-3.4 4744=99, 3662/2.1=77...(6) HB2 SER 12 - QG2 VAL 16 far 0 100 0 - 4.3-5.7 HA LYS 22 - QG1 VAL 48 far 0 35 0 - 7.6-8.3 HA PRO 32 - QG1 VAL 48 far 0 48 0 - 8.6-9.2 HA ASN 40 - QG1 VAL 48 far 0 51 0 - 8.7-9.2 HA ASN 54 - QG2 VAL 16 far 0 89 0 - 9.4-10.6 HA ASN 54 - QG1 VAL 48 far 0 40 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 4051 from cnoeabs.peaks (3.67, 1.03, 21.88 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.96: HA ILE 17 + QG1 VAL 16 OK 96 97 100 100 3.3-3.7 3.0/31=76, 950/4120=49...(9) Violated in 0 structures by 0.00 A. Peak 4052 from cnoeabs.peaks (4.38, 1.03, 21.88 ppm; 4.99 A increased from 4.69 A): 1 out of 5 assignments used, quality = 1.00: HA HIS 13 + QG1 VAL 16 OK 100 100 100 100 4.6-4.8 4744/2.1=98, 3662/2.1=97...(4) HB2 SER 12 - QG1 VAL 16 far 0 100 0 - 6.5-8.0 HA ASN 54 - QG1 VAL 16 far 0 81 0 - 9.1-9.9 HA LYS 22 - QG1 VAL 16 far 0 71 0 - 9.2-9.9 HA LEU 68 - QG1 VAL 16 far 0 95 0 - 9.5-30.3 Violated in 0 structures by 0.00 A. Peak 4057 from cnoeabs.peaks (1.23, 3.23, 67.30 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 19 + HA VAL 16 OK 99 99 100 100 3.4-4.1 2.1/4769=97, 4112=94...(12) QG2 THR 14 - HA VAL 16 far 0 71 0 - 6.5-7.0 HB2 LEU 43 - HA VAL 16 far 0 99 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 4058 from cnoeabs.peaks (2.41, 1.03, 21.88 ppm; 3.90 A): 1 out of 5 assignments used, quality = 0.93: HG3 GLU 20 + QG1 VAL 16 OK 93 96 100 98 2.0-3.1 4764=75, 544/4120=42...(8) HD2 ARG 55 - QG1 VAL 16 far 0 100 0 - 5.1-5.7 HG2 MET 11 - QG1 VAL 16 far 0 71 0 - 5.5-7.0 HG3 GLU 18 - QG1 VAL 16 far 0 100 0 - 6.6-7.7 HG3 GLN 47 - QG1 VAL 16 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4059 from cnoeabs.peaks (2.45, 1.03, 21.88 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.97: HG2 GLU 20 + QG1 VAL 16 OK 94 96 100 98 2.6-3.7 1.8/4764=64...(7) HG3 GLU 20 + QG1 VAL 16 OK 53 63 100 84 2.0-3.1 3.0/4521=34, 1.8/4124=32...(6) HB2 ASN 54 - QG1 VAL 16 far 0 73 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 4060 from cnoeabs.peaks (1.96, 1.03, 21.88 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.85: HD3 ARG 55 + QG1 VAL 16 OK 85 95 100 90 3.7-4.3 4619/4048=47...(5) HB3 GLU 67 - QG1 VAL 16 far 0 100 0 - 6.7-30.8 HB2 ARG 21 - QG1 VAL 16 far 0 99 0 - 7.5-8.1 HB3 ARG 21 - QG1 VAL 16 far 0 97 0 - 8.6-9.2 HB ILE 50 - QG1 VAL 16 far 0 78 0 - 8.9-9.8 HD3 LYS 22 - QG1 VAL 16 far 0 100 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 4061 from cnoeabs.peaks (1.82, 1.03, 21.88 ppm; 5.08 A increased from 4.78 A): 1 out of 5 assignments used, quality = 0.92: HB3 MET 11 + QG1 VAL 16 OK 92 97 95 100 4.4-5.6 4065/2.1=95, ~4712=78...(6) HB ILE 17 - QG1 VAL 16 far 0 93 0 - 5.2-5.5 HD2 LYS 22 - QG1 VAL 16 far 0 100 0 - 8.2-11.1 HB3 GLN 47 - QG1 VAL 16 far 0 100 0 - 8.2-9.6 HB2 LYS 58 - QG1 VAL 16 far 0 78 0 - 8.4-9.4 Violated in 2 structures by 0.03 A. Peak 4063 from cnoeabs.peaks (0.69, 1.03, 21.88 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.82: HB2 LEU 19 + QG1 VAL 16 OK 82 83 100 100 3.0-3.6 4694/4690=51...(15) QD1 ILE 17 - QG1 VAL 16 far 0 97 0 - 5.0-5.5 Violated in 0 structures by 0.00 A. Peak 4064 from cnoeabs.peaks (1.96, 1.01, 23.28 ppm; 3.58 A): 0 out of 10 assignments used, quality = 0.00: HD3 ARG 55 - QG2 VAL 16 far 0 98 0 - 4.4-5.5 HB2 ARG 34 - QG1 VAL 48 far 0 31 0 - 4.6-5.2 HB ILE 50 - QG1 VAL 48 far 0 28 0 - 6.1-6.6 HD3 LYS 22 - QG1 VAL 48 far 0 51 0 - 6.3-8.2 HD3 ARG 55 - QG1 VAL 48 far 0 48 0 - 6.8-8.0 HB ILE 50 - QG2 VAL 16 far 0 68 0 - 8.3-9.3 HB2 ARG 21 - QG1 VAL 48 far 0 50 0 - 8.5-9.2 HB3 GLU 67 - QG2 VAL 16 far 0 100 0 - 8.5-32.8 HB2 ARG 21 - QG2 VAL 16 far 0 100 0 - 9.1-9.7 HB3 ARG 21 - QG1 VAL 48 far 0 49 0 - 9.6-10.3 Violated in 20 structures by 0.68 A. Peak 4065 from cnoeabs.peaks (1.83, 1.01, 23.28 ppm; 3.55 A): 1 out of 10 assignments used, quality = 1.00: HB3 MET 11 + QG2 VAL 16 OK 100 100 100 100 2.3-3.2 4715=92, 1.8/4712=70...(7) HB3 ARG 34 - QG1 VAL 48 far 0 28 0 - 3.9-4.4 HB3 GLN 47 - QG1 VAL 48 far 0 49 0 - 5.5-5.9 HB ILE 17 - QG2 VAL 16 far 0 100 0 - 5.9-6.2 HD2 LYS 22 - QG1 VAL 48 far 0 43 0 - 6.4-7.9 HB3 GLN 47 - QG2 VAL 16 far 0 99 0 - 7.0-8.4 HB3 MET 11 - QG1 VAL 48 far 0 51 0 - 7.7-9.3 HG2 ARG 21 - QG2 VAL 16 far 0 68 0 - 8.5-10.3 HG2 ARG 21 - QG1 VAL 48 far 0 28 0 - 9.5-11.0 HD2 LYS 22 - QG2 VAL 16 far 0 93 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 4066 from cnoeabs.peaks (2.38, 1.01, 23.28 ppm; 4.86 A): 1 out of 12 assignments used, quality = 0.99: HG2 MET 11 + QG2 VAL 16 OK 99 99 100 100 3.8-4.9 4718=95, 3.0/4065=87...(5) HB3 LYS 22 - QG1 VAL 48 far 0 51 0 - 5.4-5.9 HG2 GLU 45 - QG1 VAL 48 far 0 39 0 - 5.5-6.5 HD2 ARG 55 - QG2 VAL 16 far 0 65 0 - 5.8-6.6 HG3 GLU 18 - QG2 VAL 16 far 0 65 0 - 6.3-8.0 HG2 MET 11 - QG1 VAL 48 far 0 49 0 - 6.4-8.1 HG3 GLN 47 - QG1 VAL 48 far 0 32 0 - 7.1-7.6 HD2 ARG 55 - QG1 VAL 48 far 0 27 0 - 7.3-8.7 HG3 GLN 53 - QG1 VAL 48 far 0 45 0 - 7.4-9.7 HG3 GLN 47 - QG2 VAL 16 far 0 76 0 - 8.6-10.0 HG3 GLU 18 - QG1 VAL 48 far 0 27 0 - 8.7-9.8 HB3 LYS 22 - QG2 VAL 16 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 4067 from cnoeabs.peaks (2.49, 1.01, 23.28 ppm; 4.17 A): 1 out of 10 assignments used, quality = 0.96: HG3 GLN 15 + QG2 VAL 16 OK 96 99 100 97 3.3-4.2 3364/517=59...(5) HG3 MET 11 - QG2 VAL 16 far 10 99 10 - 3.6-5.0 HB2 GLN 15 - QG2 VAL 16 far 0 95 0 - 4.5-4.8 HG2 GLU 20 - QG2 VAL 16 far 0 63 0 - 5.1-6.2 HG3 GLN 15 - QG1 VAL 48 far 0 49 0 - 6.6-7.5 HG3 MET 11 - QG1 VAL 48 far 0 49 0 - 6.6-8.9 HB2 ASN 54 - QG2 VAL 16 far 0 90 0 - 7.5-8.7 HG2 GLU 20 - QG1 VAL 48 far 0 26 0 - 8.1-9.1 HB2 GLN 15 - QG1 VAL 48 far 0 44 0 - 8.7-9.8 HB2 ASN 54 - QG1 VAL 48 far 0 41 0 - 9.3-9.9 Violated in 1 structures by 0.00 A. Peak 4068 from cnoeabs.peaks (2.41, 3.69, 64.32 ppm; 4.77 A): 1 out of 4 assignments used, quality = 0.90: HG3 GLU 20 + HA ILE 17 OK 90 90 100 100 2.1-3.4 3.0/3689=83, 1.8/4121=74...(10) HG3 GLU 18 - HA ILE 17 far 0 100 0 - 5.4-6.0 HB3 LYS 22 - HA ILE 17 far 0 65 0 - 8.6-9.7 HG2 MET 11 - HA ILE 17 far 0 81 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 4069 from cnoeabs.peaks (2.41, 1.84, 37.27 ppm; 4.98 A): 1 out of 3 assignments used, quality = 0.97: HG3 GLU 18 + HB ILE 17 OK 97 99 100 98 3.2-4.1 531/34=79, 4073/2.1=58...(8) HG3 GLU 20 - HB ILE 17 far 0 97 0 - 5.2-6.2 HG2 MET 11 - HB ILE 17 far 0 65 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 4070 from cnoeabs.peaks (1.21, 1.84, 37.27 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 14 + HB ILE 17 OK 100 100 100 100 3.1-3.4 1141/3668=93...(12) Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (1.22, 0.81, 17.21 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.95: QG2 THR 14 + QG2 ILE 17 OK 95 96 100 99 3.8-4.0 4011/3.3=55, 3.2/4075=51...(13) HG LEU 19 - QG2 ILE 17 far 0 81 0 - 6.7-7.3 Violated in 1 structures by 0.00 A. Peak 4072 from cnoeabs.peaks (1.98, 0.81, 17.21 ppm; 4.98 A increased from 4.19 A): 2 out of 7 assignments used, quality = 0.98: HB2 ARG 21 + QG2 ILE 17 OK 97 97 100 100 4.2-4.8 4809=96, 1368/4806=74...(7) HB2 GLU 18 + QG2 ILE 17 OK 34 85 40 99 5.0-5.3 3.0/4076=81, 3.9/35=70...(7) HB3 ARG 21 - QG2 ILE 17 far 5 99 5 - 5.0-5.8 HB3 GLU 18 - QG2 ILE 17 far 0 85 0 - 5.2-5.6 HD3 LYS 22 - QG2 ILE 17 far 0 90 0 - 7.5-9.8 HB2 MET 11 - QG2 ILE 17 far 0 83 0 - 8.7-9.5 HD3 ARG 55 - QG2 ILE 17 far 0 100 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 4073 from cnoeabs.peaks (2.41, 0.81, 17.21 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLU 18 + QG2 ILE 17 OK 98 100 100 98 3.6-4.5 531/35=61, 4069/2.1=60...(8) HG3 GLU 20 + QG2 ILE 17 OK 51 96 55 96 3.7-5.0 4068/3.2=54, 57/4135=40...(8) HG2 MET 11 - QG2 ILE 17 far 0 71 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 4074 from cnoeabs.peaks (3.22, 0.81, 17.21 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.94: HD3 ARG 21 + QG2 ILE 17 OK 90 96 95 100 2.3-4.5 4137=76, 1.8/4136=65...(7) HD2 ARG 21 + QG2 ILE 17 OK 35 78 45 99 3.4-4.6 1.8/4137=69, 2.9/4806=54...(7) HA VAL 16 - QG2 ILE 17 far 0 100 0 - 6.1-6.1 HB2 HIS 13 - QG2 ILE 17 far 0 97 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4075 from cnoeabs.peaks (3.80, 0.81, 17.21 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.95: HA THR 14 + QG2 ILE 17 OK 95 95 100 100 4.1-4.3 4003=87, 3667/2.1=82...(12) HA GLN 15 - QG2 ILE 17 far 0 99 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 4076 from cnoeabs.peaks (4.19, 0.81, 17.21 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 18 + QG2 ILE 17 OK 100 100 100 100 3.3-3.7 4087=83, 3.0/35=62...(17) Violated in 0 structures by 0.00 A. Peak 4077 from cnoeabs.peaks (3.81, 1.08, 28.44 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: HA THR 14 + HG12 ILE 17 OK 100 100 100 100 2.2-3.2 4002=100, 4004/2.1=79...(11) HA GLN 15 - HG12 ILE 17 far 0 83 0 - 5.2-6.2 Violated in 0 structures by 0.00 A. Peak 4078 from cnoeabs.peaks (3.80, 1.38, 28.44 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.95: HA THR 14 + HG13 ILE 17 OK 95 95 100 100 3.7-4.3 4004/2.1=79, 4002/1.8=78...(11) HA GLN 15 - HG13 ILE 17 far 0 99 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 4079 from cnoeabs.peaks (1.21, 0.70, 12.32 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 14 + QD1 ILE 17 OK 100 100 100 100 2.3-3.0 4011=93, 1141/4081=73...(13) Violated in 0 structures by 0.00 A. Peak 4080 from cnoeabs.peaks (3.23, 0.70, 12.32 ppm; 4.93 A): 1 out of 5 assignments used, quality = 0.58: HB2 HIS 13 + QD1 ILE 17 OK 58 87 100 67 4.3-4.9 4.0/4624=66 HD3 ARG 21 - QD1 ILE 17 far 0 100 0 - 5.2-7.1 HA VAL 16 - QD1 ILE 17 far 0 100 0 - 6.2-6.5 HD2 ARG 21 - QD1 ILE 17 far 0 57 0 - 6.2-7.4 HB2 HIS 10 - QD1 ILE 17 far 0 60 0 - 8.8-13.4 Violated in 1 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (3.81, 0.70, 12.32 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: HA THR 14 + QD1 ILE 17 OK 100 100 100 100 1.9-2.2 4004=99, 4002/2.1=63...(11) HA GLN 15 - QD1 ILE 17 far 0 83 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 4082 from cnoeabs.peaks (7.12, 0.70, 12.32 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 13 + QD1 ILE 17 OK 100 100 100 100 2.0-2.6 4624=97, 4621/2.1=77...(5) HD1 TRP 51 - QD1 ILE 17 far 0 81 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4083 from cnoeabs.peaks (7.83, 0.70, 12.32 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.94: H VAL 16 + QD1 ILE 17 OK 94 99 100 95 4.8-5.2 868/525=84, 4055/3.2=33...(5) Violated in 0 structures by 0.00 A. Peak 4085 from cnoeabs.peaks (1.86, 4.19, 58.41 ppm; 4.44 A increased from 4.18 A): 2 out of 4 assignments used, quality = 0.98: HG2 ARG 21 + HA GLU 18 OK 90 100 90 100 2.7-4.7 4138=83, 1368/3696=81...(7) HB ILE 17 + HA GLU 18 OK 76 76 100 100 4.1-4.2 2.1/4087=82, 34/3.0=58...(11) HG LEU 41 - HA GLU 18 far 0 99 0 - 6.7-7.2 HB3 MET 11 - HA GLU 18 far 0 68 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 4087 from cnoeabs.peaks (0.79, 4.19, 58.41 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 17 + HA GLU 18 OK 89 89 100 100 3.3-3.7 4076=79, 35/3.0=53...(17) Violated in 0 structures by 0.00 A. Peak 4088 from cnoeabs.peaks (0.73, 4.19, 58.41 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.89: QD2 LEU 41 + HA GLU 18 OK 84 87 100 97 4.0-4.5 4449/3.9=47, 4437/3.0=47...(9) QD1 LEU 41 + HA GLU 18 OK 32 96 35 96 4.3-5.0 4438/3.6=50, ~4437=38...(8) HB2 LEU 19 - HA GLU 18 far 0 78 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 4089 from cnoeabs.peaks (0.74, 2.00, 29.57 ppm; 3.20 A): 4 out of 4 assignments used, quality = 1.00: QD2 LEU 41 + HB2 GLU 18 OK 95 98 100 97 2.1-2.9 4451=38, 4093/3.0=38...(13) QD2 LEU 41 + HB3 GLU 18 OK 94 98 100 96 1.9-2.4 4093/3.0=38, 4451=37...(12) QD1 LEU 41 + HB2 GLU 18 OK 75 81 100 93 2.0-2.8 2.1/4451=25, ~4093=21...(16) QD1 LEU 41 + HB3 GLU 18 OK 74 81 100 92 2.2-3.2 2.1/4451=25, ~4093=21...(15) Violated in 0 structures by 0.00 A. Peak 4090 from cnoeabs.peaks (1.20, 2.28, 35.25 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 14 + HG2 GLU 18 OK 97 97 100 100 3.3-4.2 4009=96, 4010/1.8=81...(4) HB2 LEU 43 - HG2 GLU 18 far 0 63 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 4091 from cnoeabs.peaks (0.73, 2.28, 35.25 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.95: QD2 LEU 41 + HG2 GLU 18 OK 85 87 100 98 2.0-3.0 4450=62, 4449/1.8=53...(11) QD1 LEU 41 + HG2 GLU 18 OK 66 96 70 98 3.2-4.2 2.1/4450=57, ~4093=43...(13) HB2 LEU 19 - HG2 GLU 18 far 0 78 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 4092 from cnoeabs.peaks (1.20, 2.41, 35.25 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.97: QG2 THR 14 + HG3 GLU 18 OK 97 97 100 100 3.1-4.2 4010=92, 4009/1.8=84...(6) HB2 LEU 43 - HG3 GLN 47 far 0 30 0 - 5.4-6.9 QG2 THR 14 - HG3 GLU 20 far 0 62 0 - 7.5-8.3 HB2 LEU 43 - HG3 GLU 18 far 0 63 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 4093 from cnoeabs.peaks (0.75, 2.41, 35.25 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 41 + HG3 GLU 18 OK 100 100 100 100 3.2-3.9 4449=86, 4450/1.8=66...(11) QD2 LEU 41 - HG3 GLU 20 far 0 66 0 - 8.0-8.8 QD2 LEU 41 - HG3 GLN 47 far 0 60 0 - 9.9-10.9 Violated in 1 structures by 0.00 A. Peak 4094 from cnoeabs.peaks (1.21, 2.00, 29.57 ppm; 5.35 A increased from 4.51 A): 1 out of 5 assignments used, quality = 0.99: QG2 THR 14 + HB2 GLU 18 OK 99 100 100 99 4.6-5.4 4010/3.0=87, 4009/3.0=87...(4) QG2 THR 14 - HB3 GLU 18 far 0 100 0 - 5.6-6.2 HB2 LEU 43 - HB2 GLU 18 far 0 92 0 - 7.9-8.7 HB2 LEU 43 - HB3 GLU 18 far 0 92 0 - 8.1-9.0 HD2 LYS 27 - HB3 GLN 63 far 0 68 0 - 8.7-20.4 Violated in 1 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (3.80, 2.41, 35.25 ppm; 5.23 A): 2 out of 5 assignments used, quality = 1.00: HA GLN 15 + HG3 GLU 18 OK 99 99 100 100 2.6-5.0 3674/3.0=89, 4096/1.8=86...(6) HA THR 14 + HG3 GLU 18 OK 47 95 50 100 4.9-6.2 3.2/4010=79, 3669/531=61...(8) HA THR 14 - HG3 GLU 20 far 0 58 0 - 7.1-8.0 HA ILE 50 - HG3 GLN 47 far 0 34 0 - 7.4-9.1 HA GLN 15 - HG3 GLU 20 far 0 65 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (3.79, 2.28, 35.25 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.96: HA GLN 15 + HG2 GLU 18 OK 96 99 100 97 3.3-4.1 3674/3.0=66, 940/530=46...(7) HA THR 14 - HG2 GLU 18 far 0 68 0 - 5.3-6.7 Violated in 0 structures by 0.00 A. Peak 4097 from cnoeabs.peaks (3.22, 4.19, 58.41 ppm; 4.53 A increased from 4.02 A): 2 out of 3 assignments used, quality = 0.98: HD3 ARG 21 + HA GLU 18 OK 89 89 100 100 2.6-4.6 4139=83, 1.8/4140=73...(6) HD2 ARG 21 + HA GLU 18 OK 80 89 90 100 2.5-4.7 1.8/4139=81, 3.5/3694=73...(6) HA VAL 16 - HA GLU 18 far 0 99 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 4098 from cnoeabs.peaks (7.73, 0.53, 23.51 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 52 + QD2 LEU 19 OK 95 96 100 100 3.2-4.1 2.2/4099=89...(8) H ARG 56 - QD2 LEU 19 far 0 96 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 4099 from cnoeabs.peaks (7.53, 0.53, 23.51 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.99: QE PHE 52 + QD2 LEU 19 OK 99 100 100 99 2.0-3.2 4707=85, 2.2/4098=45...(11) H GLU 18 - QD2 LEU 19 far 0 76 0 - 5.7-6.1 H GLN 15 - QD2 LEU 19 far 0 78 0 - 7.5-8.6 H TYR 28 - QD2 LEU 19 far 0 68 0 - 9.3-10.3 HE22 GLN 53 - QD2 LEU 19 far 0 65 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 4100 from cnoeabs.peaks (7.17, 0.53, 23.51 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.94: HZ PHE 52 + QD2 LEU 19 OK 94 95 100 100 3.3-4.2 2.2/4099=95, 3.8/4098=60...(6) HD1 TRP 51 - QD2 LEU 19 far 11 73 15 - 4.4-5.7 QE PHE 23 - QD2 LEU 19 far 0 98 0 - 6.7-7.7 Violated in 0 structures by 0.00 A. Peak 4101 from cnoeabs.peaks (6.96, 0.53, 23.51 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.96: HE3 TRP 51 + QD2 LEU 19 OK 96 98 100 98 3.0-3.5 4701/4099=59...(7) HZ PHE 23 - QD2 LEU 19 far 0 93 0 - 8.5-9.7 HE21 GLN 53 - QD2 LEU 19 far 0 63 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 4102 from cnoeabs.peaks (7.53, 3.64, 58.54 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 52 + HA LEU 19 OK 99 100 100 99 3.8-4.8 4099/1281=87...(5) H GLU 18 - HA LEU 19 far 0 65 0 - 5.3-5.4 H GLN 15 - HA LEU 19 far 0 87 0 - 9.2-9.5 Violated in 3 structures by 0.00 A. Peak 4103 from cnoeabs.peaks (7.17, 3.64, 58.54 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.98: HZ PHE 52 + HA LEU 19 OK 98 98 100 100 3.8-5.0 2.2/4102=79...(7) HD1 TRP 51 - HA LEU 19 far 0 63 0 - 7.2-8.2 QE PHE 23 - HA LEU 19 far 0 100 0 - 8.0-9.0 Violated in 1 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (8.97, 3.64, 58.54 ppm; 5.99 A): 1 out of 1 assignment used, quality = 0.71: H PHE 23 + HA LEU 19 OK 71 71 100 100 4.1-4.5 4.6/3699=81, 4.3/3702=81...(6) Violated in 0 structures by 0.00 A. Peak 4106 from cnoeabs.peaks (0.93, 3.64, 58.54 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HA LEU 19 OK 93 95 100 98 2.7-3.4 4374/4.0=55...(9) QG2 VAL 48 - HA LEU 19 far 0 81 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 4107 from cnoeabs.peaks (1.71, 3.64, 58.54 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.98: HG2 LYS 22 + HA LEU 19 OK 98 98 100 100 4.1-5.2 2.9/3702=82, 2.9/3700=78...(7) HG3 LYS 22 - HA LEU 19 far 0 65 0 - 5.4-6.1 HB3 LEU 37 - HA LEU 19 far 0 65 0 - 6.3-7.0 Violated in 1 structures by 0.00 A. Peak 4108 from cnoeabs.peaks (1.01, 0.71, 37.72 ppm; 5.18 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HB2 LEU 19 OK 100 100 100 100 4.3-5.0 3.2/3679=85, 2.1/4063=69...(13) QG1 VAL 16 + HB2 LEU 19 OK 76 76 100 100 3.0-3.6 3.2/3679=85, 4105/4.0=61...(15) QG1 VAL 48 - HB2 LEU 19 far 0 95 0 - 5.4-6.1 Violated in 0 structures by 0.00 A. Peak 4109 from cnoeabs.peaks (0.65, 1.24, 25.70 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 43 + HG LEU 19 OK 97 99 100 98 3.7-4.2 4478/2.1=86, 4703/2.1=85 HB2 ARG 55 - HG LEU 19 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 4112 from cnoeabs.peaks (3.21, 1.24, 25.70 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 16 + HG LEU 19 OK 97 97 100 100 3.4-4.1 4057=93, 4769/2.1=93...(12) HD2 ARG 21 - HG LEU 19 far 0 92 0 - 7.5-9.7 HD3 ARG 21 - HG LEU 19 far 0 85 0 - 7.8-9.8 HB2 HIS 10 - HG LEU 19 far 0 93 0 - 8.4-13.8 Violated in 0 structures by 0.00 A. Peak 4113 from cnoeabs.peaks (3.76, 0.53, 23.51 ppm; 5.85 A increased from 4.93 A): 1 out of 2 assignments used, quality = 1.00: HA PHE 52 + QD2 LEU 19 OK 100 100 100 100 5.3-5.6 3.7/4098=86...(4) HA ILE 50 - QD2 LEU 19 far 0 93 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 4114 from cnoeabs.peaks (3.50, 0.53, 23.51 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: HB2 TRP 51 + QD2 LEU 19 OK 100 100 100 100 3.0-3.8 1.8/4115=80, 4750/2.1=77...(9) Violated in 0 structures by 0.00 A. Peak 4115 from cnoeabs.peaks (3.27, 0.53, 23.51 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.80: HB3 TRP 51 + QD2 LEU 19 OK 80 81 100 99 3.5-4.6 1.8/4114=79, 4.2/4101=58...(7) HB2 PHE 52 - QD2 LEU 19 far 0 100 0 - 5.3-6.7 HD3 ARG 34 - QD2 LEU 19 far 0 100 0 - 5.8-7.3 Violated in 0 structures by 0.00 A. Peak 4116 from cnoeabs.peaks (1.58, 0.53, 23.51 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.90: HG LEU 37 + QD2 LEU 19 OK 90 90 100 100 2.7-3.5 2.1/4378=89, 4381=85...(7) HB3 LEU 43 - QD2 LEU 19 far 0 65 0 - 5.2-5.9 HG3 ARG 34 - QD2 LEU 19 far 0 97 0 - 5.3-5.9 HG3 ARG 21 - QD2 LEU 19 far 0 63 0 - 7.0-9.2 HG2 LYS 49 - QD2 LEU 19 far 0 100 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 4117 from cnoeabs.peaks (0.94, 0.53, 23.51 ppm; 2.90 A): 2 out of 4 assignments used, quality = 0.94: QD2 LEU 37 + QD2 LEU 19 OK 80 87 100 92 1.9-2.8 2.1/4378=42, 4374=41...(8) QG2 VAL 48 + QD2 LEU 19 OK 69 90 90 85 2.6-3.1 2.1/4825=50...(12) QD1 LEU 37 - QD2 LEU 19 far 3 65 5 - 3.0-3.7 QG2 ILE 50 - QD2 LEU 19 far 0 78 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 4118 from cnoeabs.peaks (1.01, -0.28, 24.60 ppm; 4.52 A): 3 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + QD1 LEU 19 OK 99 99 100 100 3.0-3.6 3.2/4769=73, 4766=65...(17) QG1 VAL 48 + QD1 LEU 19 OK 98 98 100 100 3.2-4.2 4825/2.1=95, 4767/3.1=53...(10) QG1 VAL 16 + QD1 LEU 19 OK 65 65 100 100 2.9-3.6 3.2/4769=73, 2.1/4766=53...(19) Violated in 0 structures by 0.00 A. Peak 4119 from cnoeabs.peaks (3.23, -0.28, 24.60 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.97: HA VAL 16 + QD1 LEU 19 OK 97 97 100 100 1.9-2.7 4769=96, 3679/3.1=62...(14) HD3 ARG 21 - QD1 LEU 19 far 0 100 0 - 7.8-9.7 HB2 HIS 13 - QD1 LEU 19 far 0 76 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 4121 from cnoeabs.peaks (3.68, 2.46, 35.40 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.98: HA ILE 17 + HG2 GLU 20 OK 98 98 100 100 3.0-4.9 3689/3.0=82, 4068/1.8=80...(8) Violated in 0 structures by 0.00 A. Peak 4122 from cnoeabs.peaks (3.68, 2.42, 35.40 ppm; 5.17 A): 1 out of 2 assignments used, quality = 0.98: HA ILE 17 + HG3 GLU 20 OK 98 98 100 100 2.1-3.4 4121/1.8=86, 3689/3.0=86...(10) HA ILE 17 - HG3 GLU 18 far 0 62 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (1.01, 2.42, 35.40 ppm; 4.43 A): 1 out of 6 assignments used, quality = 0.78: QG1 VAL 16 + HG3 GLU 20 OK 78 78 100 99 2.0-3.1 4124/1.8=78, 4058=64...(8) QG2 VAL 16 - HG3 GLU 20 far 0 100 0 - 4.8-5.5 QG2 VAL 16 - HG3 GLU 18 far 0 66 0 - 6.3-8.0 QG1 VAL 16 - HG3 GLU 18 far 0 45 0 - 6.6-7.7 QG1 VAL 48 - HG3 GLU 20 far 0 93 0 - 8.6-9.8 QG1 VAL 48 - HG3 GLU 18 far 0 57 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (1.01, 2.46, 35.40 ppm; 4.39 A): 1 out of 3 assignments used, quality = 0.64: QG1 VAL 16 + HG2 GLU 20 OK 64 65 100 98 2.6-3.7 4123/1.8=76, 4521/3.0=50...(7) QG2 VAL 16 - HG2 GLU 20 far 0 99 0 - 5.1-6.2 QG1 VAL 48 - HG2 GLU 20 far 0 98 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 4129 from cnoeabs.peaks (7.25, 4.22, 59.07 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 51 + HA GLU 20 OK 100 100 100 100 3.1-4.1 4684=99, 2.5/4685=98...(9) Violated in 0 structures by 0.00 A. Peak 4130 from cnoeabs.peaks (7.05, 4.22, 59.07 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 23 + HA GLU 20 OK 98 98 100 100 3.9-4.6 4627=97, 2.4/3707=95...(7) Violated in 0 structures by 0.00 A. Peak 4131 from cnoeabs.peaks (6.44, 4.22, 59.07 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: HH2 TRP 51 + HA GLU 20 OK 100 100 100 100 2.0-2.3 4685=100, 2.5/4684=44...(11) Violated in 0 structures by 0.00 A. Peak 4132 from cnoeabs.peaks (7.25, 2.46, 35.40 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 51 + HG2 GLU 20 OK 100 100 100 100 2.1-2.7 4688=97, 2.5/4691=76...(10) Violated in 0 structures by 0.00 A. Peak 4133 from cnoeabs.peaks (7.25, 2.42, 35.40 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HZ2 TRP 51 + HG3 GLU 20 OK 100 100 100 100 2.6-3.9 4688/1.8=98, 2.5/4720=72...(10) HZ2 TRP 51 - HG3 GLU 18 far 0 66 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (0.80, 3.20, 43.43 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HD2 ARG 21 OK 100 100 100 100 3.4-4.6 4137/1.8=82, 4806/2.9=64...(7) Violated in 0 structures by 0.00 A. Peak 4137 from cnoeabs.peaks (0.81, 3.23, 43.43 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HD3 ARG 21 OK 100 100 100 100 2.3-4.5 4136/1.8=74, 4074=67...(7) Violated in 1 structures by 0.00 A. Peak 4138 from cnoeabs.peaks (4.19, 1.86, 27.31 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 18 + HG2 ARG 21 OK 100 100 100 100 2.7-4.7 3694/1360=87...(7) Violated in 0 structures by 0.00 A. Peak 4139 from cnoeabs.peaks (4.20, 3.23, 43.43 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.89: HA GLU 18 + HD3 ARG 21 OK 89 100 90 99 2.6-4.6 3696/3.5=69, 4140/1.8=69...(6) HA GLU 20 - HD3 ARG 21 far 0 71 0 - 5.6-8.3 Violated in 4 structures by 0.02 A. Peak 4140 from cnoeabs.peaks (4.19, 3.20, 43.43 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 18 + HD2 ARG 21 OK 100 100 100 100 2.5-4.7 4139/1.8=86, 3696/3.5=77...(6) Violated in 1 structures by 0.00 A. Peak 4141 from cnoeabs.peaks (7.17, 2.06, 30.62 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 52 + HB2 LYS 22 OK 100 100 100 100 2.9-4.4 4142/1.8=81, 4642/2.9=70...(8) QE PHE 23 - HB2 LYS 22 far 0 100 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 4142 from cnoeabs.peaks (7.18, 2.38, 30.62 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 52 + HB3 LYS 22 OK 100 100 100 100 2.1-2.9 4640=88, 4141/1.8=74...(9) QE PHE 23 - HB3 LYS 22 far 0 100 0 - 7.2-7.8 H GLU 33 - HB3 LYS 22 far 0 57 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4143 from cnoeabs.peaks (7.52, 1.71, 24.77 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.96: QE PHE 52 + HG2 LYS 22 OK 96 96 100 100 3.8-4.6 2.2/4144=94, ~4642=73...(11) H TYR 28 - HG2 LYS 22 far 0 93 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 4144 from cnoeabs.peaks (7.17, 1.71, 24.77 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 52 + HG2 LYS 22 OK 99 99 100 100 2.5-3.5 4642/1.8=77, 4142/2.9=57...(9) QE PHE 23 - HG2 LYS 22 far 0 100 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 4145 from cnoeabs.peaks (7.17, 1.68, 24.77 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.96: HZ PHE 52 + HG3 LYS 22 OK 96 96 100 100 3.5-4.1 4642=93, 4144/1.8=84...(9) QE PHE 23 - HG3 LYS 22 far 0 99 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 4146 from cnoeabs.peaks (7.30, 4.35, 57.92 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 25 + HA LYS 22 OK 100 100 100 100 2.3-4.5 4659=97, 3.9/4161=62...(4) HD21 ASN 40 - HA LYS 22 far 0 93 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 4149 from cnoeabs.peaks (0.93, 4.35, 57.92 ppm; 5.16 A increased from 4.86 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 37 + HA LYS 22 OK 97 97 100 100 4.7-5.2 4150/3.0=80, 4151/3.0=78...(10) QG2 VAL 48 - HA LYS 22 far 0 73 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (0.93, 2.06, 30.62 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 37 + HB2 LYS 22 OK 97 97 100 100 2.7-3.2 4388=79, 4151/1.8=75...(15) QG2 VAL 48 - HB2 LYS 22 far 0 73 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (0.93, 2.38, 30.62 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 37 + HB3 LYS 22 OK 97 97 100 100 2.6-3.5 4150/1.8=81, 4387=77...(16) QG2 VAL 48 - HB3 LYS 22 far 0 73 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (0.93, 1.71, 24.77 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HG2 LYS 22 OK 93 93 100 100 1.9-2.4 4154/1.8=75, 4156/3.0=59...(18) QG2 VAL 48 - HG2 LYS 22 far 0 83 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (0.46, 1.71, 24.77 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HG2 LYS 22 OK 100 100 100 100 2.0-2.9 4890=100, 4155/1.8=80...(14) Violated in 0 structures by 0.00 A. Peak 4154 from cnoeabs.peaks (0.93, 1.68, 24.77 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HG3 LYS 22 OK 93 93 100 100 3.3-3.9 4152/1.8=79, 4156/3.0=61...(15) QG2 VAL 48 - HG3 LYS 22 far 0 83 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 4155 from cnoeabs.peaks (0.46, 1.68, 24.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HG3 LYS 22 OK 100 100 100 100 2.0-2.9 4890/1.8=85, 4233=81...(12) Violated in 0 structures by 0.00 A. Peak 4156 from cnoeabs.peaks (0.93, 1.82, 27.95 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HD2 LYS 22 OK 93 93 100 100 3.0-4.3 2.1/4815=76, 4152/3.0=66...(17) QG2 VAL 48 - HD2 LYS 22 far 0 83 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (0.45, 1.82, 27.95 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 29 + HD2 LYS 22 OK 95 95 100 100 3.7-4.7 4159/1.8=87, 4778/3.0=82...(11) Violated in 0 structures by 0.00 A. Peak 4158 from cnoeabs.peaks (0.94, 1.96, 27.95 ppm; 4.85 A increased from 4.57 A): 2 out of 3 assignments used, quality = 0.94: QD2 LEU 37 + HD3 LYS 22 OK 85 85 100 100 2.4-4.8 4156/1.8=89, 4152/3.0=77...(15) QD1 LEU 37 + HD3 LYS 22 OK 61 68 90 100 2.6-5.3 ~4156=63, ~4814=54...(19) QG2 VAL 48 - HD3 LYS 22 far 0 92 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (0.45, 1.96, 27.95 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 29 + HD3 LYS 22 OK 98 98 100 100 3.3-4.3 4778/3.0=76, 4890/3.0=72...(10) Violated in 0 structures by 0.00 A. Peak 4160 from cnoeabs.peaks (1.59, 1.96, 27.95 ppm; 4.34 A): 0 out of 3 assignments used, quality = 0.00: HG LEU 37 - HD3 LYS 22 far 0 68 0 - 4.9-7.8 HG3 ARG 21 - HD3 LYS 22 far 0 87 0 - 5.9-8.3 HG3 ARG 34 - HD3 LYS 22 far 0 100 0 - 8.6-10.5 Violated in 20 structures by 1.99 A. Peak 4161 from cnoeabs.peaks (3.32, 4.35, 57.92 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.93: HB3 HIS 25 + HA LYS 22 OK 93 95 100 99 3.0-4.6 4181=80, 1.8/4180=71...(4) Violated in 0 structures by 0.00 A. Peak 4162 from cnoeabs.peaks (2.19, 7.18, 130.60 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.86: HG2 ARG 56 + QE PHE 23 OK 86 86 100 100 2.7-3.6 1.8/4646=89, ~4649=78...(12) HB2 GLU 20 - QE PHE 23 far 0 68 0 - 6.8-7.9 HB VAL 48 - QE PHE 23 far 0 68 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (1.44, 7.18, 130.60 ppm; 4.96 A): 2 out of 8 assignments used, quality = 0.96: HG3 ARG 56 + QE PHE 23 OK 90 90 100 100 2.0-3.2 4649/2.2=93, 1.8/4643=89...(10) HB2 LYS 27 + QE PHE 23 OK 59 59 100 100 2.8-4.1 3.0/4639=77, 3.8/4209=56...(12) HG3 LYS 58 - QE PHE 23 far 0 89 0 - 6.3-9.6 HG2 LYS 60 - QE PHE 23 far 0 77 0 - 6.5-11.2 HB3 LEU 29 - QE PHE 23 far 0 79 0 - 7.6-9.1 HG3 LYS 62 - QE PHE 23 far 0 88 0 - 7.9-15.8 HG3 LYS 60 - QE PHE 23 far 0 79 0 - 7.9-11.5 HG2 LYS 62 - QE PHE 23 far 0 88 0 - 8.1-15.3 Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (3.91, 7.18, 130.60 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.92: HA LYS 27 + QE PHE 23 OK 92 92 100 100 2.4-3.8 4202/2.2=96, 4203/2.2=85...(14) HA GLN 53 - QE PHE 23 far 2 49 5 - 5.3-6.1 HB2 SER 65 - QE PHE 23 far 0 66 0 - 9.1-19.9 Violated in 0 structures by 0.00 A. Peak 4165 from cnoeabs.peaks (5.71, 3.15, 39.32 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: HZ3 TRP 51 + HB2 PHE 23 OK 99 99 100 100 2.0-2.4 2.4/4721=75, 4167/1.8=74...(8) Violated in 0 structures by 0.00 A. Peak 4166 from cnoeabs.peaks (6.44, 3.15, 39.32 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 51 + HB2 PHE 23 OK 99 99 100 100 2.0-3.1 4686/1.8=94, 4721=89...(8) Violated in 0 structures by 0.00 A. Peak 4167 from cnoeabs.peaks (5.73, 3.08, 39.32 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.99: HZ3 TRP 51 + HB3 PHE 23 OK 99 99 100 100 3.4-4.0 2.4/4686=72, 4637/2.4=72...(9) Violated in 0 structures by 0.00 A. Peak 4168 from cnoeabs.peaks (6.46, 3.08, 39.32 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.96: HH2 TRP 51 + HB3 PHE 23 OK 96 96 100 100 2.7-3.5 4686=93, 4721/1.8=87...(7) Violated in 0 structures by 0.00 A. Peak 4169 from cnoeabs.peaks (6.95, 7.18, 130.60 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.93: * HZ PHE 23 + QE PHE 23 OK 93 93 100 100 2.2-2.2 2.2=100 HE3 TRP 51 - QE PHE 23 far 0 71 0 - 4.4-5.9 HE21 GLN 53 - QE PHE 23 far 0 80 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 4170 from cnoeabs.peaks (6.95, 6.95, 128.97 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HZ PHE 23 + HZ PHE 23 OK 97 97 - 100 Peak 4171 from cnoeabs.peaks (7.05, 6.95, 128.97 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 23 + HZ PHE 23 OK 95 95 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 4172 from cnoeabs.peaks (7.17, 6.95, 128.97 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.97: QE PHE 23 + HZ PHE 23 OK 97 97 100 100 2.2-2.2 2.2=100 HZ PHE 52 - HZ PHE 23 far 0 95 0 - 8.0-9.0 QD TYR 57 - HZ PHE 23 far 0 63 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (4.08, 6.95, 128.97 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.96: HA ARG 56 + HZ PHE 23 OK 96 96 100 100 2.1-3.4 4674=99, 4673/2.2=76...(10) HA SER 24 - HZ PHE 23 far 0 95 0 - 6.4-7.6 HA LYS 58 - HZ PHE 23 far 0 70 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (1.43, 6.95, 128.97 ppm; 4.93 A): 2 out of 7 assignments used, quality = 0.97: HB2 LYS 27 + HZ PHE 23 OK 89 89 100 100 3.7-4.6 3.0/4203=67, 4205=64...(11) HG3 ARG 56 + HZ PHE 23 OK 72 72 100 100 2.0-3.5 1.8/4648=82, 3.8/4674=75...(10) HG3 LYS 58 - HZ PHE 23 far 0 70 0 - 6.6-10.1 HG2 LYS 60 - HZ PHE 23 far 0 96 0 - 7.3-12.6 HG3 LYS 62 - HZ PHE 23 far 0 97 0 - 7.4-16.7 HG2 LYS 62 - HZ PHE 23 far 0 97 0 - 7.8-16.5 HG3 LYS 60 - HZ PHE 23 far 0 96 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.31, 6.95, 128.97 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.94: QG2 THR 59 + HZ PHE 23 OK 86 90 100 95 3.0-4.5 4841/4674=67, 4504=64 HD3 LYS 27 + HZ PHE 23 OK 57 57 100 100 2.5-3.9 1.8/4657=82, 4652/2.2=75...(13) Violated in 0 structures by 0.00 A. Peak 4177 from cnoeabs.peaks (7.74, 7.18, 130.60 ppm; 5.18 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 52 + QE PHE 23 OK 93 93 100 100 2.6-3.4 4631/2.2=91, ~4630=76...(10) H ARG 56 + QE PHE 23 OK 93 93 100 100 3.5-4.4 4672=87, 3.0/4638=75...(13) H THR 59 - QE PHE 23 far 4 73 5 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 4178 from cnoeabs.peaks (7.06, 4.08, 61.10 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 23 + HA SER 24 OK 100 100 100 100 2.9-4.2 4628=100, 4632/3.0=73...(6) Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (4.34, 3.37, 31.20 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 22 + HB2 HIS 25 OK 97 99 100 98 2.8-4.9 4161/1.8=86, 4179/3.9=61 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (4.34, 3.31, 31.20 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 22 + HB3 HIS 25 OK 99 99 100 100 3.0-4.6 4161=91, 4180/1.8=77...(4) Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (2.27, 3.31, 31.20 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.96: HG2 GLN 26 + HB3 HIS 25 OK 90 90 100 100 2.9-5.1 4184/1.8=90, 4.9/89=65...(7) HG3 GLN 26 + HB3 HIS 25 OK 57 89 65 99 4.6-6.8 ~4184=71, 4.9/89=65...(7) Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (2.00, 3.31, 31.20 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.78: HB3 GLN 26 + HB3 HIS 25 OK 71 71 100 100 3.4-5.2 4185/1.8=85, 3.9/89=77...(7) HB2 GLN 26 + HB3 HIS 25 OK 25 71 35 100 5.1-6.8 3.9/89=77, ~4185=68...(7) HB3 ARG 21 - HB3 HIS 25 far 0 63 0 - 5.7-8.1 Violated in 0 structures by 0.00 A. Peak 4184 from cnoeabs.peaks (2.28, 3.37, 31.20 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.95: HG2 GLN 26 + HB2 HIS 25 OK 95 97 100 98 3.1-4.2 3.0/4185=65, 4.9/88=54...(7) HG3 GLN 26 - HB2 HIS 25 far 14 96 15 - 4.7-5.8 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (2.00, 3.37, 31.20 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.88: HB3 GLN 26 + HB2 HIS 25 OK 88 89 100 99 3.6-4.6 3.9/88=67, 3.0/4184=66...(7) HB2 GLN 26 - HB2 HIS 25 far 0 89 0 - 5.0-5.8 Violated in 0 structures by 0.00 A. Peak 4187 from cnoeabs.peaks (4.69, 2.02, 31.80 ppm; 4.97 A increased from 4.42 A): 1 out of 2 assignments used, quality = 0.94: HA HIS 25 + HB3 GLN 26 OK 94 96 100 99 4.6-4.9 3.6/580=81, 3.0/4185=57...(7) HA HIS 25 - HB2 GLN 26 far 0 96 0 - 6.1-6.2 Violated in 0 structures by 0.00 A. Peak 4188 from cnoeabs.peaks (4.58, 2.29, 34.10 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 29 + HG3 GLN 26 OK 97 100 100 97 3.1-4.1 4191/3.5=70, 4190/3.5=56...(5) HA LEU 29 + HG2 GLN 26 OK 72 100 75 97 3.5-5.1 4191/3.5=70, 4190/3.5=56...(5) HA SER 30 - HG3 GLN 26 far 0 57 0 - 6.7-8.3 HA SER 30 - HG2 GLN 26 far 0 57 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 4189 from cnoeabs.peaks (4.68, 2.29, 34.10 ppm; 5.84 A increased from 5.19 A): 1 out of 2 assignments used, quality = 0.80: HA HIS 25 + HG2 GLN 26 OK 80 80 100 100 4.9-5.8 4187/3.0=81, 3.0/4184=80...(7) HA HIS 25 - HG3 GLN 26 far 0 81 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 4192 from cnoeabs.peaks (4.59, 2.02, 31.80 ppm; 5.37 A increased from 4.52 A): 1 out of 2 assignments used, quality = 0.88: HA LEU 29 + HB2 GLN 26 OK 88 100 90 98 4.9-5.7 4191/4.6=73, 4190/4.6=64...(5) HA LEU 29 - HB3 GLN 26 far 5 100 5 - 5.4-6.4 Violated in 2 structures by 0.03 A. Peak 4193 from cnoeabs.peaks (0.45, 2.02, 31.80 ppm; 5.18 A increased from 4.14 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 29 + HB2 GLN 26 OK 85 96 90 99 4.4-5.7 4195/4.6=65, 4251/4.6=62...(6) QD2 LEU 29 + HB3 GLN 26 OK 84 96 90 97 4.4-5.5 4195/4.6=65, 4251/4.6=62...(5) Violated in 0 structures by 0.00 A. Peak 4194 from cnoeabs.peaks (0.45, 2.29, 34.10 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 29 + HG2 GLN 26 OK 94 99 100 95 2.5-3.6 4196/3.5=47, 4195/3.5=46...(10) QD2 LEU 29 + HG3 GLN 26 OK 90 99 95 96 2.6-4.1 4196/3.5=47, 4195/3.5=46...(11) Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (2.72, 1.56, 32.95 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.96: HB3 TYR 28 + HB3 LYS 27 OK 95 100 95 100 4.0-5.3 2.5/4666=97, ~4667=74...(5) HD2 ARG 56 + HB3 LYS 27 OK 33 97 35 96 3.5-6.0 4198/1.8=86, 1.8/1624=37...(6) Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (2.71, 1.42, 32.95 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.64: HD2 ARG 56 + HB2 LYS 27 OK 64 100 100 64 2.0-4.7 ~1624=24, 1707/4217=17...(6) HB3 TYR 28 - HB2 LYS 27 far 0 100 0 - 5.1-6.2 Violated in 0 structures by 0.00 A. Peak 4200 from cnoeabs.peaks (7.75, 3.90, 56.76 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.98: QD PHE 52 + HA LYS 27 OK 98 100 100 98 2.9-3.7 2.2/4702=88...(3) H ARG 56 - HA LYS 27 far 0 100 0 - 6.3-7.9 H THR 59 - HA LYS 27 far 0 78 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 4201 from cnoeabs.peaks (7.16, 3.90, 56.76 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.92: QE PHE 23 + HA LYS 27 OK 92 92 100 100 2.4-3.8 4639=92, 2.2/4629=76...(14) HZ PHE 52 - HA LYS 27 far 0 85 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 4202 from cnoeabs.peaks (7.07, 3.90, 56.76 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 23 + HA LYS 27 OK 99 99 100 100 2.7-3.9 4629=98, 2.2/4639=74...(8) Violated in 0 structures by 0.00 A. Peak 4203 from cnoeabs.peaks (6.95, 3.90, 56.76 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 23 + HA LYS 27 OK 100 100 100 100 3.8-4.9 2.2/4639=93, 3.8/4629=71...(8) HE3 TRP 51 - HA LYS 27 far 0 85 0 - 6.6-7.7 Violated in 1 structures by 0.00 A. Peak 4204 from cnoeabs.peaks (7.15, 1.42, 32.95 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.93: QD TYR 28 + HB2 LYS 27 OK 76 76 100 100 2.8-3.8 4666/1.8=66, ~4670=57...(11) QE PHE 23 + HB2 LYS 27 OK 73 73 100 100 2.8-4.1 4201/3.0=63, 2.2/4205=54...(12) HZ PHE 52 - HB2 LYS 27 far 0 63 0 - 7.3-8.7 QD TYR 57 - HB2 LYS 27 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 4205 from cnoeabs.peaks (6.93, 1.42, 32.95 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.87: HZ PHE 23 + HB2 LYS 27 OK 87 87 100 100 3.7-4.6 ~4639=60, 4657/3.8=57...(11) HE21 GLN 53 - HB2 LYS 27 far 0 100 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 4206 from cnoeabs.peaks (7.13, 1.56, 32.95 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 28 + HB3 LYS 27 OK 100 100 100 100 2.0-3.3 4666=98, 4667/1.8=90...(9) Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (6.79, 1.56, 32.95 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 28 + HB3 LYS 27 OK 100 100 100 100 2.9-3.9 4216=100, 4671/1.8=98...(9) Violated in 0 structures by 0.00 A. Peak 4208 from cnoeabs.peaks (7.16, 0.63, 24.91 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.92: QE PHE 23 + HG2 LYS 27 OK 92 92 100 100 4.7-5.2 4201/3.7=77, 4210/2.9=75...(14) HZ PHE 52 - HG2 LYS 27 far 0 85 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 4209 from cnoeabs.peaks (7.17, 1.23, 28.52 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 23 + HD2 LYS 27 OK 99 99 100 100 2.8-4.1 2.2/4657=85, 4641/3.0=84...(15) HZ PHE 52 - HD2 LYS 27 far 0 97 0 - 7.1-10.2 QD TYR 57 - HD2 LYS 27 far 0 76 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 4210 from cnoeabs.peaks (7.16, 1.33, 28.52 ppm; 4.85 A): 1 out of 5 assignments used, quality = 0.85: QE PHE 23 + HD3 LYS 27 OK 85 85 100 100 2.7-3.6 4641/3.0=71, 2.2/4211=71...(14) QD TYR 28 - HD3 LYS 27 far 0 63 0 - 5.0-5.9 HZ PHE 52 - HD3 LYS 27 far 0 76 0 - 7.0-8.7 HZ PHE 52 - HG2 ARG 34 far 0 35 0 - 7.1-9.0 QD TYR 28 - HG2 ARG 34 far 0 28 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 4211 from cnoeabs.peaks (6.96, 1.33, 28.52 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.87: HZ PHE 23 + HD3 LYS 27 OK 87 87 100 100 2.5-3.9 2.2/4210=80, 4657/1.8=75...(13) HE3 TRP 51 - HD3 LYS 27 far 0 100 0 - 7.2-8.7 HE3 TRP 51 - HG2 ARG 34 far 0 55 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 4212 from cnoeabs.peaks (7.16, 1.16, 24.91 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.94: QE PHE 23 + HG3 LYS 27 OK 85 85 100 100 4.6-5.4 4208/1.8=82, 4201/3.7=78...(14) QD TYR 28 + HG3 LYS 27 OK 60 63 95 100 4.1-5.6 ~4670=62, ~4671=62...(9) HZ PHE 52 - HG3 LYS 27 far 0 76 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 4215 from cnoeabs.peaks (2.84, 6.79, 117.91 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.51: HD3 ARG 56 + QE TYR 28 OK 51 90 100 56 3.5-3.8 1.8/1707=33...(3) HE2 LYS 27 - QE TYR 28 far 5 92 5 - 4.9-7.9 Violated in 0 structures by 0.00 A. Peak 4216 from cnoeabs.peaks (1.56, 6.79, 117.91 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.92: HB3 LYS 27 + QE TYR 28 OK 92 92 100 100 2.9-3.9 4666/2.2=98, 4207=96...(9) HG2 LYS 49 - QE TYR 28 far 0 87 0 - 6.6-11.7 QB ALA 31 - QE TYR 28 far 0 92 0 - 9.2-11.4 HG3 ARG 34 - QE TYR 28 far 0 60 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 4217 from cnoeabs.peaks (1.43, 6.79, 117.91 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.87: HB2 LYS 27 + QE TYR 28 OK 87 87 100 100 3.3-3.9 4667/2.2=90, 1.8/4670=90...(6) HG3 ARG 56 - QE TYR 28 far 9 60 15 - 3.4-6.2 HG2 LYS 62 - QE TYR 28 far 0 91 0 - 8.3-19.2 HG3 LYS 62 - QE TYR 28 far 0 91 0 - 8.7-18.5 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (1.57, 1.24, 44.31 ppm; 4.73 A increased from 4.45 A): 1 out of 5 assignments used, quality = 0.96: HG3 ARG 34 + HB2 LEU 29 OK 96 96 100 100 4.3-4.7 4224/1.8=79, 4330/3.1=56...(12) QB ALA 31 - HB2 LEU 29 far 0 90 0 - 6.5-6.6 HG LEU 37 - HB2 LEU 29 far 0 93 0 - 7.0-7.5 HG2 LYS 49 - HB2 LEU 29 far 0 100 0 - 8.4-10.8 HB3 LYS 27 - HB2 LEU 29 far 0 93 0 - 9.2-9.8 Violated in 2 structures by 0.00 A. Peak 4222 from cnoeabs.peaks (1.87, 1.24, 44.31 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLU 33 + HB2 LEU 29 OK 97 97 100 100 3.1-3.4 1.8/4223=71, 4234/3.1=54...(17) HB3 ARG 34 + HB2 LEU 29 OK 94 95 100 100 2.4-2.8 4225/1.8=71, 135/4314=54...(18) HB3 LYS 49 - HB2 LEU 29 far 0 98 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 4223 from cnoeabs.peaks (2.30, 1.24, 44.31 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.93: HB3 GLU 33 + HB2 LEU 29 OK 93 93 100 100 3.0-3.6 4296=73, 1.8/4308=55...(19) HG2 GLU 33 - HB2 LEU 29 far 0 83 0 - 4.7-5.7 HG3 GLN 26 - HB2 LEU 29 far 0 93 0 - 5.3-6.1 HG2 GLN 26 - HB2 LEU 29 far 0 92 0 - 5.8-7.0 HB3 PRO 32 - HB2 LEU 29 far 0 100 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 4224 from cnoeabs.peaks (1.58, 1.46, 44.31 ppm; 4.74 A increased from 4.47 A): 1 out of 5 assignments used, quality = 0.99: HG3 ARG 34 + HB3 LEU 29 OK 99 99 100 100 3.7-4.6 4221/1.8=79, 3.0/4225=79...(12) HG2 LYS 49 - HB3 LEU 29 far 0 99 0 - 7.1-9.4 QB ALA 31 - HB3 LEU 29 far 0 83 0 - 7.1-7.4 HG LEU 37 - HB3 LEU 29 far 0 87 0 - 7.2-8.0 HB3 LYS 27 - HB3 LEU 29 far 0 87 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 4225 from cnoeabs.peaks (1.88, 1.46, 44.31 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.89: HB3 ARG 34 + HB3 LEU 29 OK 89 89 100 100 2.6-3.2 3.0/4318=52, 3.0/4224=47...(17) HB2 GLU 33 - HB3 LEU 29 far 0 99 0 - 4.8-5.0 HB3 LYS 49 - HB3 LEU 29 far 0 100 0 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (2.30, 1.46, 44.31 ppm; 5.09 A increased from 4.52 A): 1 out of 4 assignments used, quality = 0.78: HB3 GLU 33 + HB3 LEU 29 OK 78 87 90 100 4.7-5.3 4223/1.8=98, 1.8/4309=82...(19) HG3 GLN 26 - HB3 LEU 29 far 10 97 10 - 4.9-6.1 HG2 GLN 26 - HB3 LEU 29 far 0 97 0 - 5.6-6.8 HG2 GLU 33 - HB3 LEU 29 far 0 73 0 - 6.4-7.4 Violated in 3 structures by 0.02 A. Peak 4227 from cnoeabs.peaks (1.87, 0.74, 26.77 ppm; 3.98 A): 0 out of 3 assignments used, quality = 0.00: HB3 ARG 34 - HG LEU 29 far 0 95 0 - 4.8-5.1 HB2 GLU 33 - HG LEU 29 far 0 97 0 - 4.8-5.4 HB3 LYS 49 - HG LEU 29 far 0 98 0 - 8.4-9.7 Violated in 20 structures by 0.46 A. Peak 4228 from cnoeabs.peaks (1.69, 0.15, 26.45 ppm; 4.90 A): 3 out of 8 assignments used, quality = 1.00: HG3 LYS 22 + QD1 LEU 29 OK 99 99 100 100 2.7-3.8 4810=90, 4155/2.1=88...(10) HB2 LEU 37 + QD1 LEU 29 OK 81 81 100 100 3.2-3.7 3.1/4376=81, 1.8/4372=78...(8) HG2 LYS 22 + QD1 LEU 29 OK 60 60 100 100 2.0-2.8 1.8/4810=76, ~4155=67...(11) HD2 LYS 49 - QD1 LEU 29 far 0 87 0 - 7.4-9.2 HD3 LYS 49 - QD1 LEU 29 far 0 89 0 - 7.4-9.1 HD3 LYS 39 - QD1 LEU 29 far 0 98 0 - 9.2-10.7 HG13 ILE 50 - QD1 LEU 29 far 0 99 0 - 9.4-10.8 HD2 LYS 39 - QD1 LEU 29 far 0 98 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (1.87, 0.15, 26.45 ppm; 4.73 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 33 + QD1 LEU 29 OK 97 97 100 100 3.2-4.0 4307=94, 4234/2.1=88...(16) HB3 ARG 34 + QD1 LEU 29 OK 95 95 100 100 2.9-3.3 4327=87, 3.0/4326=85...(17) HB3 LYS 49 - QD1 LEU 29 far 0 98 0 - 6.2-7.2 HG LEU 41 - QD1 LEU 29 far 0 100 0 - 6.6-7.3 HG2 ARG 21 - QD1 LEU 29 far 0 95 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 4230 from cnoeabs.peaks (0.99, 0.15, 26.45 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.96: QG1 VAL 48 + QD1 LEU 29 OK 96 97 100 99 2.5-3.3 4581=89, 4853/4326=46...(8) QD1 LEU 37 - QD1 LEU 29 poor 18 73 25 - 3.6-4.1 QG2 VAL 16 - QD1 LEU 29 far 0 65 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 4231 from cnoeabs.peaks (0.92, 0.15, 26.45 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 37 + QD1 LEU 29 OK 100 100 100 100 1.8-2.1 4376=97, 4232/2.1=71...(14) QG2 ILE 50 - QD1 LEU 29 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 4232 from cnoeabs.peaks (0.92, 0.46, 23.31 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 37 + QD2 LEU 29 OK 99 99 100 100 2.6-3.5 4376/2.1=75...(18) QG2 VAL 48 - QD2 LEU 29 far 0 63 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (1.68, 0.46, 23.31 ppm; 3.85 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 22 + QD2 LEU 29 OK 100 100 100 100 2.0-2.9 4155=77, 1.8/4153=61...(12) HB2 LEU 37 + QD2 LEU 29 OK 23 96 25 98 3.7-4.6 3.1/4232=54, 4373/2.1=41...(10) HD2 LYS 49 - QD2 LEU 29 far 0 65 0 - 9.1-11.2 HD3 LYS 49 - QD2 LEU 29 far 0 68 0 - 9.3-11.1 HD3 LYS 39 - QD2 LEU 29 far 0 87 0 - 9.6-11.8 HD2 LYS 39 - QD2 LEU 29 far 0 87 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 4234 from cnoeabs.peaks (1.88, 0.46, 23.31 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 33 + QD2 LEU 29 OK 100 100 100 100 2.1-2.9 4306=92, 1.8/4310=59...(15) HB3 ARG 34 - QD2 LEU 29 far 4 78 5 - 3.9-4.6 HG LEU 41 - QD2 LEU 29 far 0 93 0 - 8.0-9.0 HB3 LYS 49 - QD2 LEU 29 far 0 100 0 - 8.4-9.4 HG2 ARG 21 - QD2 LEU 29 far 0 78 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 4235 from cnoeabs.peaks (2.00, 0.46, 23.31 ppm; 4.05 A): 0 out of 5 assignments used, quality = 0.00: HB3 GLN 26 - QD2 LEU 29 far 0 89 0 - 4.4-5.5 HB2 GLN 26 - QD2 LEU 29 far 0 89 0 - 4.4-5.7 HG2 PRO 32 - QD2 LEU 29 far 0 73 0 - 7.8-8.5 HB3 GLU 18 - QD2 LEU 29 far 0 97 0 - 7.9-9.3 HB2 GLU 18 - QD2 LEU 29 far 0 97 0 - 8.8-10.3 Violated in 18 structures by 0.35 A. Peak 4236 from cnoeabs.peaks (2.29, 0.46, 23.31 ppm; 3.58 A): 3 out of 4 assignments used, quality = 1.00: HG2 GLN 26 + QD2 LEU 29 OK 96 100 100 96 2.5-3.6 3.5/4196=48, 4194=46...(10) HG3 GLN 26 + QD2 LEU 29 OK 91 100 95 96 2.6-4.1 3.5/4196=48, 4194=44...(11) HB3 GLU 33 + QD2 LEU 29 OK 65 65 100 100 3.0-3.5 1.8/4234=66, 4223/3.1=41...(17) HB3 PRO 32 - QD2 LEU 29 far 0 87 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 4237 from cnoeabs.peaks (3.79, 1.24, 44.31 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 34 + HB2 LEU 29 OK 100 100 100 100 3.1-3.5 4318/1.8=92, 4326/3.1=88...(18) HD3 PRO 32 - HB2 LEU 29 far 0 97 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 4238 from cnoeabs.peaks (3.80, 1.46, 44.31 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.99: HA ARG 34 + HB3 LEU 29 OK 99 99 100 100 3.8-4.4 4318=97, 4326/3.1=83...(20) HD3 PRO 32 - HB3 LEU 29 far 0 100 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 4239 from cnoeabs.peaks (3.79, 0.74, 26.77 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 34 + HG LEU 29 OK 100 100 100 100 5.0-5.1 4326/2.1=99, 4242/2.1=82...(17) HD3 PRO 32 - HG LEU 29 far 0 97 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 4240 from cnoeabs.peaks (3.79, 0.15, 26.45 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: HA ARG 34 + QD1 LEU 29 OK 100 100 100 100 2.1-2.5 4326=100, 4853/4581=46...(23) HD3 PRO 32 - QD1 LEU 29 far 0 99 0 - 7.3-7.7 HA ILE 50 - QD1 LEU 29 far 0 85 0 - 9.0-9.6 HA GLN 15 - QD1 LEU 29 far 0 100 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 4241 from cnoeabs.peaks (4.07, 0.46, 23.31 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 33 + QD2 LEU 29 OK 100 100 100 100 4.2-5.0 3.0/4234=87, 4305=85...(14) HA LEU 37 - QD2 LEU 29 far 0 99 0 - 5.9-6.6 HA ARG 21 - QD2 LEU 29 far 0 100 0 - 7.8-9.0 HA SER 24 - QD2 LEU 29 far 0 97 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 4242 from cnoeabs.peaks (3.78, 0.46, 23.31 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.99: HA ARG 34 + QD2 LEU 29 OK 99 99 100 100 3.2-4.3 4326/2.1=96, 4318/3.1=71...(22) HD3 PRO 32 - QD2 LEU 29 far 0 90 0 - 6.4-7.0 HA PHE 52 - QD2 LEU 29 far 0 65 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 4243 from cnoeabs.peaks (2.94, 0.46, 23.31 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: HE3 LYS 22 + QD2 LEU 29 OK 99 99 100 100 1.9-4.1 4811=97, 1.8/4778=88...(8) HB2 TYR 28 - QD2 LEU 29 far 0 100 0 - 5.7-6.1 Violated in 0 structures by 0.00 A. Peak 4244 from cnoeabs.peaks (2.81, 0.46, 23.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 22 + QD2 LEU 29 OK 100 100 100 100 2.0-3.8 4778=98, 1.8/4811=73...(9) Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (8.73, 1.24, 44.31 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: H ARG 34 + HB2 LEU 29 OK 100 100 100 100 2.9-3.4 4314=99, 4246/1.8=70...(19) Violated in 0 structures by 0.00 A. Peak 4246 from cnoeabs.peaks (8.73, 1.46, 44.31 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: H ARG 34 + HB3 LEU 29 OK 100 100 100 100 4.3-4.8 4314/1.8=95, 135/4225=77...(15) Violated in 0 structures by 0.00 A. Peak 4247 from cnoeabs.peaks (7.74, 0.15, 26.45 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 52 + QD1 LEU 29 OK 99 99 100 100 3.5-4.0 2.2/4248=88...(7) H ARG 56 - QD1 LEU 29 far 0 99 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 4248 from cnoeabs.peaks (7.54, 0.15, 26.45 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 52 + QD1 LEU 29 OK 99 99 100 100 2.3-2.9 4724/2.1=72, 2.2/4249=71...(12) H GLU 18 - QD1 LEU 29 far 0 90 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 4249 from cnoeabs.peaks (7.17, 0.15, 26.45 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 52 + QD1 LEU 29 OK 99 99 100 100 1.9-2.6 4648=82, 4254/2.1=80...(13) QE PHE 23 - QD1 LEU 29 far 0 100 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 4250 from cnoeabs.peaks (7.76, 0.46, 23.31 ppm; 5.62 A increased from 4.99 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 52 + QD2 LEU 29 OK 96 96 100 100 5.2-5.6 2.2/4252=96, 3.8/4254=82...(5) Violated in 1 structures by 0.00 A. Peak 4251 from cnoeabs.peaks (7.64, 0.46, 23.31 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: HE22 GLN 26 + QD2 LEU 29 OK 100 100 100 100 1.9-3.5 4196=99, 1.7/4195=74...(9) H HIS 25 - QD2 LEU 29 far 0 99 0 - 5.4-6.9 Violated in 0 structures by 0.00 A. Peak 4252 from cnoeabs.peaks (7.50, 0.46, 23.31 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.71: QE PHE 52 + QD2 LEU 29 OK 71 71 100 100 3.9-4.3 2.2/4254=76, 4724=58...(11) H TYR 28 - QD2 LEU 29 far 0 100 0 - 4.9-5.9 Violated in 0 structures by 0.00 A. Peak 4253 from cnoeabs.peaks (7.41, 0.46, 23.31 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 26 + QD2 LEU 29 OK 100 100 100 100 2.4-3.5 4195=99, 1.7/4196=93...(8) Violated in 0 structures by 0.00 A. Peak 4254 from cnoeabs.peaks (7.18, 0.46, 23.31 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 52 + QD2 LEU 29 OK 100 100 100 100 3.4-4.0 4647=69, 2.2/4252=68...(11) H GLU 33 - QD2 LEU 29 far 0 60 0 - 4.8-5.5 QE PHE 23 - QD2 LEU 29 far 0 99 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (8.04, 0.46, 23.31 ppm; 6.00 A): 2 out of 5 assignments used, quality = 0.74: H LEU 37 + QD2 LEU 29 OK 49 60 90 91 5.1-6.2 4.5/4232=83, 990/4242=36 H LYS 22 + QD2 LEU 29 OK 49 99 50 100 5.6-6.5 557/4890=80, 558/4155=77...(7) H ASN 40 - QD2 LEU 29 far 0 83 0 - 8.5-9.4 H GLN 53 - QD2 LEU 29 far 0 100 0 - 9.3-10.0 H LEU 41 - QD2 LEU 29 far 0 85 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 4256 from cnoeabs.peaks (8.74, 0.15, 26.45 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.98: H ARG 34 + QD1 LEU 29 OK 98 98 100 100 3.8-4.2 4316=95, 2.9/4326=94...(16) Violated in 0 structures by 0.00 A. Peak 4263 from cnoeabs.peaks (2.31, 4.01, 64.90 ppm; 5.02 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 33 + HB2 SER 30 OK 94 97 100 96 2.0-3.9 4787/1.8=72, 4302/611=68...(5) HG2 GLU 33 + HB2 SER 30 OK 80 90 100 88 2.7-4.6 ~4787=47, 4303/4.0=46...(5) HB3 PRO 32 - HB2 SER 30 far 0 100 0 - 5.6-6.4 HG3 GLN 26 - HB2 SER 30 far 0 87 0 - 7.8-8.9 HG2 GLN 26 - HB2 SER 30 far 0 85 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 4264 from cnoeabs.peaks (1.55, 4.01, 64.90 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.97: QB ALA 31 + HB2 SER 30 OK 97 97 100 100 4.0-4.5 4269/1.8=80, 2.9/124=77...(7) Violated in 0 structures by 0.00 A. Peak 4265 from cnoeabs.peaks (3.91, 4.22, 64.90 ppm; 4.25 A increased from 3.78 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 32 + HB3 SER 30 OK 100 100 100 100 4.1-4.3 1.8/4266=78, 4291/1.8=74...(9) Violated in 0 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (3.80, 4.22, 64.90 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 32 + HB3 SER 30 OK 100 100 100 100 2.5-2.6 1.8/4265=76, 4867/1.8=71...(11) HA ARG 34 - HB3 SER 30 far 0 96 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 4267 from cnoeabs.peaks (2.32, 4.22, 64.90 ppm; 5.08 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 33 + HB3 SER 30 OK 99 100 100 99 2.0-3.8 4302/4.0=71, 4787=70...(7) HG2 GLU 33 + HB3 SER 30 OK 60 99 65 93 2.9-5.8 4303/4.0=54, 3.0/4787=50...(6) HB3 PRO 32 - HB3 SER 30 far 0 99 0 - 5.5-6.3 HG3 GLN 26 - HB3 SER 30 far 0 65 0 - 7.7-9.4 HG2 GLN 26 - HB3 SER 30 far 0 63 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (2.12, 4.22, 64.90 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.87: HG3 PRO 32 + HB3 SER 30 OK 87 87 100 100 2.9-3.8 2.3/4266=92, 2.3/4265=91...(8) Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (1.55, 4.22, 64.90 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 31 + HB3 SER 30 OK 100 100 100 100 3.8-4.3 4274/4266=78...(7) Violated in 0 structures by 0.00 A. Peak 4273 from cnoeabs.peaks (3.91, 1.56, 15.32 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 32 + QB ALA 31 OK 100 100 100 100 1.9-2.0 4289=99, 1.8/4274=86...(11) HA THR 46 - QB ALA 31 far 0 97 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (3.80, 1.56, 15.32 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 32 + QB ALA 31 OK 99 100 100 99 2.4-2.5 4290=80, 1.8/4273=50...(11) HA ARG 34 - QB ALA 31 far 0 95 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 4275 from cnoeabs.peaks (2.32, 1.56, 15.32 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.99: HB3 PRO 32 + QB ALA 31 OK 99 99 100 100 4.0-4.1 3.0/4274=93, 3.0/4273=85...(8) HB3 GLU 33 - QB ALA 31 far 0 100 0 - 5.4-5.5 HG2 GLU 33 - QB ALA 31 far 0 99 0 - 6.7-7.3 HG3 GLN 26 - QB ALA 31 far 0 65 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (2.10, 1.56, 15.32 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: HG3 PRO 32 + QB ALA 31 OK 100 100 100 100 4.2-4.2 2.3/4274=97, 2.3/4273=89...(10) HG3 GLU 45 - QB ALA 31 far 0 63 0 - 5.9-6.9 HB2 LYS 49 - QB ALA 31 far 0 63 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 4278 from cnoeabs.peaks (1.96, 1.56, 15.32 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.83: HG2 PRO 32 + QB ALA 31 OK 83 83 100 100 3.9-3.9 2.3/4274=91, 2.3/4273=81...(9) HB2 ARG 34 - QB ALA 31 far 0 76 0 - 4.8-5.1 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (3.81, 4.21, 57.19 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.96: HD3 PRO 32 + HA ALA 31 OK 96 96 100 100 3.8-3.8 3.8=100 HA ARG 34 - HA ALA 31 far 0 78 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 4281 from cnoeabs.peaks (4.39, 1.56, 15.32 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.96: HA PRO 32 + QB ALA 31 OK 96 96 100 100 3.7-3.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (4.55, 1.56, 15.32 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.99: HA SER 30 + QB ALA 31 OK 99 100 100 99 4.1-4.2 4866/4274=78...(7) Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (8.72, 1.56, 15.32 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.97: H ARG 34 + QB ALA 31 OK 97 99 100 99 4.8-5.1 976/2.1=93, 884/4284=62 Violated in 0 structures by 0.00 A. Peak 4284 from cnoeabs.peaks (8.16, 1.56, 15.32 ppm; 5.37 A increased from 5.06 A): 1 out of 2 assignments used, quality = 0.95: H ALA 35 + QB ALA 31 OK 95 97 100 98 5.0-5.2 981/2.1=85, 980/4.5=69 H THR 46 - QB ALA 31 far 0 83 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 4285 from cnoeabs.peaks (9.18, 3.91, 50.04 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: H ALA 31 + HD2 PRO 32 OK 100 100 100 100 3.1-3.2 4270=100, 4271/1.8=79...(13) Violated in 0 structures by 0.00 A. Peak 4286 from cnoeabs.peaks (9.20, 3.80, 50.04 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.92: H ALA 31 + HD3 PRO 32 OK 92 92 100 100 2.1-2.2 2.9/4274=88, 4271=87...(13) Violated in 0 structures by 0.00 A. Peak 4289 from cnoeabs.peaks (1.55, 3.91, 50.04 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 31 + HD2 PRO 32 OK 99 99 100 100 1.9-2.0 4273=98, 4274/1.8=85...(11) Violated in 0 structures by 0.00 A. Peak 4290 from cnoeabs.peaks (1.55, 3.80, 50.04 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.96: QB ALA 31 + HD3 PRO 32 OK 96 97 100 100 2.4-2.5 4274=94, 4289/1.8=56...(11) Violated in 0 structures by 0.00 A. Peak 4291 from cnoeabs.peaks (4.01, 3.91, 50.04 ppm; 4.38 A increased from 3.89 A): 1 out of 1 assignment used, quality = 1.00: HB2 SER 30 + HD2 PRO 32 OK 100 100 100 100 4.3-4.4 1.8/4265=81, 4867/1.8=75...(9) Violated in 3 structures by 0.00 A. Peak 4292 from cnoeabs.peaks (4.21, 3.91, 50.04 ppm; 4.07 A increased from 3.61 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 31 + HD2 PRO 32 OK 100 100 100 100 4.1-4.1 3.8=100 HB3 SER 30 - HD2 PRO 32 poor 20 98 20 - 4.1-4.3 Violated in 0 structures by 0.00 A. Peak 4293 from cnoeabs.peaks (4.22, 3.80, 50.04 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: HB3 SER 30 + HD3 PRO 32 OK 100 100 100 100 2.5-2.6 4266=78, 4265/1.8=65...(11) HA ALA 31 + HD3 PRO 32 OK 98 98 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 4294 from cnoeabs.peaks (1.59, 4.38, 65.82 ppm; 4.74 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 41 - HB2 SER 12 far 0 50 0 - 7.3-10.6 HG3 ARG 34 - HA PRO 32 far 0 98 0 - 7.6-8.2 HB3 LEU 43 - HB2 SER 12 far 0 69 0 - 9.5-11.9 Violated in 20 structures by 2.45 A. Peak 4295 from cnoeabs.peaks (1.47, 2.31, 30.88 ppm; 4.73 A increased from 4.45 A): 1 out of 3 assignments used, quality = 0.81: QB ALA 35 + HB3 PRO 32 OK 81 85 100 95 4.5-4.8 3729/2.3=75, ~980=50...(4) HB3 LEU 29 - HB3 GLU 33 far 9 92 10 - 4.7-5.3 QB ALA 35 - HB3 GLU 33 far 0 75 0 - 6.0-6.2 Violated in 3 structures by 0.01 A. Peak 4296 from cnoeabs.peaks (1.24, 2.31, 30.88 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.92: HB2 LEU 29 + HB3 GLU 33 OK 92 92 100 100 3.0-3.6 4223=98, 4308/1.8=74...(19) HB2 LEU 29 - HB3 PRO 32 far 0 99 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 4297 from cnoeabs.peaks (1.55, 1.98, 28.38 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 31 + HG2 PRO 32 OK 99 99 100 100 3.9-3.9 4274/2.3=98, 4289/2.3=95...(9) Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (1.56, 2.10, 28.38 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 31 + HG3 PRO 32 OK 99 99 100 100 4.2-4.2 4276=99, 4274/2.3=98...(10) HG3 ARG 34 - HG3 PRO 32 far 0 81 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 4301 from cnoeabs.peaks (8.98, 1.88, 30.88 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: H SER 30 + HB2 GLU 33 OK 100 100 100 100 2.7-3.1 4260=99, 4302/1.8=80...(11) H PHE 23 - HB2 GLU 33 far 0 87 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 4302 from cnoeabs.peaks (8.97, 2.32, 30.88 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.99: H SER 30 + HB3 GLU 33 OK 99 99 100 100 1.9-2.1 4260/1.8=80, 4262=63...(13) H SER 30 - HB3 PRO 32 far 0 92 0 - 7.9-8.0 Violated in 0 structures by 0.00 A. Peak 4303 from cnoeabs.peaks (8.96, 2.32, 37.36 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.92: H SER 30 + HG2 GLU 33 OK 92 92 100 100 3.1-4.7 4304/1.8=84, 4302/3.0=83...(11) Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (8.97, 2.23, 37.36 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.99: H SER 30 + HG3 GLU 33 OK 99 99 100 100 3.6-4.5 4261=94, 4260/3.0=83...(8) Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (0.45, 4.07, 58.90 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.86: QD2 LEU 29 + HA GLU 33 OK 86 90 95 100 4.2-5.0 4306/1827=81, 4241=70...(14) Violated in 3 structures by 0.01 A. Peak 4306 from cnoeabs.peaks (0.45, 1.88, 30.88 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 29 + HB2 GLU 33 OK 96 96 100 100 2.1-2.9 4234=93, 4310/1.8=60...(15) Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (0.14, 1.88, 30.88 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + HB2 GLU 33 OK 99 99 100 100 3.2-4.0 2.1/4234=86, 3.1/4308=61...(16) Violated in 0 structures by 0.00 A. Peak 4308 from cnoeabs.peaks (1.23, 1.88, 30.88 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.92: HB2 LEU 29 + HB2 GLU 33 OK 92 92 100 100 3.1-3.4 4223/1.8=77, 3.1/4234=72...(17) Violated in 0 structures by 0.00 A. Peak 4309 from cnoeabs.peaks (1.46, 1.88, 30.88 ppm; 5.03 A increased from 4.47 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 29 + HB2 GLU 33 OK 100 100 100 100 4.8-5.0 1.8/4308=92, 3.1/4234=84...(17) QB ALA 35 - HB2 GLU 33 far 0 65 0 - 6.2-6.6 HG2 LYS 39 - HB2 GLU 33 far 0 60 0 - 9.4-11.0 Violated in 1 structures by 0.00 A. Peak 4310 from cnoeabs.peaks (0.45, 2.32, 30.88 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 29 + HB3 GLU 33 OK 99 99 100 100 3.0-3.5 4306/1.8=88, 3.1/4223=61...(17) QD2 LEU 29 - HB3 PRO 32 far 0 92 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 4311 from cnoeabs.peaks (1.22, 2.32, 37.36 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.73: HB2 LEU 29 + HG2 GLU 33 OK 73 73 100 100 4.7-5.7 4308/3.0=85, 3.1/4312=80...(16) Violated in 2 structures by 0.00 A. Peak 4312 from cnoeabs.peaks (0.45, 2.32, 37.36 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 29 + HG2 GLU 33 OK 96 96 100 100 3.3-4.8 4306/3.0=85, 4313/1.8=79...(15) Violated in 0 structures by 0.00 A. Peak 4313 from cnoeabs.peaks (0.46, 2.23, 37.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HG3 GLU 33 OK 100 100 100 100 3.8-4.9 4234/3.0=83, 4312/1.8=74...(15) Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (1.21, 3.79, 59.87 ppm; 4.36 A): 0 out of 1 assignment used, quality = 0.00: HB2 LEU 43 - HA ARG 34 far 0 90 0 - 8.2-8.8 Violated in 20 structures by 4.15 A. Peak 4318 from cnoeabs.peaks (1.46, 3.79, 59.87 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 29 + HA ARG 34 OK 99 99 100 100 3.8-4.4 3.1/4326=75, 4238=72...(20) HG2 LYS 39 - HA ARG 34 far 0 71 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 4319 from cnoeabs.peaks (0.98, 3.79, 59.87 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.83: QG1 VAL 48 + HA ARG 34 OK 83 85 100 98 3.5-3.7 4853=77, 4230/4326=53...(7) QG2 VAL 48 - HA ARG 34 far 0 65 0 - 4.1-5.2 QD1 LEU 37 - HA ARG 34 far 0 90 0 - 4.9-5.2 Violated in 0 structures by 0.00 A. Peak 4320 from cnoeabs.peaks (0.44, 3.79, 59.87 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.73: QD2 LEU 29 + HA ARG 34 OK 73 73 100 100 3.2-4.3 2.1/4326=100...(22) Violated in 0 structures by 0.00 A. Peak 4322 from cnoeabs.peaks (0.44, 1.93, 59.87 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 4323 from cnoeabs.peaks (1.46, 1.94, 29.95 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.77: QB ALA 35 + HB2 ARG 34 OK 77 78 100 99 3.9-4.1 2.9/141=78, ~142=44...(9) HB3 LEU 29 - HB2 ARG 34 far 15 100 15 - 4.3-4.9 Violated in 0 structures by 0.00 A. Peak 4324 from cnoeabs.peaks (1.22, 1.94, 29.95 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.85: HB2 LEU 29 + HB2 ARG 34 OK 85 85 100 100 3.9-4.3 4314/624=68, ~4225=65...(21) QG2 THR 46 - HB2 ARG 34 far 0 65 0 - 8.9-10.1 HB2 LEU 43 - HB2 ARG 34 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4325 from cnoeabs.peaks (0.15, 1.94, 29.95 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB2 ARG 34 OK 100 100 100 100 4.2-4.6 4326/3.0=86, 4327/1.8=78...(17) Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (0.15, 3.79, 59.87 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HA ARG 34 OK 100 100 100 100 2.1-2.5 4240=81, 4230/4853=40...(23) Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (0.15, 1.86, 29.95 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB3 ARG 34 OK 100 100 100 100 2.9-3.3 4326/3.0=87, 4325/1.8=80...(18) Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (2.06, 1.34, 28.15 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: HG3 GLU 45 + HG2 ARG 34 OK 99 99 100 100 2.2-2.8 4517=74, 3.0/4513=61...(11) HB2 GLU 45 + HG2 ARG 34 OK 83 83 100 100 3.2-4.2 4513=79, 3.0/4517=53...(12) HB3 GLU 45 - HG2 ARG 34 far 0 87 0 - 4.7-5.4 HB3 ARG 56 - HD3 LYS 27 far 0 28 0 - 5.1-7.9 HB2 LYS 22 - HD3 LYS 27 far 0 53 0 - 8.2-11.4 HB2 GLN 63 - HD3 LYS 27 far 0 48 0 - 9.5-21.4 HB2 LYS 22 - HG2 ARG 34 far 0 99 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 4329 from cnoeabs.peaks (0.99, 1.59, 28.15 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.97: QG1 VAL 48 + HG3 ARG 34 OK 97 97 100 100 2.0-2.8 4331/1.8=60, 2.1/4571=60...(14) QD1 LEU 37 - HG3 ARG 34 far 0 71 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 4330 from cnoeabs.peaks (0.14, 1.59, 28.15 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HG3 ARG 34 OK 100 100 100 100 2.8-3.6 4326/1860=79...(13) Violated in 0 structures by 0.00 A. Peak 4331 from cnoeabs.peaks (0.98, 1.34, 28.15 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.93: QG1 VAL 48 + HG2 ARG 34 OK 93 93 100 100 2.9-4.0 4329/1.8=90, 2.1/4339=69...(11) QD1 LEU 37 - HG2 ARG 34 far 0 81 0 - 6.6-7.6 QG1 VAL 48 - HD3 LYS 27 far 0 47 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 4332 from cnoeabs.peaks (0.13, 1.34, 28.15 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.93: QD1 LEU 29 + HG2 ARG 34 OK 93 93 100 100 4.2-4.9 4330/1.8=82, 4240/4.0=69...(12) QD1 LEU 29 - HD3 LYS 27 far 0 47 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 4333 from cnoeabs.peaks (0.98, 3.54, 43.10 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 48 + HD2 ARG 34 OK 93 93 100 100 2.8-4.4 4334/1.8=83, 4329/3.0=76...(12) QD1 LEU 37 - HD2 ARG 34 far 0 81 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (0.98, 3.27, 43.10 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 48 + HD3 ARG 34 OK 93 93 100 100 2.4-4.2 2.1/4336=74, 4333/1.8=74...(12) QD1 LEU 37 - HD3 ARG 34 far 0 81 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 4335 from cnoeabs.peaks (2.06, 3.27, 43.10 ppm; 4.64 A increased from 4.12 A): 2 out of 4 assignments used, quality = 0.98: HG3 GLU 45 + HD3 ARG 34 OK 94 99 95 100 3.0-5.1 4529=69, 4337/1.8=64...(8) HB2 GLU 45 + HD3 ARG 34 OK 66 83 80 100 3.2-5.1 4522=65, 4513/3.0=57...(13) HB3 GLU 45 - HD3 ARG 34 far 0 87 0 - 4.8-6.6 HB2 LYS 22 - HD3 ARG 34 far 0 99 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 4336 from cnoeabs.peaks (2.17, 3.27, 43.10 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 48 + HD3 ARG 34 OK 99 99 100 100 2.5-3.9 2.1/4334=73, 4571/3.0=65...(12) HB2 GLN 53 - HD3 ARG 34 far 0 81 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (2.06, 3.54, 43.10 ppm; 5.26 A increased from 4.43 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLU 45 + HD2 ARG 34 OK 99 99 100 100 3.4-5.1 4528=88, 4529/1.8=83...(9) HB2 GLU 45 - HD2 ARG 34 poor 17 83 20 - 4.1-5.9 HB3 GLU 45 - HD2 ARG 34 far 0 87 0 - 5.7-7.4 HB2 LYS 22 - HD2 ARG 34 far 0 99 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 4338 from cnoeabs.peaks (2.14, 3.54, 43.10 ppm; 4.88 A increased from 4.59 A): 1 out of 3 assignments used, quality = 0.73: HB VAL 48 + HD2 ARG 34 OK 73 73 100 100 3.7-4.9 2.1/4333=80, ~4334=62...(12) HB2 LYS 49 - HD2 ARG 34 far 5 95 5 - 5.0-6.1 HB2 GLN 53 - HD2 ARG 34 far 0 97 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 4339 from cnoeabs.peaks (2.15, 1.34, 28.15 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.97: HB VAL 48 + HG2 ARG 34 OK 97 97 100 100 3.1-4.0 4571/1.8=84, 2.1/4331=80...(11) HB2 LYS 49 - HG2 ARG 34 far 0 68 0 - 6.2-7.0 HB2 GLU 20 - HD3 LYS 27 far 0 50 0 - 9.2-10.8 HB2 GLN 53 - HD3 LYS 27 far 0 55 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 4340 from cnoeabs.peaks (4.32, 3.54, 43.10 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.97: HA LYS 49 + HD2 ARG 34 OK 97 97 100 100 3.6-4.7 4342/1.8=72, 3.0/4592=70...(11) HA HIS 36 - HD2 ARG 34 far 0 100 0 - 9.5-10.4 Violated in 1 structures by 0.00 A. Peak 4342 from cnoeabs.peaks (4.33, 3.27, 43.10 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 49 + HD3 ARG 34 OK 100 100 100 100 2.6-4.0 3797=78, 3.0/4593=70...(11) HA HIS 36 - HD3 ARG 34 far 0 93 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (8.54, 3.27, 43.10 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: H LYS 49 + HD3 ARG 34 OK 100 100 100 100 3.4-3.9 4589=85, 718/4593=67...(10) Violated in 0 structures by 0.00 A. Peak 4345 from cnoeabs.peaks (8.53, 3.54, 43.10 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.99: H LYS 49 + HD2 ARG 34 OK 99 99 100 100 4.5-5.2 4344/1.8=92, 3.0/4340=77...(9) H LEU 29 - HD2 ARG 34 lone 1 57 80 2 4.3-5.9 Violated in 2 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (8.72, 1.49, 17.89 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.95: H ARG 34 + QB ALA 35 OK 95 96 100 99 4.1-4.5 139/632=91, 984/149=68...(5) Violated in 0 structures by 0.00 A. Peak 4350 from cnoeabs.peaks (3.63, 3.98, 55.19 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.91: HA GLU 45 + HA ALA 35 OK 91 93 100 97 3.6-4.6 3.9/4355=73, 3.9/4356=65...(5) HA ALA 38 - HA ALA 35 far 0 92 0 - 5.5-5.8 HA VAL 48 - HA ALA 35 far 0 100 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 4354 from cnoeabs.peaks (1.92, 3.98, 55.19 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.94: HB2 ARG 34 + HA ALA 35 OK 80 81 100 100 4.2-4.5 141/3.0=73, 4323/2.1=62...(8) HB3 LYS 39 + HA ALA 35 OK 71 99 80 90 4.6-5.3 650/1001=78, 4415/995=51 HB2 LYS 39 - HA ALA 35 far 0 100 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (2.07, 3.98, 55.19 ppm; 3.31 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLU 45 + HA ALA 35 OK 99 100 100 99 2.5-3.2 4527=69, 1.8/4356=54...(11) HB3 GLU 45 - HA ALA 35 far 0 78 0 - 4.6-5.7 HB2 GLU 45 - HA ALA 35 far 0 73 0 - 4.7-5.6 HG3 PRO 32 - HA ALA 35 far 0 57 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 4356 from cnoeabs.peaks (2.40, 3.98, 55.19 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 45 + HA ALA 35 OK 100 100 100 100 2.1-3.3 4525=93, 1.8/4355=89...(12) Violated in 0 structures by 0.00 A. Peak 4359 from cnoeabs.peaks (3.17, 1.49, 17.89 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.91: HB3 HIS 36 + QB ALA 35 OK 84 89 100 95 4.1-4.5 4.0/149=72, 4353/632=57...(4) HB2 HIS 36 + QB ALA 35 OK 41 89 50 93 3.9-5.2 4.0/149=72, 1.8/4709=47...(4) Violated in 0 structures by 0.00 A. Peak 4360 from cnoeabs.peaks (2.39, 1.49, 17.89 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.97: HG2 GLU 45 + QB ALA 35 OK 97 97 100 100 2.9-3.8 1.8/4362=91, 4514=84...(10) Violated in 0 structures by 0.00 A. Peak 4361 from cnoeabs.peaks (2.29, 1.49, 17.89 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.78: HB3 PRO 32 + QB ALA 35 OK 78 78 100 100 4.5-4.8 2.3/3728=100, ~980=75...(4) Violated in 0 structures by 0.00 A. Peak 4362 from cnoeabs.peaks (2.06, 1.49, 17.89 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.95: HG3 GLU 45 + QB ALA 35 OK 95 96 100 100 2.9-3.6 4355/2.1=83, 1.8/4360=61...(10) HB3 GLU 45 - QB ALA 35 far 0 95 0 - 4.5-5.6 HB2 GLU 45 - QB ALA 35 far 0 92 0 - 4.8-5.5 Violated in 0 structures by 0.00 A. Peak 4363 from cnoeabs.peaks (1.89, 1.49, 17.89 ppm; 4.62 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLU 33 - QB ALA 35 far 0 99 0 - 6.2-6.6 HB3 LYS 49 - QB ALA 35 far 0 98 0 - 7.7-9.0 HG LEU 41 - QB ALA 35 far 0 76 0 - 8.6-8.7 Violated in 20 structures by 1.45 A. Peak 4364 from cnoeabs.peaks (1.32, 1.49, 17.89 ppm; 4.28 A increased from 3.80 A): 2 out of 2 assignments used, quality = 0.95: QB ALA 38 + QB ALA 35 OK 80 83 100 97 4.1-4.3 3748/2.1=68...(6) HG2 ARG 34 + QB ALA 35 OK 75 89 85 99 4.0-4.5 143/632=60, 3.0/4323=43...(10) Violated in 0 structures by 0.00 A. Peak 4367 from cnoeabs.peaks (1.69, 4.32, 59.41 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + HA HIS 36 OK 97 99 100 99 2.0-4.0 3.0/4368=64, 3.0/4788=52...(15) HD2 LYS 39 + HA HIS 36 OK 97 99 100 98 2.3-3.8 3.0/4368=64, 3.0/4788=52...(14) HB2 LEU 37 - HA HIS 36 far 0 78 0 - 5.7-5.8 HD3 LYS 42 - HA HIS 36 far 0 68 0 - 9.2-11.9 HG2 LYS 22 - HA HIS 36 far 0 63 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4368 from cnoeabs.peaks (1.55, 4.32, 59.41 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.99: HG3 LYS 39 + HA HIS 36 OK 99 100 100 99 2.0-3.8 2.9/3753=60, 1.8/4788=58...(14) HG LEU 37 - HA HIS 36 far 0 95 0 - 7.2-7.3 QB ALA 31 - HA HIS 36 far 0 97 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 4370 from cnoeabs.peaks (0.72, 4.06, 57.84 ppm; 4.87 A increased from 4.58 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 41 + HA LEU 37 OK 95 100 95 100 4.7-5.0 4453=94, 4377/1973=82...(8) QD2 LEU 41 + HA LEU 37 OK 65 65 100 100 4.5-4.6 2.1/4390=75, 2.1/4453=74...(8) HG LEU 29 - HA LEU 37 far 0 85 0 - 8.6-8.9 HB2 LEU 19 - HA LEU 37 far 0 94 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 4371 from cnoeabs.peaks (0.73, 1.73, 42.65 ppm; 5.28 A increased from 4.97 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 41 + HB3 LEU 37 OK 98 98 100 100 4.8-5.0 4894/3.0=90, 4453/3.0=72...(10) QD2 LEU 41 - HB3 LEU 37 far 0 81 0 - 5.9-6.1 HG LEU 29 - HB3 LEU 37 far 0 95 0 - 6.3-6.6 HB2 LEU 19 - HB3 LEU 37 far 0 85 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 4372 from cnoeabs.peaks (0.15, 1.73, 42.65 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB3 LEU 37 OK 100 100 100 100 3.1-3.4 4231/3.1=82, 4373/1.8=81...(7) Violated in 0 structures by 0.00 A. Peak 4373 from cnoeabs.peaks (0.15, 1.66, 42.65 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB2 LEU 37 OK 100 100 100 100 3.2-3.7 4231/1967=86...(8) Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (0.52, 0.92, 27.31 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.84: QD2 LEU 19 + QD2 LEU 37 OK 84 89 100 95 1.9-2.8 4378/2.1=44, 4381/2.1=36...(8) Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (0.69, 0.92, 27.31 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.73: QD1 LEU 41 + QD2 LEU 37 OK 73 73 100 100 3.3-3.7 4377/2.1=76, ~4790=50...(13) HB2 LEU 19 - QD2 LEU 37 far 0 93 0 - 5.1-5.7 QD1 ILE 17 - QD2 LEU 37 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 4376 from cnoeabs.peaks (0.14, 0.92, 27.31 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 29 + QD2 LEU 37 OK 98 98 100 100 1.8-2.1 4231=82, 2.1/4232=64...(14) Violated in 0 structures by 0.00 A. Peak 4377 from cnoeabs.peaks (0.71, 0.96, 24.23 ppm; 3.18 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 41 + QD1 LEU 37 OK 96 97 100 98 2.5-3.2 2.1/4790=55, 4894/2.1=50...(12) HB2 LEU 19 - QD1 LEU 37 far 0 100 0 - 5.5-6.3 QD1 ILE 17 - QD1 LEU 37 far 0 98 0 - 8.5-9.2 Violated in 3 structures by 0.00 A. Peak 4378 from cnoeabs.peaks (0.54, 0.96, 24.23 ppm; 3.68 A increased from 3.46 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 19 + QD1 LEU 37 OK 94 100 100 94 3.0-3.7 4374/2.1=55, 4381/2.1=50...(5) Violated in 3 structures by 0.00 A. Peak 4379 from cnoeabs.peaks (0.15, 0.96, 24.23 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + QD1 LEU 37 OK 99 100 100 99 3.6-4.1 4231/2.1=77, ~4232=50...(8) Violated in 0 structures by 0.00 A. Peak 4380 from cnoeabs.peaks (0.72, 1.56, 26.77 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 41 + HG LEU 37 OK 100 100 100 100 2.7-3.0 4894=98, 4377/2.1=73...(11) QD2 LEU 41 - HG LEU 37 far 0 65 0 - 4.1-4.3 HB2 LEU 19 - HG LEU 37 far 0 95 0 - 6.5-7.3 HG LEU 29 - HG LEU 37 far 0 85 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 4381 from cnoeabs.peaks (0.53, 1.56, 26.77 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 19 + HG LEU 37 OK 100 100 100 100 2.7-3.5 4378/2.1=89, 4116=84...(7) Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (2.75, 0.96, 24.23 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASN 40 + QD1 LEU 37 OK 98 98 100 100 3.0-3.4 4426=70, 1.8/4429=69...(9) Violated in 0 structures by 0.00 A. Peak 4383 from cnoeabs.peaks (2.97, 0.96, 24.23 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.89: HE3 LYS 22 + QD1 LEU 37 OK 89 89 100 100 3.2-4.7 3.0/4815=81, 4779/2.1=64...(12) HE3 LYS 39 - QD1 LEU 37 far 0 93 0 - 6.6-9.1 HE2 LYS 39 - QD1 LEU 37 far 0 93 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 4384 from cnoeabs.peaks (3.78, 0.92, 27.31 ppm; 5.16 A): 1 out of 5 assignments used, quality = 0.94: HA ARG 34 + QD2 LEU 37 OK 94 95 100 100 3.0-3.4 3740/1967=83...(7) HA PHE 52 - QD2 LEU 37 far 0 83 0 - 6.6-7.4 HA GLN 15 - QD2 LEU 37 far 0 89 0 - 7.8-8.6 HD3 PRO 32 - QD2 LEU 37 far 0 76 0 - 8.8-9.3 HA ILE 50 - QD2 LEU 37 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 4385 from cnoeabs.peaks (3.61, 0.92, 27.31 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 38 + QD2 LEU 37 OK 100 100 100 100 4.5-4.8 2.9/160=75, ~159=51...(10) HA LEU 19 + QD2 LEU 37 OK 61 63 100 97 2.7-3.4 4.0/4374=73, 4106=45...(9) HA VAL 48 - QD2 LEU 37 far 0 89 0 - 5.0-5.8 HA GLU 45 - QD2 LEU 37 far 0 57 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 4386 from cnoeabs.peaks (2.79, 0.92, 27.31 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.95: HE2 LYS 22 + QD2 LEU 37 OK 95 95 100 100 2.2-4.4 1.8/4780=78, 3.0/4156=68...(16) HB2 ASN 40 - QD2 LEU 37 far 0 68 0 - 5.4-5.6 HE3 LYS 27 - QD2 LEU 37 far 0 68 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 4387 from cnoeabs.peaks (2.39, 0.92, 27.31 ppm; 4.83 A): 1 out of 7 assignments used, quality = 0.98: HB3 LYS 22 + QD2 LEU 37 OK 98 98 100 100 2.6-3.5 4151=93, 1.8/4388=86...(16) HG3 GLU 18 - QD2 LEU 37 far 0 87 0 - 7.0-8.1 HG2 GLU 45 - QD2 LEU 37 far 0 98 0 - 7.3-8.1 HG2 MET 11 - QD2 LEU 37 far 0 100 0 - 7.8-9.8 HD2 ARG 55 - QD2 LEU 37 far 0 87 0 - 9.0-10.3 HG3 GLN 47 - QD2 LEU 37 far 0 93 0 - 9.6-10.8 HG3 GLN 53 - QD2 LEU 37 far 0 81 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 4388 from cnoeabs.peaks (2.04, 0.92, 27.31 ppm; 4.54 A): 1 out of 7 assignments used, quality = 0.93: HB2 LYS 22 + QD2 LEU 37 OK 93 93 100 100 2.7-3.2 4150=86, 1.8/4151=75...(15) HG3 GLU 45 - QD2 LEU 37 far 0 60 0 - 6.9-7.6 HB3 GLU 20 - QD2 LEU 37 far 0 100 0 - 7.6-8.2 HB3 GLN 26 - QD2 LEU 37 far 0 83 0 - 8.0-9.2 HB2 GLU 45 - QD2 LEU 37 far 0 100 0 - 8.0-8.9 HB2 GLN 26 - QD2 LEU 37 far 0 83 0 - 8.0-9.3 HB3 GLU 45 - QD2 LEU 37 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (1.88, 4.06, 57.84 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.96: HG LEU 41 + HA LEU 37 OK 96 96 100 100 4.1-4.4 2.1/4453=75...(7) HB2 GLU 33 - HA LEU 37 far 0 100 0 - 6.4-7.0 HB3 ARG 34 - HA LEU 37 far 0 85 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 4391 from cnoeabs.peaks (7.53, 0.92, 27.31 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 52 + QD2 LEU 37 OK 99 100 100 100 2.3-3.1 4705=89, 2.2/4392=55...(7) H GLU 18 - QD2 LEU 37 far 0 85 0 - 6.9-7.7 H GLN 15 - QD2 LEU 37 far 0 68 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 4392 from cnoeabs.peaks (7.16, 0.92, 27.31 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.76: HZ PHE 52 + QD2 LEU 37 OK 76 76 100 100 2.6-3.5 2.2/4391=86, 4643=59...(10) QE PHE 23 - QD2 LEU 37 far 0 85 0 - 7.2-8.3 HD1 TRP 51 - QD2 LEU 37 far 0 93 0 - 7.9-8.9 QD TYR 28 - QD2 LEU 37 far 0 63 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 4393 from cnoeabs.peaks (8.33, 3.61, 55.88 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: H LEU 43 + HA ALA 38 OK 100 100 100 100 3.6-3.8 4485=97, 192/2.1=75...(10) Violated in 0 structures by 0.00 A. Peak 4394 from cnoeabs.peaks (8.34, 1.34, 17.52 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.97: H LEU 43 + QB ALA 38 OK 97 97 100 100 3.4-3.7 193=92, 4485/2.1=79...(8) Violated in 0 structures by 0.00 A. Peak 4395 from cnoeabs.peaks (8.04, 1.34, 17.52 ppm; 4.24 A): 2 out of 6 assignments used, quality = 0.85: H LEU 37 + QB ALA 38 OK 73 76 100 96 4.1-4.2 155/647=62, 4389=51...(6) H ASN 40 + QB ALA 38 OK 45 68 70 95 4.2-4.4 3.6/4411=55, 889/164=55...(5) H LEU 41 - QB ALA 38 far 0 95 0 - 4.4-4.5 H GLN 47 - QB ALA 38 far 0 99 0 - 4.7-5.2 H GLN 53 - QB ALA 38 far 0 97 0 - 9.4-10.0 H LYS 22 - QB ALA 38 far 0 93 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 4396 from cnoeabs.peaks (8.82, 1.34, 17.52 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.92: H THR 44 + QB ALA 38 OK 92 92 100 100 3.6-3.9 2.9/4413=81, 4.5/192=64...(7) Violated in 0 structures by 0.00 A. Peak 4397 from cnoeabs.peaks (9.24, 1.34, 17.52 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: H GLU 45 + QB ALA 38 OK 100 100 100 100 3.3-3.6 4510=93, 696/4410=69...(6) Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (1.48, 3.61, 55.88 ppm; 4.98 A increased from 4.42 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 43 + HA ALA 38 OK 99 99 100 100 4.3-4.7 2.1/4404=90, 3.0/4402=89...(9) QB ALA 35 - HA ALA 38 far 0 98 0 - 6.5-6.8 HB3 LEU 29 - HA ALA 38 far 0 90 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 4402 from cnoeabs.peaks (1.23, 3.61, 55.88 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 43 + HA ALA 38 OK 99 99 100 100 2.6-3.0 4488=79, 4473/2.1=53...(11) HG LEU 19 - HA ALA 38 far 0 99 0 - 5.6-6.7 HB2 LEU 29 - HA ALA 38 far 0 97 0 - 8.9-9.5 QG2 THR 46 - HA ALA 38 far 0 87 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 4403 from cnoeabs.peaks (0.94, 3.61, 55.88 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 48 + HA ALA 38 OK 98 99 100 99 2.0-2.3 4405/2.1=73, 161/2.9=40...(15) QD1 LEU 37 - HA ALA 38 far 0 85 0 - 4.3-4.9 QD2 LEU 37 - HA ALA 38 far 0 68 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 4404 from cnoeabs.peaks (0.67, 3.61, 55.88 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.89: QD1 LEU 43 + HA ALA 38 OK 89 89 100 100 3.1-3.7 3.1/4402=70...(11) Violated in 0 structures by 0.00 A. Peak 4405 from cnoeabs.peaks (0.95, 1.34, 17.52 ppm; 2.95 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 48 + QB ALA 38 OK 98 100 100 99 1.8-1.9 4576=73, 4403/2.1=52...(13) QD2 LEU 37 - QB ALA 38 far 0 57 0 - 4.4-4.7 QD1 LEU 37 - QB ALA 38 far 0 92 0 - 4.9-5.3 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (1.73, 1.34, 17.52 ppm; 4.99 A): 1 out of 5 assignments used, quality = 1.00: HB3 LEU 37 + QB ALA 38 OK 100 100 100 100 3.8-3.9 158/647=95, 641/4389=68...(11) HD2 LYS 42 - QB ALA 38 far 0 97 0 - 7.0-9.1 HD3 LYS 49 - QB ALA 38 far 0 60 0 - 7.5-9.6 HG2 LYS 22 - QB ALA 38 far 0 89 0 - 7.5-8.2 HD2 LYS 49 - QB ALA 38 far 0 63 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (1.89, 1.34, 17.52 ppm; 5.13 A increased from 4.10 A): 1 out of 4 assignments used, quality = 0.71: HG LEU 41 + QB ALA 38 OK 71 73 100 97 4.9-4.9 ~3766=59, ~3767=49...(6) HB3 LYS 49 - QB ALA 38 far 0 97 0 - 6.1-6.9 HB2 LYS 42 - QB ALA 38 far 0 100 0 - 7.2-7.4 HB2 GLU 33 - QB ALA 38 far 0 99 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 4408 from cnoeabs.peaks (2.06, 1.34, 17.52 ppm; 4.10 A increased from 3.45 A): 1 out of 4 assignments used, quality = 0.89: HG3 GLU 45 + QB ALA 38 OK 89 90 100 99 3.6-4.0 1.8/4410=85...(7) HB3 GLU 45 - QB ALA 38 far 0 98 0 - 4.4-4.9 HB2 GLU 45 - QB ALA 38 far 0 97 0 - 4.6-5.0 HB2 LYS 22 - QB ALA 38 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 4409 from cnoeabs.peaks (2.16, 1.34, 17.52 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 48 + QB ALA 38 OK 99 99 100 100 3.0-3.5 2.1/4405=96, ~4403=58...(9) HB3 LYS 42 - QB ALA 38 far 0 100 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 4410 from cnoeabs.peaks (2.39, 1.34, 17.52 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.99: HG2 GLU 45 + QB ALA 38 OK 99 100 100 100 3.0-3.5 4515=93, 1.8/4408=63...(8) HG3 GLN 47 - QB ALA 38 far 0 97 0 - 5.7-7.1 HG2 MET 11 - QB ALA 38 far 0 99 0 - 6.9-8.3 HB3 LYS 22 - QB ALA 38 far 0 95 0 - 8.4-8.9 HG3 GLU 18 - QB ALA 38 far 0 93 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 4411 from cnoeabs.peaks (4.09, 1.34, 17.52 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.99: HA LYS 39 + QB ALA 38 OK 99 99 100 100 3.7-3.8 4418=95, 3.0/164=82...(8) HA LEU 37 - QB ALA 38 far 0 63 0 - 5.0-5.0 HB THR 46 - QB ALA 38 far 0 63 0 - 6.4-6.8 HA GLU 33 - QB ALA 38 far 0 90 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 4412 from cnoeabs.peaks (3.77, 1.34, 17.52 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.76: HA ARG 34 + QB ALA 38 OK 76 81 100 95 4.2-4.8 996/647=63, 990/4389=44...(6) HA GLN 15 - QB ALA 38 far 0 71 0 - 9.0-9.6 HA ILE 50 - QB ALA 38 far 0 100 0 - 9.2-9.6 HA PHE 52 - QB ALA 38 far 0 96 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 4413 from cnoeabs.peaks (4.64, 1.34, 17.52 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.81: HA THR 44 + QB ALA 38 OK 81 98 100 82 3.0-3.4 206/4510=56, 2.9/4396=48 HA MET 11 - QB ALA 38 far 0 92 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 4414 from cnoeabs.peaks (1.59, 1.34, 17.52 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 43 + QB ALA 38 OK 97 97 100 100 3.2-3.8 4476/4405=61...(11) HG3 ARG 34 + QB ALA 38 OK 86 99 95 91 3.4-4.4 4.0/4412=40...(7) HB2 LEU 41 - QB ALA 38 far 0 73 0 - 4.4-4.7 HG2 LYS 49 - QB ALA 38 far 0 78 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (8.43, 1.92, 32.12 ppm; 5.09 A increased from 4.80 A): 1 out of 2 assignments used, quality = 1.00: H ALA 38 + HB3 LYS 39 OK 100 100 100 100 5.0-5.1 162/651=98, 4399=93...(7) H ALA 38 - HB2 LYS 39 far 0 99 0 - 6.3-6.4 Violated in 2 structures by 0.00 A. Peak 4418 from cnoeabs.peaks (1.33, 4.08, 59.02 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.97: QB ALA 38 + HA LYS 39 OK 97 97 100 100 3.7-3.8 4411=95, 164/3.0=80...(8) HG3 LYS 42 - HA LYS 39 far 0 83 0 - 5.0-7.2 HG2 LYS 42 - HA LYS 39 far 0 83 0 - 5.7-6.9 HG2 ARG 34 - HA GLU 33 far 0 85 0 - 7.2-7.4 QB ALA 38 - HA GLU 33 far 0 82 0 - 7.2-7.6 HG2 ARG 34 - HA LYS 39 far 0 99 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 4422 from cnoeabs.peaks (1.91, 4.37, 55.84 ppm; 4.91 A increased from 4.62 A): 1 out of 3 assignments used, quality = 0.94: HB2 LYS 39 + HA ASN 40 OK 94 95 100 99 4.7-4.8 2.9/4423=78, ~169=41...(10) HB3 LYS 39 - HA ASN 40 far 0 92 0 - 5.6-5.7 HB2 LYS 42 - HA ASN 40 far 0 85 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 4423 from cnoeabs.peaks (1.43, 4.37, 55.84 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.96: HG2 LYS 39 + HA ASN 40 OK 96 100 100 96 3.1-4.2 169/3.0=60, 2.9/4422=51...(9) HB3 LEU 41 - HA ASN 40 far 0 100 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 4424 from cnoeabs.peaks (0.73, 4.37, 55.84 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 41 + HA ASN 40 OK 93 93 100 99 4.0-4.4 669/3489=63, 4430/2.9=61...(8) QD1 LEU 41 - HA ASN 40 far 0 90 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 4425 from cnoeabs.peaks (1.87, 2.76, 38.33 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 41 + HB2 ASN 40 OK 100 100 100 100 3.4-3.5 4428/1.8=81, 668/3490=71...(9) HB2 GLU 33 - HB2 ASN 40 far 0 93 0 - 8.9-9.4 HB2 LYS 42 - HB2 ASN 40 far 0 81 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 4426 from cnoeabs.peaks (0.95, 2.76, 38.33 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.92: QD1 LEU 37 + HB2 ASN 40 OK 92 92 100 100 3.0-3.4 4382=85, 4429/1.8=80...(9) QD2 LEU 37 - HB2 ASN 40 far 0 57 0 - 5.4-5.6 QG2 VAL 48 - HB2 ASN 40 far 0 100 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 4427 from cnoeabs.peaks (0.73, 2.76, 38.33 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.96: QD2 LEU 41 + HB2 ASN 40 OK 93 93 100 100 3.1-3.6 4430/1.8=78, 2.1/4425=77...(9) QD1 LEU 41 + HB2 ASN 40 OK 36 90 40 100 4.7-4.8 2.1/4425=77, 670/3490=60...(9) HB2 LEU 19 - HB2 ASN 40 far 0 68 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4428 from cnoeabs.peaks (1.87, 2.70, 38.33 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 41 + HB3 ASN 40 OK 99 99 100 100 3.5-3.8 4425/1.8=75, 2.1/4447=70...(8) HB2 LYS 42 - HB3 ASN 40 far 0 89 0 - 8.8-9.0 HG2 ARG 21 - HB3 ASN 40 far 0 93 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 4429 from cnoeabs.peaks (0.95, 2.70, 38.33 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 37 + HB3 ASN 40 OK 97 97 100 100 3.6-4.0 4382/1.8=78...(7) QG2 VAL 48 - HB3 ASN 40 far 0 100 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 4430 from cnoeabs.peaks (0.73, 2.70, 38.33 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.85: QD2 LEU 41 + HB3 ASN 40 OK 85 85 100 100 2.3-2.8 2.1/4428=80, 4447=77...(10) QD1 LEU 41 - HB3 ASN 40 poor 19 97 20 - 4.7-4.9 HB2 LEU 19 - HB3 ASN 40 far 0 81 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 4435 from cnoeabs.peaks (7.78, 1.43, 42.54 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.89: HE21 GLN 15 + HB3 LEU 41 OK 89 89 100 100 2.0-2.5 3.5/4444=65, ~414=63...(17) Violated in 0 structures by 0.00 A. Peak 4436 from cnoeabs.peaks (7.79, 0.75, 22.71 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 15 + QD2 LEU 41 OK 99 99 100 100 3.8-4.2 4035=98, 4031/2.1=72...(20) Violated in 0 structures by 0.00 A. Peak 4437 from cnoeabs.peaks (7.54, 0.75, 22.71 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.92: H GLU 18 + QD2 LEU 41 OK 92 93 100 99 4.1-4.7 531/4093=64, 940/4446=53...(8) QE PHE 52 - QD2 LEU 41 far 0 98 0 - 6.5-7.6 Violated in 1 structures by 0.00 A. Peak 4438 from cnoeabs.peaks (7.97, 0.72, 26.10 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.97: H LEU 19 + QD1 LEU 41 OK 97 97 100 99 3.1-3.6 537/4816=62, 538/4817=48...(11) H HIS 36 - QD1 LEU 41 far 0 90 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 4439 from cnoeabs.peaks (7.77, 0.72, 26.10 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.68: HE21 GLN 15 + QD1 LEU 41 OK 68 68 100 100 3.3-4.4 4435/3.1=79, ~414=66...(19) QD PHE 52 - QD1 LEU 41 far 0 76 0 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (7.53, 0.72, 26.10 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.73: H GLU 18 + QD1 LEU 41 OK 65 65 100 99 4.1-4.7 4437/2.1=73, 4.7/4438=55...(9) QE PHE 52 + QD1 LEU 41 OK 23 100 25 93 4.5-5.6 4099/4816=81...(4) H GLN 15 - QD1 LEU 41 far 0 87 0 - 5.6-6.5 Violated in 0 structures by 0.00 A. Peak 4442 from cnoeabs.peaks (2.31, 1.62, 42.54 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.99: HG2 GLN 15 + HB2 LEU 41 OK 99 99 100 100 3.4-4.6 4024/1.8=86, ~4028=61...(18) HG2 GLU 67 - HB3 LEU 68 far 2 47 5 - 4.5-8.4 HG2 GLU 67 - HB2 LEU 68 far 2 34 5 - 3.3-8.3 HG2 GLU 67 - HB3 LEU 64 far 0 64 0 - 5.0-13.1 HG2 GLU 18 - HB2 LEU 41 far 0 60 0 - 5.6-7.0 Violated in 1 structures by 0.00 A. Peak 4443 from cnoeabs.peaks (2.47, 1.43, 42.54 ppm; 4.57 A): 1 out of 3 assignments used, quality = 0.92: HG3 GLN 15 + HB3 LEU 41 OK 92 92 100 100 3.2-4.4 1.8/4444=84, 4028=84...(20) HG3 MET 11 - HB3 LEU 41 far 0 93 0 - 5.4-8.6 HG2 GLU 20 - HB3 LEU 41 far 0 99 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4444 from cnoeabs.peaks (2.30, 1.43, 42.54 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLN 15 + HB3 LEU 41 OK 100 100 100 100 2.0-3.7 4024=96, 1.8/4028=73...(17) HG2 GLU 18 - HB3 LEU 41 far 8 83 10 - 4.3-5.6 Violated in 0 structures by 0.00 A. Peak 4445 from cnoeabs.peaks (2.72, 1.87, 26.77 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.85: HB3 ASN 40 + HG LEU 41 OK 85 85 100 100 3.5-3.8 1.8/4425=87, 4428=77...(8) Violated in 0 structures by 0.00 A. Peak 4446 from cnoeabs.peaks (3.79, 0.75, 22.71 ppm; 3.96 A increased from 3.73 A): 1 out of 3 assignments used, quality = 0.98: HA GLN 15 + QD2 LEU 41 OK 98 100 100 98 3.2-4.0 4454/2.1=57, 4019=56...(11) HA THR 14 - QD2 LEU 41 far 0 89 0 - 6.8-7.7 HA ARG 34 - QD2 LEU 41 far 0 99 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 4447 from cnoeabs.peaks (2.70, 0.75, 22.71 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASN 40 + QD2 LEU 41 OK 100 100 100 100 2.3-2.8 4428/2.1=77, 4430=73...(10) Violated in 0 structures by 0.00 A. Peak 4448 from cnoeabs.peaks (2.47, 0.75, 22.71 ppm; 5.33 A increased from 4.74 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLN 15 + QD2 LEU 41 OK 97 97 100 100 3.8-5.4 4029/2.1=87, 3.8/4446=80...(17) HB2 GLN 15 + QD2 LEU 41 OK 57 57 100 100 4.3-5.4 2.9/4446=91, 4.6/4035=60...(15) HG3 MET 11 - QD2 LEU 41 far 0 97 0 - 6.7-9.3 HG2 GLU 20 - QD2 LEU 41 far 0 97 0 - 7.9-9.7 Violated in 0 structures by 0.00 A. Peak 4449 from cnoeabs.peaks (2.39, 0.75, 22.71 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.94: HG3 GLU 18 + QD2 LEU 41 OK 94 95 100 100 3.2-3.9 4093=91, 1.8/4450=67...(11) HG2 MET 11 - QD2 LEU 41 far 0 99 0 - 6.0-7.9 HB3 LYS 22 - QD2 LEU 41 far 0 93 0 - 6.6-8.2 HG3 GLU 20 - QD2 LEU 41 far 0 60 0 - 8.0-8.8 HG2 GLU 45 - QD2 LEU 41 far 0 100 0 - 9.6-10.3 HG3 GLN 47 - QD2 LEU 41 far 0 98 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4450 from cnoeabs.peaks (2.27, 0.75, 22.71 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.98: HG2 GLU 18 + QD2 LEU 41 OK 97 100 100 97 2.0-3.0 1.8/4093=60, 4091=37...(11) HG2 GLN 15 + QD2 LEU 41 OK 29 73 40 98 3.1-4.9 3.8/4446=37, ~4029=31...(17) Violated in 0 structures by 0.00 A. Peak 4451 from cnoeabs.peaks (1.98, 0.75, 22.71 ppm; 3.19 A): 2 out of 6 assignments used, quality = 0.96: HB2 GLU 18 + QD2 LEU 41 OK 81 85 100 95 2.1-2.9 3.0/4093=39, 3.0/4450=35...(14) HB3 GLU 18 + QD2 LEU 41 OK 80 85 100 94 1.9-2.4 3.0/4093=39, 3.0/4450=35...(13) HB2 ARG 21 - QD2 LEU 41 far 0 97 0 - 6.1-6.6 HD3 LYS 22 - QD2 LEU 41 far 0 90 0 - 6.4-9.0 HB2 MET 11 - QD2 LEU 41 far 0 83 0 - 6.4-7.5 HB3 ARG 21 - QD2 LEU 41 far 0 99 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 4452 from cnoeabs.peaks (1.20, 0.75, 22.71 ppm; 4.06 A): 0 out of 2 assignments used, quality = 0.00: QG2 THR 14 - QD2 LEU 41 far 0 99 0 - 4.8-5.6 HB2 LEU 43 - QD2 LEU 41 far 0 73 0 - 5.4-5.8 Violated in 20 structures by 0.73 A. Peak 4453 from cnoeabs.peaks (4.06, 0.72, 26.10 ppm; 4.96 A): 1 out of 5 assignments used, quality = 1.00: HA LEU 37 + QD1 LEU 41 OK 100 100 100 100 4.7-5.0 1973/4377=90...(9) HA LYS 39 - QD1 LEU 41 far 0 71 0 - 6.4-6.9 HB THR 14 - QD1 LEU 41 far 0 96 0 - 6.9-8.1 HA ARG 21 - QD1 LEU 41 far 0 93 0 - 8.2-8.6 HA GLU 33 - QD1 LEU 41 far 0 92 0 - 9.0-9.8 Violated in 1 structures by 0.00 A. Peak 4454 from cnoeabs.peaks (3.79, 0.72, 26.10 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.99: HA GLN 15 + QD1 LEU 41 OK 99 100 100 100 3.4-4.5 4446/2.1=85, 2.9/4027=48...(11) HA ARG 34 - QD1 LEU 41 far 0 100 0 - 6.6-7.0 HA THR 14 - QD1 LEU 41 far 0 78 0 - 7.1-8.1 HA ILE 50 - QD1 LEU 41 far 0 89 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 4455 from cnoeabs.peaks (3.61, 0.72, 26.10 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 38 + QD1 LEU 41 OK 99 100 100 99 3.0-3.7 3766/3.1=75, 3765/670=57...(7) HA LEU 19 + QD1 LEU 41 OK 64 65 100 98 3.2-3.8 4.0/4816=66, 2.9/4438=65...(7) HA VAL 48 - QD1 LEU 41 far 5 90 5 - 4.6-5.4 HA GLU 45 - QD1 LEU 41 far 0 60 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 4456 from cnoeabs.peaks (2.27, 0.72, 26.10 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 18 + QD1 LEU 41 OK 100 100 100 100 3.2-4.2 4450/2.1=75, ~4093=68...(13) HG2 GLN 15 + QD1 LEU 41 OK 73 73 100 100 2.2-4.0 3.8/4454=60, 3.0/4027=54...(17) HG2 GLN 26 - QD1 LEU 41 far 0 93 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 4457 from cnoeabs.peaks (1.98, 0.72, 26.10 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.99: HB2 GLU 18 + QD1 LEU 41 OK 92 93 100 99 2.0-2.8 4451/2.1=41, 4.3/4438=32...(17) HB3 GLU 18 + QD1 LEU 41 OK 92 93 100 98 2.2-3.2 4451/2.1=40, 4.3/4438=32...(16) HB2 MET 11 - QD1 LEU 41 far 0 92 0 - 5.1-5.9 HD3 LYS 22 - QD1 LEU 41 far 0 81 0 - 6.0-8.5 HB2 ARG 21 - QD1 LEU 41 far 0 92 0 - 6.2-6.6 HB3 ARG 21 - QD1 LEU 41 far 0 96 0 - 7.5-8.0 HD3 ARG 55 - QD1 LEU 41 far 0 97 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 4458 from cnoeabs.peaks (0.94, 0.72, 26.10 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.89: QD1 LEU 37 + QD1 LEU 41 OK 75 76 100 99 2.5-3.2 4377=63, 2.1/4894=60...(14) QG2 VAL 48 + QD1 LEU 41 OK 36 96 60 64 3.2-3.7 4117/4816=23...(7) QD2 LEU 37 + QD1 LEU 41 OK 27 78 35 99 3.3-3.7 2.1/4377=69, 2.1/4894=60...(14) QG2 ILE 50 - QD1 LEU 41 far 0 68 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 4459 from cnoeabs.peaks (0.95, 0.75, 22.71 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.96: QD1 LEU 37 + QD2 LEU 41 OK 96 97 100 100 2.6-3.2 4377/2.1=80, 4790/2.1=72...(17) QG2 VAL 48 - QD2 LEU 41 far 0 100 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 4460 from cnoeabs.peaks (0.95, 1.87, 26.77 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 37 + HG LEU 41 OK 98 98 100 100 2.6-3.5 4790=95, 4377/2.1=87...(13) QG2 VAL 48 - HG LEU 41 far 0 100 0 - 4.3-4.6 Violated in 0 structures by 0.00 A. Peak 4461 from cnoeabs.peaks (1.33, 1.43, 42.54 ppm; 4.50 A): 0 out of 3 assignments used, quality = 0.00: HG2 LYS 42 - HB3 LEU 41 far 0 73 0 - 5.0-7.6 QB ALA 38 - HB3 LEU 41 far 0 93 0 - 5.9-6.2 HG3 LYS 42 - HB3 LEU 41 far 0 73 0 - 6.4-7.1 Violated in 20 structures by 0.64 A. Peak 4462 from cnoeabs.peaks (1.22, 1.43, 42.54 ppm; 5.01 A increased from 4.71 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 43 + HB3 LEU 41 OK 99 99 100 100 4.4-4.8 3.1/4819=88, 3.1/4464=70...(11) HG LEU 19 + HB3 LEU 41 OK 66 81 85 97 4.5-5.4 ~4816=57, ~4818=47...(7) QG2 THR 14 - HB3 LEU 41 far 0 96 0 - 6.4-7.1 Violated in 0 structures by 0.00 A. Peak 4463 from cnoeabs.peaks (0.94, 1.43, 42.54 ppm; 5.60 A increased from 4.72 A): 2 out of 3 assignments used, quality = 0.96: QG2 VAL 48 + HB3 LEU 41 OK 93 96 100 98 4.9-5.5 4403/3769=73...(6) QD1 LEU 37 + HB3 LEU 41 OK 38 76 50 100 5.0-5.8 4459/3.1=85, 4460/3.0=79...(9) QD2 LEU 37 - HB3 LEU 41 far 0 78 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 4464 from cnoeabs.peaks (0.84, 1.43, 42.54 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 43 + HB3 LEU 41 OK 95 96 100 100 3.9-4.5 2.1/4819=95, ~4820=71...(8) Violated in 0 structures by 0.00 A. Peak 4467 from cnoeabs.peaks (8.04, 3.98, 57.60 ppm; 4.63 A): 1 out of 4 assignments used, quality = 0.89: H LEU 41 + HA LYS 42 OK 89 90 100 99 4.4-4.5 4441=84, 181/672=83, 4434/189=54 H ASN 40 - HA LYS 42 far 0 76 0 - 5.6-5.7 H LEU 37 - HA LYS 42 far 0 68 0 - 9.6-9.8 H GLN 47 - HA LYS 42 far 0 97 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 4468 from cnoeabs.peaks (7.79, 1.89, 28.29 ppm; 6.00 A increased from 4.82 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 15 + HB2 LYS 42 OK 100 100 100 100 5.3-6.0 4032/1.8=100, ~4039=91...(5) Violated in 2 structures by 0.00 A. Peak 4469 from cnoeabs.peaks (7.78, 2.15, 28.29 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.95: HE21 GLN 15 + HB3 LYS 42 OK 95 96 100 99 3.7-4.4 4032=90, 1.7/4039=82...(5) Violated in 0 structures by 0.00 A. Peak 4472 from cnoeabs.peaks (0.96, 1.23, 47.68 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 48 + HB2 LEU 43 OK 99 99 100 100 2.4-2.9 4577=95, 4476/1.8=71...(12) QD1 LEU 37 - HB2 LEU 43 far 0 100 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 4473 from cnoeabs.peaks (1.32, 1.23, 47.68 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.68: QB ALA 38 + HB2 LEU 43 OK 68 68 100 100 2.7-2.8 2.1/4402=83, 4475/1.8=70...(9) HG2 ARG 34 - HB2 LEU 43 far 0 76 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 4474 from cnoeabs.peaks (1.83, 1.23, 47.68 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 47 + HB2 LEU 43 OK 100 100 100 100 4.0-5.0 1.8/4487=89, 4477/1.8=86...(14) HB3 MET 11 - HB2 LEU 43 far 0 98 0 - 7.7-9.2 Violated in 1 structures by 0.00 A. Peak 4475 from cnoeabs.peaks (1.32, 1.60, 47.68 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.68: QB ALA 38 + HB3 LEU 43 OK 68 68 100 100 3.2-3.8 4473/1.8=84, 2.1/4489=72...(11) HG2 ARG 34 - HB3 LEU 43 far 0 76 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 4476 from cnoeabs.peaks (0.95, 1.60, 47.68 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + HB3 LEU 43 OK 100 100 100 100 2.7-3.5 4577/1.8=83, 4480/3.1=65...(11) QD1 LEU 37 - HB3 LEU 43 far 0 98 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 4477 from cnoeabs.peaks (1.83, 1.60, 47.68 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 47 + HB3 LEU 43 OK 100 100 100 100 2.5-3.6 1.8/4546=85, 4845/3.1=76...(14) HB3 MET 11 - HB3 LEU 43 far 0 98 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. Peak 4478 from cnoeabs.peaks (0.53, 0.66, 27.60 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 19 + QD1 LEU 43 OK 90 100 100 90 2.8-3.6 2.1/4703=66, 2.1/4109=50...(4) Violated in 0 structures by 0.00 A. Peak 4479 from cnoeabs.peaks (-0.29, 0.66, 27.60 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 19 + QD1 LEU 43 OK 96 97 100 99 2.6-3.2 4703=95, 2.1/4478=72...(4) HG2 ARG 55 - QD1 LEU 43 far 0 99 0 - 8.3-9.2 HB3 ARG 55 - QD1 LEU 43 far 0 95 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 4480 from cnoeabs.peaks (0.95, 0.66, 27.60 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 48 + QD1 LEU 43 OK 98 100 100 98 2.1-2.7 4577/3.1=49, 4476/3.1=44...(10) QD1 LEU 37 - QD1 LEU 43 far 0 98 0 - 4.9-5.7 Violated in 0 structures by 0.00 A. Peak 4481 from cnoeabs.peaks (1.96, 0.66, 27.60 ppm; 3.97 A): 0 out of 5 assignments used, quality = 0.00: HB ILE 50 - QD1 LEU 43 far 0 78 0 - 5.8-7.6 HD3 ARG 55 - QD1 LEU 43 far 0 95 0 - 7.4-8.4 HD3 LYS 22 - QD1 LEU 43 far 0 100 0 - 8.9-11.2 HB2 ARG 21 - QD1 LEU 43 far 0 99 0 - 9.1-9.8 HB2 ARG 34 - QD1 LEU 43 far 0 83 0 - 9.1-9.7 Violated in 20 structures by 2.23 A. Peak 4482 from cnoeabs.peaks (1.82, 0.66, 27.60 ppm; 5.01 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLN 47 + QD1 LEU 43 OK 100 100 100 100 3.0-3.9 4551=100, 4845/2.1=92...(15) HB3 MET 11 + QD1 LEU 43 OK 76 95 80 100 4.1-5.3 3.0/4720=69, 3.0/4725=68...(12) HD2 LYS 22 - QD1 LEU 43 far 0 100 0 - 8.0-10.7 HB ILE 17 - QD1 LEU 43 far 0 90 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 4483 from cnoeabs.peaks (2.49, 0.66, 27.60 ppm; 4.89 A): 3 out of 5 assignments used, quality = 1.00: HG3 GLN 15 + QD1 LEU 43 OK 100 100 100 100 2.2-3.2 4030=82, 1.8/4026=79...(16) HG3 MET 11 + QD1 LEU 43 OK 100 100 100 100 2.5-4.9 4725=97, 4724/2.1=93...(10) HB2 GLN 15 + QD1 LEU 43 OK 87 92 95 100 4.3-5.0 4021=79, 1.8/4023=74...(6) HG2 GLU 20 - QD1 LEU 43 far 0 68 0 - 8.1-9.7 HB2 ASN 54 - QD1 LEU 43 far 0 93 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4484 from cnoeabs.peaks (1.96, 0.85, 24.31 ppm; 3.41 A): 0 out of 2 assignments used, quality = 0.00: HB ILE 50 - QD2 LEU 43 far 0 85 0 - 6.4-8.1 HD3 ARG 55 - QD2 LEU 43 far 0 90 0 - 9.0-9.8 Violated in 20 structures by 3.63 A. Peak 4487 from cnoeabs.peaks (2.59, 1.23, 47.68 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLN 47 + HB2 LEU 43 OK 100 100 100 100 3.5-4.3 4547=85, 4546/1.8=83...(15) Violated in 0 structures by 0.00 A. Peak 4488 from cnoeabs.peaks (3.61, 1.23, 47.68 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 38 + HB2 LEU 43 OK 100 100 100 100 2.6-3.0 4402=99, 2.1/4473=63...(11) HA VAL 48 - HB2 LEU 43 far 0 90 0 - 4.8-5.4 HA GLU 45 - HB2 LEU 43 far 0 60 0 - 5.8-6.2 HA LEU 19 - HB2 LEU 43 far 0 65 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 4489 from cnoeabs.peaks (3.60, 1.60, 47.68 ppm; 4.52 A increased from 4.26 A): 1 out of 2 assignments used, quality = 0.93: HA ALA 38 + HB3 LEU 43 OK 93 98 95 100 4.0-4.6 4402/1.8=93, 2.1/4475=75...(7) HA VAL 48 - HB3 LEU 43 far 0 71 0 - 4.6-5.3 Violated in 3 structures by 0.01 A. Peak 4490 from cnoeabs.peaks (2.57, 1.60, 47.68 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 47 + HB3 LEU 43 OK 95 95 100 100 2.2-2.7 4546=89, 1.8/4477=73...(15) HG2 GLN 47 + HB3 LEU 43 OK 79 83 95 100 3.6-5.0 3.0/4546=65, 1.8/4555=63...(20) Violated in 0 structures by 0.00 A. Peak 4491 from cnoeabs.peaks (3.61, 0.66, 27.60 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 38 + QD1 LEU 43 OK 100 100 100 100 3.1-3.7 4404=83, 4402/3.1=72...(11) HA VAL 48 + QD1 LEU 43 OK 90 90 100 99 3.4-4.0 3.2/4480=73, 4578=59...(9) HA LEU 19 - QD1 LEU 43 far 0 65 0 - 5.9-6.3 HA GLU 45 - QD1 LEU 43 far 0 60 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 4492 from cnoeabs.peaks (2.39, 0.85, 24.31 ppm; 3.52 A): 1 out of 5 assignments used, quality = 1.00: HG2 MET 11 + QD2 LEU 43 OK 100 100 100 100 2.1-3.5 4719=91, 1.8/4846=64...(12) HG3 GLN 47 - QD2 LEU 43 far 0 95 0 - 4.1-4.8 HG3 GLU 18 - QD2 LEU 43 far 0 89 0 - 8.1-10.0 HG2 GLU 45 - QD2 LEU 43 far 0 99 0 - 8.4-8.8 HD2 ARG 55 - QD2 LEU 43 far 0 89 0 - 9.6-11.0 Violated in 1 structures by 0.00 A. Peak 4493 from cnoeabs.peaks (7.78, 1.47, 26.44 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.96: HE21 GLN 15 + HG LEU 43 OK 96 96 100 100 2.2-3.8 1.7/4037=92, 4033=91...(11) Violated in 0 structures by 0.00 A. Peak 4494 from cnoeabs.peaks (7.80, 0.85, 24.31 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 15 + QD2 LEU 43 OK 100 100 100 100 2.8-3.7 4034=97, 1.7/4041=87...(12) H VAL 16 - QD2 LEU 43 far 0 63 0 - 6.4-7.4 Violated in 0 structures by 0.00 A. Peak 4496 from cnoeabs.peaks (6.89, 0.85, 24.31 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.94: HE21 GLN 47 + QD2 LEU 43 OK 94 95 100 100 2.0-3.1 4558=91, 1.7/4559=84...(9) HD22 ASN 54 - QD2 LEU 43 far 0 96 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 4497 from cnoeabs.peaks (6.69, 0.85, 24.31 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 15 + QD2 LEU 43 OK 100 100 100 100 2.0-2.6 4041=100, 1.7/4034=67...(11) Violated in 0 structures by 0.00 A. Peak 4498 from cnoeabs.peaks (6.70, 1.47, 26.44 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 15 + HG LEU 43 OK 100 100 100 100 2.3-3.1 4037=99, 4041/2.1=94...(11) Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (8.34, 1.28, 21.70 ppm; 5.08 A increased from 4.52 A): 1 out of 3 assignments used, quality = 0.73: H LEU 43 + QG2 THR 44 OK 73 97 100 75 5.0-5.1 4.5/2275=75 H SER 65 - QG2 THR 59 far 4 77 5 - 5.0-14.4 H ARG 21 - QG2 THR 59 far 0 50 0 - 9.8-12.6 Violated in 1 structures by 0.00 A. Peak 4503 from cnoeabs.peaks (7.18, 1.28, 21.70 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.75: QE PHE 23 + QG2 THR 59 OK 75 88 100 85 2.8-4.5 2.2/4504=71...(3) HZ PHE 52 - QG2 THR 59 far 0 89 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 4504 from cnoeabs.peaks (6.94, 1.28, 21.70 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.79: HZ PHE 23 + QG2 THR 59 OK 79 87 100 92 3.0-4.5 2.2/4503=75...(3) Violated in 0 structures by 0.00 A. Peak 4509 from cnoeabs.peaks (2.56, 1.28, 21.70 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.88: HG2 GLN 47 + QG2 THR 44 OK 67 90 100 74 2.6-4.4 4565/691=50, 4554=48 HB2 GLN 47 + QG2 THR 44 OK 64 89 100 72 3.6-4.6 4563/691=54, 3.0/4554=38 Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (1.34, 3.64, 61.08 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.97: QB ALA 38 + HA GLU 45 OK 93 99 100 94 2.7-3.0 4510/3.0=39...(9) HG2 ARG 34 + HA GLU 45 OK 59 100 70 85 2.8-3.6 4513/3.0=35, 1.8/4520=29...(7) Violated in 0 structures by 0.00 A. Peak 4512 from cnoeabs.peaks (0.96, 3.64, 61.08 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.96: QG2 VAL 48 + HA GLU 45 OK 96 99 100 98 3.0-3.5 2.1/3773=77, 714/3772=53...(6) QD1 LEU 37 - HA GLU 45 far 0 100 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 4513 from cnoeabs.peaks (1.34, 2.05, 29.23 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.99: HG2 ARG 34 + HB2 GLU 45 OK 99 100 100 99 3.2-4.2 4517/3.0=53, 3.0/4522=51...(12) QB ALA 38 - HB3 GLU 45 far 0 100 0 - 4.4-4.9 QB ALA 38 - HB2 GLU 45 far 0 100 0 - 4.6-5.0 HG2 ARG 34 - HB3 GLU 45 far 0 100 0 - 4.7-5.4 Violated in 2 structures by 0.00 A. Peak 4514 from cnoeabs.peaks (1.47, 2.40, 37.98 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 35 + HG2 GLU 45 OK 92 92 100 100 2.9-3.8 2.1/4356=87, 4360=81...(10) HB3 LEU 29 - HG2 GLU 45 far 0 97 0 - 8.8-9.9 HG LEU 43 - HG2 GLU 45 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4515 from cnoeabs.peaks (1.33, 2.40, 37.98 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.95: QB ALA 38 + HG2 GLU 45 OK 95 96 100 99 3.0-3.5 4410=90, 4408/1.8=58...(8) HG2 ARG 34 - HG2 GLU 45 far 15 98 15 - 3.6-4.2 Violated in 0 structures by 0.00 A. Peak 4516 from cnoeabs.peaks (1.47, 2.07, 37.98 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.92: QB ALA 35 + HG3 GLU 45 OK 92 92 100 100 2.9-3.6 2.1/4355=96, 4362=81...(10) HB3 LEU 29 - HG3 GLU 45 far 0 97 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 4517 from cnoeabs.peaks (1.33, 2.07, 37.98 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.97: HG2 ARG 34 + HG3 GLU 45 OK 96 98 100 98 2.2-2.8 4513/3.0=43, 1.8/4518=38...(11) QB ALA 38 + HG3 GLU 45 OK 28 96 30 98 3.6-4.0 4515/1.8=72, 4408=55...(7) Violated in 0 structures by 0.00 A. Peak 4518 from cnoeabs.peaks (1.58, 2.07, 37.98 ppm; 5.00 A): 1 out of 5 assignments used, quality = 0.99: HG3 ARG 34 + HG3 GLU 45 OK 99 99 100 100 3.8-4.6 1.8/4517=77, 3.0/4529=65...(11) QB ALA 31 - HG3 GLU 45 far 0 83 0 - 5.9-6.9 HG2 LYS 49 - HG3 GLU 45 far 0 99 0 - 7.0-9.7 HG LEU 37 - HG3 GLU 45 far 0 87 0 - 8.0-8.7 HB3 LEU 43 - HG3 GLU 45 far 0 71 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (1.59, 2.40, 37.98 ppm; 5.54 A increased from 4.93 A): 1 out of 4 assignments used, quality = 1.00: HG3 ARG 34 + HG2 GLU 45 OK 100 100 100 100 5.0-5.5 4518/1.8=81, ~4517=70...(12) HB3 LEU 43 - HG2 GLU 45 far 0 96 0 - 7.4-7.9 HG2 LYS 49 - HG2 GLU 45 far 0 83 0 - 8.4-10.8 HB2 LEU 41 - HG2 GLU 45 far 0 68 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4520 from cnoeabs.peaks (1.58, 3.64, 61.08 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: HG3 ARG 34 + HA GLU 45 OK 100 100 100 100 3.5-4.6 1.8/4813=76, 4812=74...(12) HB3 LEU 43 - HA GLU 45 far 0 81 0 - 5.8-6.2 HG2 LYS 49 - HA GLU 45 far 0 97 0 - 6.6-8.5 HG LEU 37 - HA GLU 45 far 0 78 0 - 7.2-7.9 QB ALA 31 - HA GLU 45 far 0 73 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 4521 from cnoeabs.peaks (1.02, 2.05, 29.23 ppm; 4.93 A): 1 out of 5 assignments used, quality = 0.51: QG1 VAL 16 + HB3 GLU 20 OK 51 51 100 99 4.0-4.8 4764/3.0=76, 4124/3.0=71...(4) QG1 VAL 48 - HB2 GLU 45 far 0 84 0 - 5.7-6.3 QG2 VAL 16 - HB3 GLU 20 far 0 64 0 - 6.4-7.0 QG1 VAL 48 - HB3 GLU 45 far 0 85 0 - 6.5-7.1 QG1 VAL 48 - HB3 GLU 20 far 0 48 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (3.27, 2.04, 29.23 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.90: HD3 ARG 34 + HB2 GLU 45 OK 90 100 90 100 3.2-5.1 3.0/4513=76, 4529/3.0=54...(13) HD3 ARG 34 - HB3 GLU 45 far 10 100 10 - 4.8-6.6 HB2 PHE 52 - HB2 GLU 45 far 0 100 0 - 9.5-11.7 HB3 HIS 13 - HB3 GLU 20 far 0 67 0 - 9.7-11.5 HB3 TRP 51 - HB2 GLU 45 far 0 83 0 - 10.0-11.6 Violated in 4 structures by 0.04 A. Peak 4523 from cnoeabs.peaks (3.98, 2.04, 29.23 ppm; 5.70 A increased from 4.80 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 35 + HB2 GLU 45 OK 100 100 100 100 4.7-5.6 4355/3.0=99, 4356/3.0=95...(10) HA ALA 35 + HB3 GLU 45 OK 100 100 100 100 4.6-5.7 4355/3.0=99, 4356/3.0=95...(10) HB2 SER 24 - HB3 GLU 20 poor 14 58 25 - 5.6-7.3 HB3 SER 24 - HB3 GLU 20 far 3 60 5 - 5.7-7.7 HA GLN 47 - HB2 GLU 45 far 0 71 0 - 7.7-8.1 HA GLN 47 - HB3 GLU 45 far 0 70 0 - 7.9-8.0 Violated in 0 structures by 0.00 A. Peak 4524 from cnoeabs.peaks (4.79, 2.04, 29.23 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.98: HB THR 44 + HB3 GLU 45 OK 98 100 100 98 4.1-4.3 207/694=89, 4799/4.6=72 HB THR 44 - HB2 GLU 45 far 0 100 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 4525 from cnoeabs.peaks (3.98, 2.40, 37.98 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: HA ALA 35 + HG2 GLU 45 OK 100 100 100 100 2.1-3.3 4356=100, 4355/1.8=91...(12) HA GLN 47 - HG2 GLU 45 far 0 81 0 - 8.9-9.3 HA LYS 42 - HG2 GLU 45 far 0 100 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 4526 from cnoeabs.peaks (4.67, 2.40, 37.98 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.90: HA THR 44 + HG2 GLU 45 OK 90 92 100 98 4.1-4.6 3.6/696=86, 4531/213=57...(4) Violated in 0 structures by 0.00 A. Peak 4527 from cnoeabs.peaks (3.98, 2.07, 37.98 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 35 + HG3 GLU 45 OK 100 100 100 100 2.5-3.2 4355=100, 4356/1.8=70...(11) HA GLN 47 - HG3 GLU 45 far 0 81 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 4528 from cnoeabs.peaks (3.54, 2.07, 37.98 ppm; 5.45 A increased from 5.13 A): 1 out of 2 assignments used, quality = 0.99: HD2 ARG 34 + HG3 GLU 45 OK 99 99 100 100 3.4-5.1 4337=97, 1.8/4529=88...(9) HB3 PHE 52 - HG3 GLU 45 far 0 99 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 4529 from cnoeabs.peaks (3.26, 2.07, 37.98 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.96: HD3 ARG 34 + HG3 GLU 45 OK 96 97 100 100 3.0-5.1 1.8/4337=76, 3.0/4517=70...(8) HB2 PHE 52 - HG3 GLU 45 far 0 90 0 - 9.6-12.4 Violated in 1 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (1.68, 3.90, 66.50 ppm; 4.50 A increased from 4.24 A): 2 out of 3 assignments used, quality = 0.96: HG13 ILE 50 + HA THR 46 OK 87 99 90 98 3.7-6.1 4537/2312=77...(6) HD3 LYS 49 + HA THR 46 OK 69 87 80 99 3.2-6.4 3.7/3778=71, 3.7/3780=65...(8) HD2 LYS 49 - HA THR 46 far 13 85 15 - 3.1-6.2 Violated in 1 structures by 0.01 A. Peak 4533 from cnoeabs.peaks (2.97, 3.90, 66.50 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.93: HE2 LYS 49 + HA THR 46 OK 77 97 80 98 2.5-6.2 4.8/3778=63, 4.8/3780=59...(7) HE3 LYS 49 + HA THR 46 OK 72 97 75 98 2.5-5.9 4.8/3778=63, 4.8/3780=59...(7) Violated in 3 structures by 0.03 A. Peak 4534 from cnoeabs.peaks (1.58, 3.90, 66.50 ppm; 5.23 A increased from 4.92 A): 1 out of 4 assignments used, quality = 0.99: HG2 LYS 49 + HA THR 46 OK 99 99 100 100 4.4-5.2 3.0/3778=95, 3.0/3780=90...(9) HG3 ARG 34 - HA THR 46 far 0 98 0 - 6.4-7.8 HB3 LEU 43 - HA THR 46 far 0 68 0 - 7.7-8.1 QB ALA 31 - HA THR 46 far 0 85 0 - 9.5-10.9 Violated in 2 structures by 0.00 A. Peak 4535 from cnoeabs.peaks (1.36, 3.90, 66.50 ppm; 4.88 A): 0 out of 2 assignments used, quality = 0.00: HG2 ARG 34 - HA THR 46 far 0 78 0 - 5.7-7.3 QB ALA 38 - HA THR 46 far 0 85 0 - 6.1-6.7 Violated in 20 structures by 0.99 A. Peak 4536 from cnoeabs.peaks (2.96, 1.25, 21.98 ppm; 5.29 A increased from 4.45 A): 2 out of 2 assignments used, quality = 0.95: HE3 LYS 49 + QG2 THR 46 OK 79 93 90 95 2.8-5.6 4.8/4584=57, 4.8/4585=51...(6) HE2 LYS 49 + QG2 THR 46 OK 75 93 85 95 2.7-5.8 4.8/4584=57, 4.8/4585=51...(6) Violated in 0 structures by 0.00 A. Peak 4537 from cnoeabs.peaks (1.68, 1.25, 21.98 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.85: HG13 ILE 50 + QG2 THR 46 OK 85 99 100 86 2.8-3.6 2.1/4538=75, ~4007=25...(4) HD3 LYS 49 - QG2 THR 46 far 4 87 5 - 3.6-6.3 HD2 LYS 49 - QG2 THR 46 far 0 85 0 - 3.9-6.4 Violated in 2 structures by 0.00 A. Peak 4538 from cnoeabs.peaks (0.79, 1.25, 21.98 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.82: QD1 ILE 50 + QG2 THR 46 OK 82 97 100 85 1.8-2.8 2.1/4537=57...(6) Violated in 0 structures by 0.00 A. Peak 4542 from cnoeabs.peaks (1.25, 3.96, 59.66 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 46 + HA GLN 47 OK 98 100 100 98 3.3-3.8 218/3.0=71, 4538/4603=55...(6) HB2 LEU 43 - HA GLN 47 far 0 65 0 - 6.2-7.1 HG LEU 19 - HA GLN 47 far 0 96 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 4543 from cnoeabs.peaks (0.91, 3.96, 59.66 ppm; 4.81 A increased from 4.28 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 50 + HA GLN 47 OK 99 99 100 100 4.3-4.6 2.1/3785=96...(6) QD2 LEU 37 - HA GLN 47 far 0 96 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4544 from cnoeabs.peaks (0.80, 3.96, 59.66 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 50 + HA GLN 47 OK 100 100 100 100 2.0-3.9 4603=99, 3.2/3785=68...(8) Violated in 0 structures by 0.00 A. Peak 4545 from cnoeabs.peaks (1.93, 2.58, 29.96 ppm; 4.71 A): 0 out of 3 assignments used, quality = 0.00: HB ILE 50 - HB2 GLN 47 far 0 100 0 - 5.6-5.9 HB3 LYS 39 - HB2 GLN 47 far 0 98 0 - 9.2-10.2 HB2 ARG 34 - HB2 GLN 47 far 0 100 0 - 9.7-10.7 Violated in 20 structures by 1.07 A. Peak 4546 from cnoeabs.peaks (1.59, 2.58, 29.96 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 43 + HB2 GLN 47 OK 99 99 100 100 2.2-2.7 1.8/4487=72, 4477/1.8=67...(16) HB2 LEU 41 - HB2 GLN 47 far 0 78 0 - 6.5-7.0 HG3 ARG 34 - HB2 GLN 47 far 0 98 0 - 7.1-8.3 HG2 LYS 49 - HB2 GLN 47 far 0 73 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 4547 from cnoeabs.peaks (1.24, 2.58, 29.96 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.93: HB2 LEU 43 + HB2 GLN 47 OK 93 93 100 100 3.5-4.3 4487=89, 1.8/4546=86...(15) QG2 THR 46 - HB2 GLN 47 far 0 97 0 - 5.0-5.4 HG LEU 19 - HB2 GLN 47 far 0 100 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 4548 from cnoeabs.peaks (0.85, 2.58, 29.96 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 43 + HB2 GLN 47 OK 99 99 100 100 3.1-4.0 4845/1.8=91, 3.1/4546=66...(16) Violated in 0 structures by 0.00 A. Peak 4549 from cnoeabs.peaks (0.64, 2.58, 29.96 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 43 + HB2 GLN 47 OK 90 90 100 100 3.6-4.1 2.1/4548=90, 3.1/4546=81...(14) Violated in 0 structures by 0.00 A. Peak 4550 from cnoeabs.peaks (0.85, 1.83, 29.96 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 43 + HB3 GLN 47 OK 100 100 100 100 2.9-3.9 4845=100, 4548/1.8=64...(16) Violated in 0 structures by 0.00 A. Peak 4551 from cnoeabs.peaks (0.66, 1.83, 29.96 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HB3 GLN 47 OK 100 100 100 100 3.0-3.9 2.1/4845=86, 3.1/4477=59...(15) Violated in 0 structures by 0.00 A. Peak 4552 from cnoeabs.peaks (0.95, 1.83, 29.96 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + HB3 GLN 47 OK 100 100 100 100 3.8-4.2 714/222=78, 4539/705=71...(6) QD1 LEU 37 - HB3 GLN 47 far 0 96 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 4553 from cnoeabs.peaks (1.25, 1.83, 29.96 ppm; 5.03 A increased from 4.47 A): 1 out of 3 assignments used, quality = 0.65: HB2 LEU 43 + HB3 GLN 47 OK 65 65 100 100 4.0-5.0 1.8/4477=86, 3.1/4845=82...(14) QG2 THR 46 - HB3 GLN 47 far 0 100 0 - 5.3-5.7 HG LEU 19 - HB3 GLN 47 far 0 96 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 4554 from cnoeabs.peaks (1.27, 2.55, 35.63 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.91: QG2 THR 44 + HG2 GLN 47 OK 79 99 100 80 2.6-4.4 691/4565=54, 4509=39 QG2 THR 46 + HG2 GLN 47 OK 59 73 95 85 3.6-4.7 4.3/706=67, 4542/2325=38 HG12 ILE 50 - HG2 GLN 47 far 0 93 0 - 5.4-7.9 Violated in 0 structures by 0.00 A. Peak 4555 from cnoeabs.peaks (1.60, 2.40, 35.63 ppm; 5.14 A increased from 4.57 A): 1 out of 7 assignments used, quality = 1.00: HB3 LEU 43 + HG3 GLN 47 OK 100 100 100 100 3.8-5.1 4546/3.0=76, 4477/3.0=74...(20) HG3 ARG 21 - HG3 GLU 18 far 0 60 0 - 5.4-8.0 HB3 GLN 15 - HG3 GLU 18 far 0 29 0 - 5.5-7.9 HB2 LEU 41 - HG3 GLU 18 far 0 52 0 - 6.7-8.2 HB2 LEU 41 - HG3 GLN 47 far 0 95 0 - 8.2-9.4 HG3 ARG 34 - HG3 GLN 47 far 0 87 0 - 9.6-10.8 HB3 GLN 15 - HG3 GLN 47 far 0 60 0 - 10.0-11.4 Violated in 2 structures by 0.00 A. Peak 4556 from cnoeabs.peaks (1.24, 2.40, 35.63 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.86: QG2 THR 46 + HG3 GLN 47 OK 86 99 100 86 4.1-4.4 218/707=64, 4542/2326=58 HB2 LEU 43 - HG3 GLN 47 far 0 87 0 - 5.4-6.9 HG LEU 19 - HG3 GLU 18 far 0 59 0 - 5.5-6.5 HB2 LEU 43 - HG3 GLU 18 far 0 46 0 - 9.8-10.9 Violated in 4 structures by 0.00 A. Peak 4561 from cnoeabs.peaks (0.83, 2.40, 35.63 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.61: QD2 LEU 43 + HG3 GLN 47 OK 42 76 55 100 4.1-4.8 4834/1.8=54, 3.1/4555=50...(17) QG2 ILE 17 + HG3 GLU 18 OK 34 35 100 96 3.6-4.5 2.1/4069=59, 4.3/531=58...(7) QD2 LEU 43 - HG3 GLU 18 far 0 38 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 4563 from cnoeabs.peaks (8.83, 2.58, 29.96 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.98: H THR 44 + HB2 GLN 47 OK 98 98 100 100 2.0-2.6 4506/1.8=79, 4507/3.0=58...(11) Violated in 0 structures by 0.00 A. Peak 4564 from cnoeabs.peaks (8.84, 1.83, 29.96 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: H THR 44 + HB3 GLN 47 OK 100 100 100 100 3.3-4.1 4506=92, 4563/1.8=62...(11) Violated in 1 structures by 0.00 A. Peak 4565 from cnoeabs.peaks (8.83, 2.55, 35.63 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.98: H THR 44 + HG2 GLN 47 OK 98 98 100 100 2.4-4.3 4507/1.8=83...(9) Violated in 0 structures by 0.00 A. Peak 4566 from cnoeabs.peaks (8.84, 2.40, 35.63 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: H THR 44 + HG3 GLN 47 OK 100 100 100 100 2.7-4.5 4507=99, 4564/3.0=76...(8) Violated in 0 structures by 0.00 A. Peak 4567 from cnoeabs.peaks (7.52, 1.00, 23.57 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.95: QE PHE 52 + QG1 VAL 48 OK 95 96 100 100 2.0-2.5 4731=96, 2.2/4792=74...(5) H GLN 15 - QG2 VAL 16 far 0 47 0 - 4.0-4.5 QE PHE 52 - QG2 VAL 16 far 0 45 0 - 8.0-8.8 HE22 GLN 53 - QG1 VAL 48 far 0 92 0 - 8.2-10.4 H TYR 28 - QG1 VAL 48 far 0 93 0 - 8.3-9.2 H GLN 15 - QG1 VAL 48 far 0 97 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 4569 from cnoeabs.peaks (1.96, 3.63, 67.46 ppm; 5.63 A increased from 5.00 A): 1 out of 3 assignments used, quality = 0.80: HB ILE 50 + HA VAL 48 OK 80 85 100 94 5.0-5.6 4.4/1032=79...(3) HD3 ARG 55 - HA VAL 48 far 0 90 0 - 7.1-8.4 HB2 ARG 34 - HA VAL 48 far 0 89 0 - 8.2-8.8 Violated in 1 structures by 0.00 A. Peak 4570 from cnoeabs.peaks (1.33, 2.16, 32.06 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 34 + HB VAL 48 OK 98 98 100 100 3.1-4.0 1.8/4571=71, 4331/2.1=60...(11) QB ALA 38 + HB VAL 48 OK 96 96 100 100 3.0-3.5 4576/2.1=90, 4409=82...(9) Violated in 0 structures by 0.00 A. Peak 4571 from cnoeabs.peaks (1.58, 2.16, 32.06 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.98: HG3 ARG 34 + HB VAL 48 OK 98 98 100 100 2.6-3.4 4329/2.1=78, 1.8/4339=62...(12) HB3 LEU 43 - HB VAL 48 far 0 68 0 - 5.1-5.9 HG LEU 37 - HB VAL 48 far 0 89 0 - 5.5-6.3 HG2 LYS 49 - HB VAL 48 far 0 99 0 - 6.1-6.9 QB ALA 31 - HB VAL 48 far 0 85 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4572 from cnoeabs.peaks (1.91, 2.16, 32.06 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.69: HB3 LYS 49 + HB VAL 48 OK 69 71 100 97 4.2-4.5 4.0/229=78, ~4583=50...(5) HB3 LYS 39 - HB VAL 48 far 0 87 0 - 8.7-9.3 HB2 GLU 33 - HB VAL 48 far 0 76 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 4573 from cnoeabs.peaks (1.56, 1.00, 23.57 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.89: HG3 ARG 34 + QG1 VAL 48 OK 78 78 100 99 2.0-2.8 4329=52, 4571/2.1=46...(14) HG LEU 37 + QG1 VAL 48 OK 51 100 95 53 3.0-3.8 4381/4825=39...(3) HG2 LYS 49 - QG1 VAL 48 far 0 99 0 - 5.8-6.4 HD3 LYS 58 - QG2 VAL 16 far 0 31 0 - 7.3-10.7 HG3 LYS 39 - QG1 VAL 48 far 0 85 0 - 7.4-9.1 HD2 LYS 58 - QG2 VAL 16 far 0 31 0 - 7.6-11.2 QB ALA 31 - QG1 VAL 48 far 0 99 0 - 7.9-8.5 HG LEU 37 - QG2 VAL 16 far 0 50 0 - 8.9-9.6 HB3 LYS 27 - QG1 VAL 48 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 4574 from cnoeabs.peaks (1.33, 1.00, 23.57 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.99: HG2 ARG 34 + QG1 VAL 48 OK 93 93 100 100 2.9-4.0 1.8/4329=79, 4331=64...(11) QB ALA 38 + QG1 VAL 48 OK 88 89 100 100 3.1-3.7 4576/2.1=91, 4409/2.1=58...(8) QB ALA 38 - QG2 VAL 16 far 0 40 0 - 8.8-9.5 HD3 LYS 27 - QG1 VAL 48 far 0 99 0 - 8.8-10.3 HG2 LYS 42 - QG1 VAL 48 far 0 65 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 4575 from cnoeabs.peaks (1.58, 0.95, 23.79 ppm; 3.86 A): 3 out of 5 assignments used, quality = 0.97: HB3 LEU 43 + QG2 VAL 48 OK 80 81 100 100 2.7-3.5 1.8/4577=81, 4476=67...(11) HG3 ARG 34 + QG2 VAL 48 OK 75 100 75 100 3.0-4.1 4329/2.1=67, 4571/2.1=59...(13) HG LEU 37 + QG2 VAL 48 OK 47 78 95 64 3.3-4.0 159/161=35, 4573/2.1=22...(4) HG2 LYS 49 - QG2 VAL 48 far 0 97 0 - 7.1-7.6 QB ALA 31 - QG2 VAL 48 far 0 73 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 4576 from cnoeabs.peaks (1.33, 0.95, 23.79 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.95: QB ALA 38 + QG2 VAL 48 OK 95 96 100 100 1.8-1.9 4405=93, 2.1/4403=59...(13) HG2 ARG 34 - QG2 VAL 48 far 0 98 0 - 3.8-4.6 HG2 LYS 42 - QG2 VAL 48 far 0 78 0 - 7.7-9.5 HG3 LYS 42 - QG2 VAL 48 far 0 78 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 4577 from cnoeabs.peaks (1.22, 0.95, 23.79 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.98: HB2 LEU 43 + QG2 VAL 48 OK 98 98 100 100 2.4-2.9 4472=79, 1.8/4476=64...(12) HG LEU 19 - QG2 VAL 48 far 0 73 0 - 4.3-5.3 HB2 LEU 29 - QG2 VAL 48 far 0 68 0 - 6.4-7.5 QG2 THR 14 - QG2 VAL 48 far 0 98 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4578 from cnoeabs.peaks (0.65, 3.63, 67.46 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 43 + HA VAL 48 OK 100 100 100 100 3.4-4.0 4480/2365=87...(9) HB2 ARG 55 - HA VAL 48 far 0 100 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 4579 from cnoeabs.peaks (0.52, 3.63, 67.46 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 19 + HA VAL 48 OK 92 92 100 100 2.7-3.6 4825/3.2=73, 2.1/4580=66...(11) Violated in 0 structures by 0.00 A. Peak 4580 from cnoeabs.peaks (-0.28, 3.63, 67.46 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HA VAL 48 OK 100 100 100 100 2.9-4.3 2.1/4579=85...(10) HB3 ARG 55 - HA VAL 48 far 0 100 0 - 8.1-10.6 HG2 ARG 55 - HA VAL 48 far 0 100 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 4581 from cnoeabs.peaks (0.14, 1.00, 23.57 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 29 + QG1 VAL 48 OK 95 97 100 98 2.5-3.3 4230=84, 4326/4853=43...(8) QD1 LEU 29 - QG2 VAL 16 far 0 46 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 4583 from cnoeabs.peaks (0.99, 4.33, 59.98 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 48 + HA LYS 49 OK 99 99 100 100 3.4-3.8 4854=96, 230/3.0=66...(9) QD1 LEU 37 - HA LYS 49 far 0 63 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 4584 from cnoeabs.peaks (1.26, 2.13, 33.10 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 46 + HB2 LYS 49 OK 99 99 100 100 3.4-4.0 3.2/3778=84...(9) QG2 THR 44 - HB2 LYS 49 far 0 71 0 - 8.0-8.5 HB2 LEU 29 - HB2 LYS 49 far 0 92 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 4585 from cnoeabs.peaks (1.24, 1.88, 33.10 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.87: QG2 THR 46 + HB3 LYS 49 OK 87 97 90 100 4.4-5.2 3.2/3780=83, 4584/1.8=63...(7) HB2 LEU 29 - HB3 LYS 49 far 0 100 0 - 7.6-8.9 HB2 LEU 43 - HB3 LYS 49 far 0 93 0 - 9.0-9.5 Violated in 3 structures by 0.02 A. Peak 4586 from cnoeabs.peaks (0.63, 1.57, 24.91 ppm; 4.52 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 43 - HG2 LYS 49 far 0 63 0 - 9.4-10.1 HB2 ARG 55 - HG2 LYS 49 far 0 76 0 - 9.4-12.2 Violated in 20 structures by 4.61 A. Peak 4591 from cnoeabs.peaks (3.27, 2.13, 33.10 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: HD3 ARG 34 + HB2 LYS 49 OK 100 100 100 100 4.0-4.9 4593/1.8=93, 4342/3.0=72...(7) HB2 PHE 52 - HB2 LYS 49 far 0 99 0 - 5.7-7.8 HB3 TRP 51 - HB2 LYS 49 far 0 76 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 4592 from cnoeabs.peaks (3.54, 1.88, 33.10 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.84: HD2 ARG 34 + HB3 LYS 49 OK 84 100 85 99 3.2-4.5 1.8/4593=81, 4340/3.0=57...(8) HB3 PHE 52 - HB3 LYS 49 far 0 96 0 - 5.6-7.3 Violated in 4 structures by 0.02 A. Peak 4593 from cnoeabs.peaks (3.27, 1.88, 33.10 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.99: HD3 ARG 34 + HB3 LYS 49 OK 99 100 100 99 2.4-3.4 1.8/4592=72, 4591/1.8=59...(8) HB2 PHE 52 - HB3 LYS 49 far 0 99 0 - 5.2-7.6 HB3 TRP 51 - HB3 LYS 49 far 0 76 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 4594 from cnoeabs.peaks (6.94, 3.77, 64.05 ppm; 4.95 A): 1 out of 2 assignments used, quality = 0.98: HE21 GLN 53 + HA ILE 50 OK 98 99 100 99 2.4-5.0 4.4/3804=70, 4.4/3806=67...(7) HE3 TRP 51 - HA ILE 50 far 0 60 0 - 7.3-7.7 Violated in 2 structures by 0.00 A. Peak 4596 from cnoeabs.peaks (7.49, 0.91, 17.21 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: HD21 ASN 54 + QG2 ILE 50 OK 100 100 100 100 2.1-3.5 4660=100, 1.7/4661=93...(8) HE22 GLN 53 - QG2 ILE 50 far 9 93 10 - 2.9-7.2 Violated in 0 structures by 0.00 A. Peak 4597 from cnoeabs.peaks (6.90, 0.91, 17.21 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.99: HD22 ASN 54 + QG2 ILE 50 OK 99 99 100 100 2.1-3.1 4661=99, 1.7/4660=81...(7) HE21 GLN 47 - QG2 ILE 50 far 0 99 0 - 6.5-8.5 Violated in 0 structures by 0.00 A. Peak 4598 from cnoeabs.peaks (8.04, 0.80, 12.55 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.93: H GLN 47 + QD1 ILE 50 OK 93 93 100 100 3.7-5.3 3.0/4603=86, 4.3/4538=76...(8) H GLN 53 - QD1 ILE 50 far 10 100 10 - 5.0-6.9 Violated in 2 structures by 0.00 A. Peak 4599 from cnoeabs.peaks (6.91, 0.80, 12.55 ppm; 5.90 A increased from 4.97 A): 2 out of 3 assignments used, quality = 1.00: HD22 ASN 54 + QD1 ILE 50 OK 100 100 100 100 4.4-5.7 4661/2491=100, ~4660=80...(5) HE21 GLN 47 + QD1 ILE 50 OK 25 100 30 82 5.1-7.8 2327/4544=68, 6.9/4598=43 HE21 GLN 53 - QD1 ILE 50 poor 11 76 60 24 3.1-7.6 4594/2507=21 Violated in 0 structures by 0.00 A. Peak 4600 from cnoeabs.peaks (2.35, 3.77, 64.05 ppm; 5.40 A increased from 4.55 A): 1 out of 1 assignment used, quality = 0.90: HG3 GLN 53 + HA ILE 50 OK 90 90 100 100 2.6-5.2 3.0/3804=96, 1.8/4601=95...(8) Violated in 0 structures by 0.00 A. Peak 4601 from cnoeabs.peaks (2.43, 3.77, 64.05 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.97: HG2 GLN 53 + HA ILE 50 OK 97 97 100 100 2.4-4.5 3.0/3804=85, 3.0/3806=82...(9) HD2 ARG 55 - HA ILE 50 far 0 83 0 - 7.0-8.8 HG3 GLN 47 - HA ILE 50 far 0 73 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 4602 from cnoeabs.peaks (3.98, 0.91, 17.21 ppm; 4.74 A increased from 4.46 A): 1 out of 1 assignment used, quality = 0.66: HA GLN 47 + QG2 ILE 50 OK 66 68 100 97 4.3-4.6 3785/2.1=53, 4543=52...(6) Violated in 0 structures by 0.00 A. Peak 4603 from cnoeabs.peaks (3.95, 0.80, 12.55 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 47 + QD1 ILE 50 OK 100 100 100 100 2.0-3.9 4544=99, 3785/3.2=67...(8) HA GLN 53 - QD1 ILE 50 far 0 90 0 - 6.3-8.4 Violated in 0 structures by 0.00 A. Peak 4604 from cnoeabs.peaks (2.98, 0.80, 12.55 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.38: HE3 LYS 49 + QD1 ILE 50 OK 21 100 35 60 2.6-6.7 4.8/4605=48, 4536/4538=22 HE2 LYS 49 + QD1 ILE 50 OK 21 100 35 60 3.4-6.8 4.8/4605=48, 4536/4538=21 Violated in 8 structures by 0.28 A. Peak 4605 from cnoeabs.peaks (2.13, 0.80, 12.55 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.99: HB2 LYS 49 + QD1 ILE 50 OK 99 100 100 99 3.2-4.6 234/2506=62, 4608/2.1=54...(8) HB2 GLN 53 - QD1 ILE 50 far 7 71 10 - 3.8-7.2 Violated in 4 structures by 0.01 A. Peak 4607 from cnoeabs.peaks (2.14, 0.91, 17.21 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.99: HB2 GLN 53 + QG2 ILE 50 OK 99 99 100 100 3.2-4.8 3804/2474=85...(10) HB2 LYS 49 - QG2 ILE 50 far 0 90 0 - 5.3-5.5 HB VAL 48 - QG2 ILE 50 far 0 81 0 - 7.6-7.8 Violated in 1 structures by 0.00 A. Peak 4608 from cnoeabs.peaks (2.13, 1.29, 29.13 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.99: HB2 LYS 49 + HG12 ILE 50 OK 99 100 100 99 3.6-4.9 4605/2.1=81, 234/729=75...(5) HB2 GLN 53 + HG12 ILE 50 OK 23 81 35 81 4.8-6.4 4607/3.2=54...(3) Violated in 0 structures by 0.00 A. Peak 4609 from cnoeabs.peaks (2.12, 1.94, 37.64 ppm; 5.21 A increased from 4.90 A): 1 out of 1 assignment used, quality = 0.96: HB2 LYS 49 + HB ILE 50 OK 96 97 100 99 4.7-5.2 234/727=88, 4605/3.2=74...(5) Violated in 2 structures by 0.00 A. Peak 4610 from cnoeabs.peaks (0.02, 0.80, 12.55 ppm; 4.49 A): 0 out of 0 assignments used, quality = 0.00: Peak 4611 from cnoeabs.peaks (1.95, 4.02, 63.12 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.99: HB ILE 50 + HA TRP 51 OK 96 96 100 100 4.1-4.3 244/2.9=87, 2.1/4623=87...(13) HD3 ARG 55 + HA TRP 51 OK 71 76 100 94 3.1-4.4 4677/4572=67...(6) Violated in 0 structures by 0.00 A. Peak 4612 from cnoeabs.peaks (1.94, 3.50, 29.17 ppm; 5.43 A increased from 4.57 A): 2 out of 3 assignments used, quality = 1.00: HB ILE 50 + HB2 TRP 51 OK 99 99 100 100 4.9-5.4 4614/1.8=94, 244/734=94...(6) HD3 ARG 55 + HB2 TRP 51 OK 62 63 100 98 4.3-5.5 4615/3.9=75, 4619/5.3=57...(7) HB2 ARG 34 - HB2 TRP 51 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 4613 from cnoeabs.peaks (3.01, 3.29, 29.17 ppm; 4.99 A): 0 out of 2 assignments used, quality = 0.00: HE2 LYS 49 - HB3 TRP 51 far 0 65 0 - 8.3-11.3 HE3 LYS 49 - HB3 TRP 51 far 0 65 0 - 8.5-11.2 Violated in 20 structures by 3.64 A. Peak 4614 from cnoeabs.peaks (1.94, 3.29, 29.17 ppm; 4.69 A increased from 4.17 A): 1 out of 1 assignment used, quality = 0.98: HB ILE 50 + HB3 TRP 51 OK 98 100 100 98 4.0-4.5 244/735=84, ~4623=46...(6) Violated in 0 structures by 0.00 A. Peak 4615 from cnoeabs.peaks (1.95, 7.14, 127.21 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.77: HD3 ARG 55 + HD1 TRP 51 OK 77 81 100 96 3.2-3.3 4619/2.6=68...(9) HB ILE 50 - HD1 TRP 51 far 0 90 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 4621 from cnoeabs.peaks (0.93, 3.29, 29.17 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.96: QG2 ILE 50 + HB3 TRP 51 OK 82 83 100 99 4.5-4.9 2.1/4614=84, 4.3/735=78...(5) QG2 VAL 48 + HB3 TRP 51 OK 77 87 90 99 4.5-5.4 3.2/3793=81, 4622/1.8=61...(5) QD2 LEU 37 - HB3 TRP 51 far 0 90 0 - 6.7-7.5 QD1 LEU 37 - HB3 TRP 51 far 0 60 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 4622 from cnoeabs.peaks (0.95, 3.50, 29.17 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 48 + HB2 TRP 51 OK 99 100 100 99 4.4-5.1 2365/3790=83, ~3793=58...(6) QD1 LEU 37 - HB2 TRP 51 far 0 96 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 4623 from cnoeabs.peaks (0.91, 4.02, 63.12 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 50 + HA TRP 51 OK 100 100 100 100 3.4-3.7 245/2.9=73, 4660/4664=47...(17) QD2 LEU 37 - HA TRP 51 far 0 99 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 4625 from cnoeabs.peaks (3.76, 6.97, 121.43 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.85: HA PHE 52 + HE3 TRP 51 OK 85 85 100 100 2.4-2.8 4794=98, 2.9/254=78...(10) HA ILE 50 - HE3 TRP 51 far 0 85 0 - 7.3-7.7 HA ARG 34 - HE3 TRP 51 far 0 57 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 4626 from cnoeabs.peaks (7.72, 3.50, 29.17 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.72: QD PHE 52 + HB2 TRP 51 OK 72 76 100 95 2.8-3.2 747/4.3=54, 4098/4114=53...(6) H ARG 56 - HB2 TRP 51 far 0 76 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 4627 from cnoeabs.peaks (7.73, 6.97, 121.43 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.78: QD PHE 52 + HE3 TRP 51 OK 78 78 100 100 2.5-2.8 2.2/4701=94, 3.7/4794=86...(10) H ARG 56 - HE3 TRP 51 far 0 78 0 - 5.9-6.8 H THR 59 - HE3 TRP 51 far 0 85 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 4628 from cnoeabs.peaks (4.23, 6.44, 123.75 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.84: HA GLU 20 + HH2 TRP 51 OK 84 84 100 100 2.0-2.3 4131=98, 4684/2.5=68...(11) Violated in 0 structures by 0.00 A. Peak 4629 from cnoeabs.peaks (2.45, 7.25, 114.23 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.96: HG2 GLU 20 + HZ2 TRP 51 OK 90 90 100 100 2.1-2.7 4132=83, 1.8/4133=73...(10) HG3 GLU 20 + HZ2 TRP 51 OK 64 64 100 100 2.6-3.9 1.8/4132=75, ~4691=52...(10) HB2 ASN 54 - HZ2 TRP 51 far 0 64 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 4630 from cnoeabs.peaks (1.97, 7.25, 114.23 ppm; 5.11 A): 1 out of 8 assignments used, quality = 0.98: HD3 ARG 55 + HZ2 TRP 51 OK 98 98 100 100 3.7-4.0 4619/2.8=80, 4836=78...(11) HB2 MET 11 - HZ2 TRP 51 far 0 64 0 - 7.1-9.3 HB2 GLU 18 - HZ2 TRP 51 far 0 67 0 - 7.4-7.9 HB2 ARG 21 - HZ2 TRP 51 far 0 98 0 - 7.8-8.8 HB3 GLU 67 - HZ2 TRP 51 far 0 93 0 - 8.0-34.9 HB3 GLU 18 - HZ2 TRP 51 far 0 67 0 - 8.1-9.0 HB3 ARG 21 - HZ2 TRP 51 far 0 98 0 - 9.1-10.1 HD3 LYS 22 - HZ2 TRP 51 far 0 94 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 4631 from cnoeabs.peaks (1.02, 7.25, 114.23 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.93: QG1 VAL 16 + HZ2 TRP 51 OK 93 93 100 100 2.0-2.9 4043=92, 4048/2.8=57...(16) QG2 VAL 16 - HZ2 TRP 51 far 10 95 10 - 4.1-4.9 QG1 VAL 48 - HZ2 TRP 51 far 0 67 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4634 from cnoeabs.peaks (7.17, 7.53, 132.28 ppm; 4.43 A): 0 out of 0 assignments used, quality = 0.00: Peak 4635 from cnoeabs.peaks (7.17, 7.18, 59.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 52 + HZ PHE 52 OK 99 99 - 100 Peak 4636 from cnoeabs.peaks (7.52, 7.18, 59.08 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 52 + HZ PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 H TYR 28 - HZ PHE 52 far 0 81 0 - 6.5-7.9 H GLU 18 - HZ PHE 52 far 0 63 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 4637 from cnoeabs.peaks (7.72, 7.18, 59.08 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.78: QD PHE 52 + HZ PHE 52 OK 78 78 100 100 3.8-3.8 3.8=100 H ARG 56 - HZ PHE 52 far 0 78 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 4638 from cnoeabs.peaks (4.74, 7.18, 59.08 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.94: HA PHE 23 + HZ PHE 52 OK 94 95 100 100 3.4-4.6 4703/2.2=91, 3.0/567=75...(5) HA TYR 28 - HZ PHE 52 far 0 71 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 4640 from cnoeabs.peaks (2.38, 7.18, 59.08 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: HB3 LYS 22 + HZ PHE 52 OK 100 100 100 100 2.1-2.9 4142=100, 1.8/4141=79...(9) HD2 ARG 55 - HZ PHE 52 far 0 73 0 - 9.0-10.4 HG3 GLN 53 - HZ PHE 52 far 0 92 0 - 9.6-12.8 HG3 GLU 18 - HZ PHE 52 far 0 73 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 4641 from cnoeabs.peaks (2.04, 7.18, 59.08 ppm; 5.07 A): 1 out of 5 assignments used, quality = 0.92: HB2 LYS 22 + HZ PHE 52 OK 92 92 100 100 2.9-4.4 1.8/4142=94, 4141=87...(8) HB2 GLN 26 - HZ PHE 52 far 0 85 0 - 7.2-8.4 HB3 GLN 26 - HZ PHE 52 far 0 85 0 - 7.5-8.5 HB3 GLU 20 - HZ PHE 52 far 0 100 0 - 8.0-9.2 HB3 ARG 56 - HZ PHE 52 far 0 100 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 4642 from cnoeabs.peaks (1.68, 7.18, 59.08 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 22 + HZ PHE 52 OK 100 100 100 100 3.5-4.1 1.8/4144=74, 4145=73...(9) HB2 LEU 37 - HZ PHE 52 far 0 89 0 - 5.7-6.8 HD2 LYS 49 - HZ PHE 52 far 0 78 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 4643 from cnoeabs.peaks (0.93, 7.18, 59.08 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 37 + HZ PHE 52 OK 97 97 100 100 2.6-3.5 4705/2.2=92, 4392=62...(10) QG2 VAL 48 - HZ PHE 52 far 0 76 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 4644 from cnoeabs.peaks (0.95, 7.53, 132.28 ppm; 5.30 A): 0 out of 0 assignments used, quality = 0.00: Peak 4645 from cnoeabs.peaks (0.98, 7.75, 131.98 ppm; 5.25 A): 0 out of 0 assignments used, quality = 0.00: Peak 4646 from cnoeabs.peaks (0.52, 7.53, 132.28 ppm; 4.97 A): 0 out of 0 assignments used, quality = 0.00: Peak 4647 from cnoeabs.peaks (0.46, 7.18, 59.08 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HZ PHE 52 OK 100 100 100 100 3.4-4.0 4254=100, 4252/2.2=82...(11) Violated in 0 structures by 0.00 A. Peak 4648 from cnoeabs.peaks (0.15, 7.18, 59.08 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HZ PHE 52 OK 100 100 100 100 1.9-2.6 4249=98, 2.1/4254=90...(13) Violated in 0 structures by 0.00 A. Peak 4649 from cnoeabs.peaks (3.79, 3.94, 59.15 ppm; 5.59 A increased from 4.71 A): 1 out of 1 assignment used, quality = 0.90: HA ILE 50 + HA GLN 53 OK 90 90 100 100 5.2-5.6 3804/3.0=84, 3806/3.0=82...(8) Violated in 0 structures by 0.00 A. Peak 4650 from cnoeabs.peaks (3.78, 2.44, 33.72 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 50 + HG2 GLN 53 OK 100 100 100 100 2.4-4.5 4601=94, 3804/3.0=90...(9) HA PHE 52 - HG2 GLN 53 far 0 78 0 - 5.1-7.3 Violated in 0 structures by 0.00 A. Peak 4652 from cnoeabs.peaks (3.13, 2.37, 33.72 ppm; 6.00 A): 0 out of 4 assignments used, quality = 0.00: HD2 ARG 61 - HG3 GLN 63 poor 17 87 20 - 3.6-12.5 HD2 ARG 61 - HG2 GLN 63 poor 17 83 20 - 4.8-12.2 HD3 ARG 61 - HG3 GLN 63 far 13 87 15 - 4.2-11.7 HD3 ARG 61 - HG2 GLN 63 far 12 83 15 - 5.5-11.8 Violated in 11 structures by 0.64 A. Peak 4655 from cnoeabs.peaks (6.69, 2.15, 28.54 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.84: HE22 GLN 15 + HB3 LYS 42 OK 84 84 100 100 3.5-4.2 4039=98, 1.7/4032=80...(4) Violated in 0 structures by 0.00 A. Peak 4656 from cnoeabs.peaks (6.82, 2.44, 33.72 ppm; 5.07 A): 0 out of 2 assignments used, quality = 0.00: QE TYR 28 - HG2 GLN 53 far 0 63 0 - 5.4-11.3 QE TYR 57 - HG2 GLN 53 far 0 100 0 - 6.5-11.0 Violated in 20 structures by 1.97 A. Peak 4658 from cnoeabs.peaks (0.90, 2.48, 37.68 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 50 + HB2 ASN 54 OK 97 97 100 100 4.1-4.8 4661/3.4=88, 4660/3.4=88...(7) Violated in 0 structures by 0.00 A. Peak 4659 from cnoeabs.peaks (0.90, 2.65, 37.68 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.92: QG2 ILE 50 + HB3 ASN 54 OK 92 92 100 100 3.2-4.3 4660/3.4=78, 4661/3.4=76...(7) Violated in 0 structures by 0.00 A. Peak 4663 from cnoeabs.peaks (3.91, 4.36, 55.11 ppm; 5.02 A increased from 4.46 A): 1 out of 7 assignments used, quality = 0.76: HA GLN 53 + HA ASN 54 OK 76 76 100 100 4.7-4.8 ~903=51, ~265=51...(10) HB2 SER 65 - HA LEU 68 far 7 75 10 - 4.1-11.7 HB2 SER 65 - HA LEU 64 far 7 48 15 - 4.6-6.7 HB2 SER 66 - HA LEU 64 poor 6 30 20 - 4.6-9.0 HB2 SER 66 - HA LEU 68 far 0 49 0 - 5.2-8.4 HB2 SER 65 - HA ASN 54 far 0 90 0 - 7.9-23.2 HA GLN 53 - HA LEU 68 far 0 61 0 - 8.1-28.1 Violated in 0 structures by 0.00 A. Peak 4667 from cnoeabs.peaks (7.13, 4.36, 55.11 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.89: QD TYR 57 + HA ASN 54 OK 89 89 100 100 3.7-4.0 2.5/3834=86, 2.5/3832=84...(6) QD TYR 57 - HA LEU 68 far 0 73 0 - 4.8-24.8 QD TYR 57 - HA LEU 64 far 0 47 0 - 6.7-17.6 HD1 TRP 51 - HA ASN 54 far 0 95 0 - 7.3-8.4 QD TYR 28 - HA LEU 64 far 0 60 0 - 9.7-23.4 Violated in 0 structures by 0.00 A. Peak 4669 from cnoeabs.peaks (1.52, 3.43, 56.09 ppm; 5.55 A increased from 4.93 A): 2 out of 2 assignments used, quality = 0.93: HD2 LYS 58 + HA ARG 55 OK 73 87 85 99 2.6-6.2 3.5/3841=81, 3.5/3839=76...(5) HD3 LYS 58 + HA ARG 55 OK 73 87 85 99 2.1-6.2 3.5/3841=81, 3.5/3839=76...(5) Violated in 0 structures by 0.00 A. Peak 4673 from cnoeabs.peaks (7.16, 4.08, 59.51 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.93: QE PHE 23 + HA ARG 56 OK 93 93 100 100 3.3-4.1 2.2/4674=79, 4638=78...(9) QD TYR 57 - HA ARG 56 far 0 92 0 - 6.6-6.7 HZ PHE 52 - HA ARG 21 far 0 77 0 - 7.7-8.7 QE PHE 23 - HA ARG 21 far 0 83 0 - 8.6-9.3 HZ PHE 52 - HA ARG 56 far 0 87 0 - 9.9-11.4 Violated in 3 structures by 0.00 A. Peak 4674 from cnoeabs.peaks (6.95, 4.08, 59.51 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.99: HZ PHE 23 + HA ARG 56 OK 99 100 100 100 2.1-3.4 4640=87, 2.2/4673=58...(10) HE3 TRP 51 - HA ARG 56 far 0 87 0 - 8.0-9.0 HE21 GLN 53 - HA ARG 56 far 0 85 0 - 8.8-11.2 HE3 TRP 51 - HA ARG 21 far 0 77 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 4675 from cnoeabs.peaks (7.15, 2.20, 30.34 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.76: QE PHE 23 + HG2 ARG 56 OK 76 76 100 100 2.7-3.6 4676/1.8=87, 4643=69...(12) QD TYR 28 - HG2 ARG 56 far 0 73 0 - 5.1-7.2 QD TYR 57 - HG2 ARG 56 far 0 99 0 - 7.2-8.3 HZ PHE 52 - HG2 ARG 56 far 0 65 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 4676 from cnoeabs.peaks (7.15, 1.45, 30.34 ppm; 4.32 A): 1 out of 5 assignments used, quality = 0.76: QE PHE 23 + HG3 ARG 56 OK 76 76 100 100 2.0-3.2 2.2/4649=80, 4646=74...(10) QD TYR 28 - HG3 ARG 56 far 7 73 10 - 4.1-6.7 HZ PHE 52 - HG3 ARG 56 far 0 65 0 - 7.9-9.5 QD TYR 57 - HG3 ARG 56 far 0 99 0 - 8.0-8.2 HD1 TRP 51 - HG3 ARG 56 far 0 97 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 4677 from cnoeabs.peaks (6.96, 1.45, 30.34 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.93: HZ PHE 23 + HG3 ARG 56 OK 93 93 100 100 2.0-3.5 2.2/4646=98, 4649=89...(10) HE3 TRP 51 - HG3 ARG 56 far 0 98 0 - 6.1-8.3 HE21 GLN 53 - HG3 ARG 56 far 0 63 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 4678 from cnoeabs.peaks (4.26, 4.11, 57.48 ppm; 5.00 A increased from 4.44 A): 1 out of 5 assignments used, quality = 0.98: HA THR 59 + HA LYS 58 OK 98 100 100 98 4.5-4.9 3.0/302=70, ~908=52...(6) HA ARG 61 - HA LYS 58 far 4 85 5 - 4.5-10.6 HA LYS 60 - HA LYS 58 far 0 100 0 - 5.3-7.3 HB THR 59 - HA LYS 58 far 0 83 0 - 5.7-6.5 HA LYS 62 - HA LYS 58 far 0 100 0 - 6.9-13.6 Violated in 0 structures by 0.00 A. Peak 4679 from cnoeabs.peaks (3.12, 4.11, 57.48 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.70: HB2 TYR 57 + HA LYS 58 OK 70 71 100 99 4.5-4.7 2.5/4710=87, ~298=61...(5) HD3 ARG 61 - HA LYS 58 far 4 78 5 - 4.7-14.1 HD2 ARG 61 - HA LYS 58 far 0 78 0 - 5.6-13.4 Violated in 0 structures by 0.00 A. Peak 4681 from cnoeabs.peaks (1.77, 4.26, 62.83 ppm; 5.13 A increased from 4.56 A): 1 out of 2 assignments used, quality = 0.58: HB3 LYS 60 + HA THR 59 OK 58 97 100 59 4.3-5.2 3.8/312=37, ~4881=34 HB3 LYS 62 - HA THR 59 far 0 99 0 - 6.1-12.3 Violated in 3 structures by 0.01 A. Peak 4682 from cnoeabs.peaks (1.74, 1.28, 21.70 ppm; 4.04 A): 0 out of 5 assignments used, quality = 0.00: HB2 ARG 56 - QG2 THR 59 poor 17 68 25 - 3.6-6.2 HB3 LYS 58 - QG2 THR 59 far 13 84 15 - 3.1-6.8 HB3 ARG 61 - QG2 THR 59 lone 0 79 35 1 2.0-9.0 HD2 LYS 42 - QG2 THR 44 far 0 81 0 - 7.7-9.2 HB3 LEU 37 - QG2 THR 44 far 0 98 0 - 9.5-9.8 Violated in 9 structures by 0.25 A. Peak 4686 from cnoeabs.peaks (3.14, 1.81, 30.54 ppm; 3.99 A): 2 out of 3 assignments used, quality = 0.99: HD2 ARG 61 + HB2 ARG 61 OK 95 100 95 100 2.1-4.1 3.5=100 HD3 ARG 61 + HB2 ARG 61 OK 90 100 90 100 2.2-4.2 3.5=100 HB3 TYR 57 - HB2 ARG 61 far 0 68 0 - 8.3-12.7 Violated in 0 structures by 0.00 A. Peak 4687 from cnoeabs.peaks (3.90, 3.14, 43.26 ppm; 4.24 A): 0 out of 2 assignments used, quality = 0.00: HA LYS 27 - HD2 ARG 61 far 0 100 0 - 7.1-18.2 HA LYS 27 - HD3 ARG 61 far 0 100 0 - 8.1-17.9 Violated in 20 structures by 7.80 A. Peak 4688 from cnoeabs.peaks (3.58, 3.14, 43.26 ppm; 4.05 A): 0 out of 0 assignments used, quality = 0.00: Peak 4691 from cnoeabs.peaks (2.38, 3.14, 43.26 ppm; 4.14 A): 0 out of 4 assignments used, quality = 0.00: HG3 GLN 63 - HD2 ARG 61 far 4 87 5 - 3.6-12.5 HG3 GLN 63 - HD3 ARG 61 far 0 87 0 - 4.2-11.7 HG2 GLN 63 - HD2 ARG 61 far 0 83 0 - 4.8-12.2 HG2 GLN 63 - HD3 ARG 61 far 0 83 0 - 5.5-11.8 Violated in 18 structures by 2.03 A. Peak 4692 from cnoeabs.peaks (9.12, 4.26, 56.50 ppm; 5.04 A): 0 out of 0 assignments used, quality = 0.00: Peak 4693 from cnoeabs.peaks (1.67, 2.08, 29.35 ppm; 4.35 A): 1 out of 5 assignments used, quality = 0.79: HB2 LEU 64 + HB2 GLN 63 OK 79 97 100 81 3.3-4.4 1.8/4694=58, 836/4.6=52 HD2 LYS 62 - HB2 GLN 63 far 0 100 0 - 5.5-9.0 HD3 LYS 62 - HB2 GLN 63 far 0 100 0 - 5.8-9.6 HD3 LYS 60 - HB2 GLN 63 far 0 100 0 - 7.4-14.2 HD2 LYS 60 - HB2 GLN 63 far 0 100 0 - 8.3-15.6 Violated in 1 structures by 0.00 A. Peak 4694 from cnoeabs.peaks (1.59, 2.08, 29.35 ppm; 5.14 A increased from 4.57 A): 1 out of 4 assignments used, quality = 0.71: HB3 LEU 64 + HB2 GLN 63 OK 71 73 100 97 4.1-4.9 1.8/4693=95, 3.8/3626=35 HG2 ARG 61 - HB2 GLN 63 far 10 100 10 - 3.7-11.3 HG3 ARG 61 - HB2 GLN 63 far 5 100 5 - 4.0-11.8 HG LEU 68 - HB2 GLN 63 far 0 78 0 - 8.2-19.2 Violated in 0 structures by 0.00 A. Peak 4698 from cnoeabs.peaks (2.48, 2.48, 32.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 4699 from cnoeabs.peaks (2.39, 2.39, 32.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 4702 from cnoeabs.peaks (1.62, 2.48, 32.80 ppm; 5.67 A increased from 5.04 A): 2 out of 3 assignments used, quality = 0.96: HB3 GLN 15 + HG3 MET 11 OK 95 95 100 100 4.2-5.7 4717/1.8=92, 4711/3.0=91...(9) HB3 LEU 43 + HG3 MET 11 OK 31 89 35 100 4.7-7.2 3.1/4724=93, 3.1/4725=81...(8) HB2 LEU 41 - HG3 MET 11 far 5 100 5 - 5.7-8.7 Violated in 0 structures by 0.00 A. Peak 4703 from cnoeabs.peaks (0.65, -0.28, 24.60 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 43 + QD1 LEU 19 OK 99 100 100 99 2.6-3.2 4479=94, 4478/2.1=72...(4) HB2 ARG 55 - QD1 LEU 19 far 0 100 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 4704 from cnoeabs.peaks (1.96, -0.28, 24.60 ppm; 4.99 A increased from 3.99 A): 1 out of 6 assignments used, quality = 0.90: HD3 ARG 55 + QD1 LEU 19 OK 90 92 100 98 4.4-4.8 4677/4679=77...(8) HB ILE 50 - QD1 LEU 19 far 0 83 0 - 6.1-7.4 HB2 ARG 21 - QD1 LEU 19 far 0 97 0 - 7.3-7.7 HD3 LYS 22 - QD1 LEU 19 far 0 100 0 - 8.0-9.6 HB3 ARG 21 - QD1 LEU 19 far 0 95 0 - 8.6-9.1 HB2 ARG 34 - QD1 LEU 19 far 0 87 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 4705 from cnoeabs.peaks (0.71, 7.13, 119.60 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.95: QD1 ILE 17 + HD2 HIS 13 OK 95 95 100 100 2.0-2.6 4082=96, 2.1/4621=74...(5) QD1 LEU 41 - HD2 HIS 13 far 0 94 0 - 9.3-10.2 HB2 LEU 19 - HD2 HIS 13 far 0 98 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 4706 from cnoeabs.peaks (6.98, 3.11, 30.63 ppm; 4.69 A): 0 out of 1 assignment used, quality = 0.00: HE3 TRP 51 - HB3 HIS 10 far 0 99 0 - 9.2-15.4 Violated in 20 structures by 8.41 A. Peak 4707 from cnoeabs.peaks (1.89, 3.19, 30.63 ppm; 5.54 A increased from 4.66 A): 1 out of 4 assignments used, quality = 0.96: HB2 GLU 33 + HB3 HIS 36 OK 96 98 100 98 5.0-5.3 3.0/3735=98 HB2 GLU 33 - HB2 HIS 36 far 0 98 0 - 6.3-6.9 HG LEU 41 - HB2 HIS 36 far 0 71 0 - 8.2-9.7 HG LEU 41 - HB3 HIS 36 far 0 71 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 4708 from cnoeabs.peaks (1.69, 3.19, 30.63 ppm; 4.82 A increased from 4.54 A): 4 out of 11 assignments used, quality = 0.93: HD2 LYS 39 + HB2 HIS 36 OK 69 100 75 92 3.7-5.7 ~4368=41, 4367/3.0=38...(8) HB2 LEU 37 + HB3 HIS 36 OK 52 60 100 86 4.3-4.8 4.0/153=75, 4.4/4400=42 HD3 LYS 39 + HB2 HIS 36 OK 41 100 45 92 3.6-5.9 ~4368=41, 4367/3.0=38...(8) HD3 LYS 39 + HB3 HIS 36 OK 23 100 25 92 4.7-6.7 ~4368=41, 4367/3.0=38...(8) HB2 LEU 37 - HB2 HIS 36 far 9 60 15 - 4.8-6.1 HD2 LYS 39 - HB3 HIS 36 far 5 100 5 - 4.9-6.8 HG2 LYS 22 - HB3 HIS 36 far 0 81 0 - 7.8-8.5 HG13 ILE 50 - HB2 HIS 10 far 0 84 0 - 8.2-14.1 HG2 LYS 22 - HB2 HIS 36 far 0 81 0 - 8.2-10.3 HG3 LYS 22 - HB3 HIS 36 far 0 92 0 - 8.9-9.9 HG3 LYS 22 - HB2 HIS 36 far 0 92 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 4709 from cnoeabs.peaks (1.50, 3.19, 30.63 ppm; 4.70 A increased from 4.43 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 35 + HB3 HIS 36 OK 95 98 100 97 4.1-4.5 149/4.0=75, 632/4353=65...(4) QB ALA 35 + HB2 HIS 36 OK 47 98 50 96 3.9-5.2 149/4.0=75, 4359/1.8=54...(4) HG LEU 43 - HB2 HIS 10 far 0 55 0 - 8.0-12.4 Violated in 0 structures by 0.00 A. Peak 4710 from cnoeabs.peaks (4.06, 7.05, 119.84 ppm; 5.29 A): 1 out of 4 assignments used, quality = 0.81: HA GLU 33 + HD2 HIS 36 OK 81 91 100 89 3.4-4.5 3735/4.0=78, 985/5.9=50 HA LEU 37 - HD2 HIS 36 lone 1 98 50 2 3.7-7.5 HA LYS 39 - HD2 HIS 36 far 0 72 0 - 9.0-10.7 HB THR 14 - HD2 HIS 10 far 0 41 0 - 9.6-15.2 Violated in 0 structures by 0.00 A. Peak 4711 from cnoeabs.peaks (1.62, 2.00, 34.98 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.95: HB3 GLN 15 + HB2 MET 11 OK 95 96 100 100 2.1-2.9 3.0/4822=71, 1.8/4022=66...(9) HB2 LEU 41 - HB2 MET 11 far 0 100 0 - 6.3-7.5 HB3 LEU 43 - HB2 MET 11 far 0 87 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 4712 from cnoeabs.peaks (1.01, 2.00, 34.98 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 16 + HB2 MET 11 OK 98 100 100 98 2.4-3.7 4065/1.8=76...(8) QG1 VAL 16 - HB2 MET 11 far 0 85 0 - 4.9-6.1 QG1 VAL 48 - HB2 MET 11 far 0 89 0 - 7.8-8.7 Violated in 2 structures by 0.00 A. Peak 4713 from cnoeabs.peaks (0.86, 2.00, 34.98 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 43 + HB2 MET 11 OK 100 100 100 100 3.4-4.9 4492/3.0=91, 4846/3.0=88...(9) Violated in 0 structures by 0.00 A. Peak 4714 from cnoeabs.peaks (1.63, 1.83, 34.98 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLN 15 + HB3 MET 11 OK 99 99 100 100 3.0-4.5 4711/1.8=91, 3.0/4823=78...(10) HB3 LEU 43 - HB3 MET 11 far 0 76 0 - 7.0-8.6 HB2 LEU 41 - HB3 MET 11 far 0 98 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 4715 from cnoeabs.peaks (1.01, 1.83, 34.98 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HB3 MET 11 OK 100 100 100 100 2.3-3.2 4065=100, 4712/1.8=73...(7) QG1 VAL 16 - HB3 MET 11 far 0 85 0 - 4.4-5.6 QG1 VAL 48 - HB3 MET 11 far 0 89 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 4716 from cnoeabs.peaks (0.86, 1.83, 34.98 ppm; 5.55 A increased from 5.22 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 43 + HB3 MET 11 OK 98 98 100 100 4.4-5.6 4492/3.0=94, 4846/3.0=92...(9) Violated in 1 structures by 0.00 A. Peak 4717 from cnoeabs.peaks (1.63, 2.39, 32.80 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLN 15 + HG2 MET 11 OK 99 100 100 100 3.9-4.7 4711/3.0=68, 4714/3.0=60...(9) HB3 LEU 43 - HG2 MET 11 far 3 65 5 - 4.5-6.0 HB2 LEU 41 - HG2 MET 11 far 0 95 0 - 4.9-7.0 Violated in 2 structures by 0.00 A. Peak 4718 from cnoeabs.peaks (1.02, 2.39, 32.80 ppm; 4.92 A increased from 4.37 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HG2 MET 11 OK 100 100 100 100 3.8-4.9 4066=99, 4065/3.0=88...(5) QG1 VAL 16 - HG2 MET 11 far 0 92 0 - 5.5-7.0 QG1 VAL 48 - HG2 MET 11 far 0 81 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 4719 from cnoeabs.peaks (0.85, 2.39, 32.80 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 43 + HG2 MET 11 OK 100 100 100 100 2.1-3.5 4492=100, 4846/1.8=68...(12) Violated in 0 structures by 0.00 A. Peak 4720 from cnoeabs.peaks (0.65, 2.39, 32.80 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG2 MET 11 OK 100 100 100 100 1.9-3.5 2.1/4492=97, 4725/1.8=79...(9) Violated in 0 structures by 0.00 A. Peak 4721 from cnoeabs.peaks (1.97, 2.48, 32.80 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.78: HB2 MET 11 + HG3 MET 11 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 55 - HG3 MET 11 far 0 100 0 - 6.8-10.0 HB2 GLU 18 - HG3 MET 11 far 0 81 0 - 7.4-10.3 HB3 GLU 18 - HG3 MET 11 far 0 81 0 - 8.5-11.6 Violated in 0 structures by 0.00 A. Peak 4722 from cnoeabs.peaks (1.83, 2.48, 32.80 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 47 - HG3 MET 11 far 0 100 0 - 4.3-5.7 HB ILE 17 - HG3 MET 11 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 4723 from cnoeabs.peaks (1.01, 2.48, 32.80 ppm; 5.29 A increased from 4.45 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HG3 MET 11 OK 100 100 100 100 3.6-5.0 4065/3.0=94, 4712/3.0=93...(4) QG1 VAL 16 - HG3 MET 11 far 0 85 0 - 5.4-7.2 QG1 VAL 48 - HG3 MET 11 far 0 89 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 4724 from cnoeabs.peaks (0.85, 2.48, 32.80 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 43 + HG3 MET 11 OK 100 100 100 100 2.0-3.9 4846=91, 4492/1.8=85...(10) Violated in 1 structures by 0.00 A. Peak 4725 from cnoeabs.peaks (0.65, 2.48, 32.80 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG3 MET 11 OK 100 100 100 100 2.5-4.9 2.1/4724=94, 4720/1.8=81...(10) Violated in 1 structures by 0.00 A. Peak 4726 from cnoeabs.peaks (2.49, 2.00, 34.98 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLN 15 + HB2 MET 11 OK 99 99 100 100 2.1-3.2 4822=95, 4823/1.8=56...(11) HG3 MET 11 + HB2 MET 11 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 GLN 15 - HB2 MET 11 poor 19 95 20 - 3.3-4.3 HG2 GLU 20 - HB2 MET 11 far 0 63 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 4727 from cnoeabs.peaks (2.50, 1.83, 34.98 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.92: HG3 MET 11 + HB3 MET 11 OK 92 92 100 100 2.4-3.0 3.0=100 HG3 GLN 15 - HB3 MET 11 poor 19 93 20 - 3.2-4.2 HB2 GLN 15 - HB3 MET 11 far 0 100 0 - 4.6-6.1 HB2 ASN 54 - HB3 MET 11 far 0 73 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 4728 from cnoeabs.peaks (4.67, 2.48, 32.80 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.95: HA MET 11 + HG3 MET 11 OK 95 96 100 100 2.2-3.5 3.8=93, 1100/1.8=71...(5) HA HIS 10 - HG3 MET 11 poor 18 90 20 - 3.7-6.4 HA THR 44 - HG3 MET 11 far 0 87 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 4729 from cnoeabs.peaks (7.83, 2.00, 34.98 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.99: H VAL 16 + HB2 MET 11 OK 99 99 100 100 3.5-4.4 4056=92, 517/4712=87...(7) Violated in 0 structures by 0.00 A. Peak 4730 from cnoeabs.peaks (6.92, 2.39, 32.80 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.87: HE21 GLN 47 + HG2 MET 11 OK 87 93 95 98 3.2-5.4 1.7/4733=76...(4) HD22 ASN 54 - HG2 MET 11 far 0 92 0 - 7.7-11.5 Violated in 3 structures by 0.02 A. Peak 4731 from cnoeabs.peaks (8.24, 2.48, 32.80 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.97: H MET 11 + HG3 MET 11 OK 97 97 100 100 2.0-4.0 4.8=100 H TRP 51 - HG3 MET 11 far 0 83 0 - 6.3-8.6 Violated in 0 structures by 0.00 A. Peak 4732 from cnoeabs.peaks (7.68, 2.48, 32.80 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.89: HE22 GLN 47 + HG3 MET 11 OK 89 96 100 93 2.7-5.1 4559/4724=69, ~4730=65...(4) H VAL 48 - HG3 MET 11 far 0 100 0 - 7.0-8.5 Violated in 0 structures by 0.00 A. Peak 4733 from cnoeabs.peaks (7.65, 2.39, 32.80 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.80: HE22 GLN 47 + HG2 MET 11 OK 80 87 95 97 3.3-5.7 1.7/4730=86...(3) Violated in 1 structures by 0.02 A. Peak 4734 from cnoeabs.peaks (8.24, 2.39, 32.80 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.97: H MET 11 + HG2 MET 11 OK 97 97 100 100 3.3-4.3 4.8=100 H TRP 51 - HG2 MET 11 far 0 83 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 4735 from cnoeabs.peaks (9.37, 2.39, 32.80 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.93: H SER 12 + HG2 MET 11 OK 93 93 100 100 3.8-4.6 3.6/1100=83, 4737=80...(5) Violated in 0 structures by 0.00 A. Peak 4736 from cnoeabs.peaks (9.37, 2.48, 32.80 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.97: H SER 12 + HG3 MET 11 OK 97 97 100 100 3.5-5.1 4735/1.8=86, 3.6/4728=85...(6) Violated in 0 structures by 0.00 A. Peak 4740 from cnoeabs.peaks (2.50, 3.95, 65.53 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.97: HB2 GLN 15 + HB3 SER 12 OK 97 99 100 98 3.1-4.7 4013/3.9=62, 508/4803=53...(7) HG3 GLN 15 - HB3 SER 12 far 5 97 5 - 5.0-6.9 HG3 MET 11 - HB3 SER 12 far 0 96 0 - 5.7-8.5 Violated in 0 structures by 0.00 A. Peak 4741 from cnoeabs.peaks (7.92, 4.37, 65.53 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.87: H THR 14 + HB2 SER 12 OK 87 100 100 87 3.1-4.2 4743/1.8=60, 11=41...(5) H LYS 42 - HB2 SER 12 far 0 95 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 4743 from cnoeabs.peaks (7.91, 3.95, 65.53 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.98: H THR 14 + HB3 SER 12 OK 98 100 100 98 2.7-5.0 4741/1.8=92, 866/4803=50 Violated in 1 structures by 0.00 A. Peak 4744 from cnoeabs.peaks (1.02, 4.38, 59.74 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 16 + HA HIS 13 OK 97 99 100 97 2.7-3.4 4050=71, 2.1/3662=64...(6) QG1 VAL 16 - HA HIS 13 far 0 93 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 4745 from cnoeabs.peaks (7.12, 1.21, 21.82 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.99: HD2 HIS 13 + QG2 THR 14 OK 99 100 100 99 4.1-4.6 4622=98, 4624/4079=60 Violated in 0 structures by 0.00 A. Peak 4746 from cnoeabs.peaks (7.53, 3.15, 39.32 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 52 + HB2 PHE 23 OK 100 100 100 100 2.9-4.1 4630/2.4=96, 4703/2.9=83...(8) H GLU 18 - HB2 PHE 23 far 0 85 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 4747 from cnoeabs.peaks (7.54, 3.08, 39.32 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 52 + HB3 PHE 23 OK 99 99 100 100 4.3-5.3 4630/2.4=99, 4746/1.8=89...(8) H GLU 18 - HB3 PHE 23 far 0 92 0 - 9.0-9.7 H TYR 57 - HB3 PHE 23 far 0 65 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4749 from cnoeabs.peaks (0.52, 3.50, 29.17 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.87: QD2 LEU 19 + HB2 TRP 51 OK 87 87 100 100 3.0-3.8 2.1/4750=89, 4114=80...(9) Violated in 0 structures by 0.00 A. Peak 4750 from cnoeabs.peaks (-0.28, 3.50, 29.17 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HB2 TRP 51 OK 100 100 100 100 2.6-3.9 4751/1.8=78, 2.1/4114=75...(10) HB3 ARG 55 - HB2 TRP 51 far 0 100 0 - 5.1-7.5 HG2 ARG 55 - HB2 TRP 51 far 0 100 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 4751 from cnoeabs.peaks (-0.28, 3.29, 29.17 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HB3 TRP 51 OK 100 100 100 100 2.8-3.8 4750/1.8=82...(9) HG2 ARG 55 - HB3 TRP 51 far 0 100 0 - 5.9-6.5 HB3 ARG 55 - HB3 TRP 51 far 0 100 0 - 5.9-8.1 Violated in 0 structures by 0.00 A. Peak 4752 from cnoeabs.peaks (-0.29, 7.14, 127.21 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: HG2 ARG 55 + HD1 TRP 51 OK 98 99 100 99 4.9-5.3 3.0/4677=92, ~4619=54...(7) QD1 LEU 19 + HD1 TRP 51 OK 98 98 100 100 2.7-3.6 4827=96, 4751/4574=68...(10) HB3 ARG 55 - HD1 TRP 51 far 0 97 0 - 5.7-7.0 Violated in 0 structures by 0.00 A. Peak 4756 from cnoeabs.peaks (0.71, 7.25, 114.23 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.96: HB2 LEU 19 + HZ2 TRP 51 OK 96 98 100 98 2.9-3.7 47/4125=69, 3679/4727=62...(6) QD1 LEU 41 - HZ2 TRP 51 far 0 94 0 - 6.4-7.1 QD1 ILE 17 - HZ2 TRP 51 far 0 95 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 4757 from cnoeabs.peaks (-0.28, 7.25, 114.23 ppm; 5.26 A): 3 out of 3 assignments used, quality = 1.00: HG2 ARG 55 + HZ2 TRP 51 OK 98 98 100 100 3.0-3.4 4696/2.5=93, 3.0/4689=82...(7) QD1 LEU 19 + HZ2 TRP 51 OK 98 98 100 100 3.3-4.1 3.1/4694=71...(11) HB3 ARG 55 + HZ2 TRP 51 OK 49 97 55 92 4.8-5.5 3.7/4689=74, ~4696=56...(4) Violated in 0 structures by 0.00 A. Peak 4759 from cnoeabs.peaks (2.42, 3.43, 56.09 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.86: HD2 ARG 55 + HA ARG 55 OK 86 95 100 91 2.2-3.2 2722=65, 1.8/2688=57...(4) HG2 GLN 53 - HA ARG 55 far 0 87 0 - 7.5-9.1 HG3 GLU 20 - HA ARG 55 far 0 100 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 4760 from cnoeabs.peaks (0.67, -0.44, 23.54 ppm; 5.61 A): 1 out of 2 assignments used, quality = 0.89: HB2 ARG 55 + HG3 ARG 55 OK 89 89 100 100 2.4-3.0 3.0=100 QD1 LEU 43 - HG3 ARG 55 far 0 96 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 4763 from cnoeabs.peaks (0.99, 3.69, 64.32 ppm; 5.52 A increased from 4.65 A): 1 out of 3 assignments used, quality = 0.68: QG2 VAL 16 + HA ILE 17 OK 68 68 100 100 5.4-5.4 2.1/4051=91, ~29=74...(7) QD1 LEU 37 - HA ILE 17 far 0 71 0 - 7.9-8.6 QG1 VAL 48 - HA ILE 17 far 0 97 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 4764 from cnoeabs.peaks (1.02, 2.41, 35.25 ppm; 4.24 A): 1 out of 9 assignments used, quality = 0.62: QG1 VAL 16 + HG3 GLU 20 OK 62 62 100 100 2.0-3.1 4058=97, 4124/1.8=54...(8) QG2 VAL 16 - HG3 GLU 20 far 0 61 0 - 4.8-5.5 QG2 VAL 16 - HG3 GLU 18 far 0 97 0 - 6.3-8.0 QG1 VAL 16 - HG3 GLU 18 far 0 98 0 - 6.6-7.7 QG1 VAL 48 - HG3 GLN 47 far 0 32 0 - 7.1-7.6 QG2 VAL 16 - HG3 GLN 47 far 0 54 0 - 8.6-10.0 QG1 VAL 48 - HG3 GLU 20 far 0 36 0 - 8.6-9.8 QG1 VAL 48 - HG3 GLU 18 far 0 65 0 - 8.7-9.8 QG1 VAL 16 - HG3 GLN 47 far 0 56 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4765 from cnoeabs.peaks (0.71, 1.01, 23.28 ppm; 5.78 A): 5 out of 5 assignments used, quality = 1.00: HB2 LEU 19 + QG2 VAL 16 OK 100 100 100 100 4.3-5.0 3679/3.2=94, 4063/2.1=65...(13) QD1 ILE 17 + QG2 VAL 16 OK 96 98 100 97 5.3-5.7 525/4.3=83, 4083/517=77 QD1 LEU 41 + QG2 VAL 16 OK 51 97 100 52 5.0-5.7 4817/4766=46, 4029/4067=10 QD1 LEU 41 + QG1 VAL 48 OK 45 47 100 96 3.7-4.3 4816/4825=84, ~4463=38...(6) HB2 LEU 19 + QG1 VAL 48 OK 43 51 85 100 5.4-6.1 1.8/4767=95, 3.1/4825=94...(8) Violated in 0 structures by 0.00 A. Peak 4766 from cnoeabs.peaks (-0.28, 1.01, 23.28 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 19 + QG2 VAL 16 OK 100 100 100 100 3.0-3.6 4769/3.2=66...(17) QD1 LEU 19 + QG1 VAL 48 OK 50 51 100 99 3.2-4.2 2.1/4825=86, 3.1/4767=47...(10) HG2 ARG 55 - QG2 VAL 16 far 0 99 0 - 5.7-6.4 HB3 ARG 55 - QG1 VAL 48 far 0 51 0 - 7.0-9.0 HG2 ARG 55 - QG1 VAL 48 far 0 49 0 - 7.2-7.8 HB3 ARG 55 - QG2 VAL 16 far 0 100 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 4767 from cnoeabs.peaks (-0.74, 1.01, 23.28 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.43: HB3 LEU 19 + QG1 VAL 48 OK 43 44 100 98 4.3-5.0 3.1/4825=86, ~4579=37...(8) HB3 LEU 19 - QG2 VAL 16 far 0 95 0 - 5.4-6.2 Violated in 0 structures by 0.00 A. Peak 4768 from cnoeabs.peaks (-0.28, 1.03, 21.88 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + QG1 VAL 16 OK 100 100 100 100 2.9-3.6 4769/3.2=76, 3.1/4063=68...(19) HG2 ARG 55 + QG1 VAL 16 OK 87 99 100 88 4.2-4.7 3.0/4060=70...(4) HB3 ARG 55 - QG1 VAL 16 far 0 100 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 4769 from cnoeabs.peaks (-0.28, 3.23, 67.30 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HA VAL 16 OK 99 100 100 99 1.9-2.7 4119=68, 3.1/3679=52...(14) HG2 ARG 55 - HA VAL 16 far 0 100 0 - 6.5-7.1 HB3 ARG 55 - HA VAL 16 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 4770 from cnoeabs.peaks (0.94, 2.00, 29.57 ppm; 5.04 A): 3 out of 6 assignments used, quality = 0.96: QD1 LEU 37 + HB3 GLU 18 OK 80 85 100 94 3.1-3.9 4791=75, 4805/3.0=53...(4) QD1 LEU 37 + HB2 GLU 18 OK 76 85 95 94 4.0-5.3 4791/1.8=72, 4805/3.0=53...(4) QD2 LEU 37 + HB3 GLU 18 OK 25 68 40 93 4.7-5.5 2.1/4791=87, ~4805=40 QD2 LEU 37 - HB2 GLU 18 far 0 68 0 - 5.3-6.6 QG2 VAL 48 - HB2 GLU 18 far 0 99 0 - 6.6-7.6 QG2 VAL 48 - HB3 GLU 18 far 0 99 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 4771 from cnoeabs.peaks (1.97, 0.53, 23.51 ppm; 6.00 A increased from 5.07 A): 1 out of 6 assignments used, quality = 0.29: HD3 ARG 55 + QD2 LEU 19 OK 29 99 30 98 5.8-6.7 4704/2.1=91...(4) HD3 LYS 22 - QD2 LEU 19 far 10 100 10 - 5.6-7.5 HB2 ARG 21 - QD2 LEU 19 far 0 100 0 - 6.2-6.7 HB ILE 50 - QD2 LEU 19 far 0 60 0 - 6.7-7.7 HB3 ARG 21 - QD2 LEU 19 far 0 100 0 - 7.2-8.1 HB2 ARG 34 - QD2 LEU 19 far 0 65 0 - 7.4-8.1 Violated in 14 structures by 0.16 A. Peak 4772 from cnoeabs.peaks (1.99, 1.24, 25.70 ppm; 5.25 A): 2 out of 6 assignments used, quality = 0.97: HB2 GLU 18 + HG LEU 19 OK 84 100 100 84 3.3-3.9 4.3/536=80, 4457/1299=17 HB3 GLU 18 + HG LEU 19 OK 84 100 100 84 3.8-4.7 4.3/536=80, 4457/1299=17 HB2 MET 11 - HG LEU 19 far 0 100 0 - 5.8-7.2 HB2 ARG 21 - HG LEU 19 far 0 63 0 - 6.8-7.2 HD3 ARG 55 - HG LEU 19 far 0 76 0 - 7.4-7.9 HB3 ARG 21 - HG LEU 19 far 0 71 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 4773 from cnoeabs.peaks (6.44, 2.42, 35.40 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: HH2 TRP 51 + HG3 GLU 20 OK 100 100 100 100 3.1-4.6 4691/1.8=99, 4720=97...(9) HH2 TRP 51 - HG3 GLU 18 far 0 66 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 4774 from cnoeabs.peaks (6.45, 2.46, 35.40 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.98: HH2 TRP 51 + HG2 GLU 20 OK 98 98 100 100 2.0-3.3 2.5/4688=97, 4720/1.8=96...(9) Violated in 0 structures by 0.00 A. Peak 4775 from cnoeabs.peaks (5.71, 4.22, 59.07 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.97: HZ3 TRP 51 + HA GLU 20 OK 97 97 100 100 3.5-4.3 2.4/4685=98...(8) Violated in 0 structures by 0.00 A. Peak 4776 from cnoeabs.peaks (0.17, 2.38, 30.62 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.78: QD1 LEU 29 + HB3 LYS 22 OK 78 78 100 100 2.7-3.7 ~4890=64, ~4155=60...(11) Violated in 0 structures by 0.00 A. Peak 4777 from cnoeabs.peaks (0.94, 2.80, 42.08 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.92: QD1 LEU 37 + HE2 LYS 22 OK 71 76 95 99 1.9-4.8 2.1/4386=49, ~4780=44...(12) QD2 LEU 37 + HE2 LYS 22 OK 70 78 90 100 2.2-4.4 4780/1.8=62, 4156/3.0=54...(15) QG2 VAL 48 - HE2 LYS 22 far 0 96 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 4778 from cnoeabs.peaks (0.45, 2.80, 42.08 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 29 + HE2 LYS 22 OK 98 99 100 99 2.0-3.8 4244=76, 4811/1.8=63...(9) Violated in 1 structures by 0.00 A. Peak 4779 from cnoeabs.peaks (0.93, 2.95, 42.08 ppm; 4.67 A increased from 4.39 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HE3 LYS 22 OK 93 93 100 100 3.5-4.5 4156/3.0=70, 4386/1.8=66...(15) QG2 VAL 48 - HE3 LYS 22 far 0 83 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 4780 from cnoeabs.peaks (0.93, 2.94, 42.08 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.76: QD2 LEU 37 + HE3 LYS 22 OK 76 76 100 100 3.5-4.5 4156/3.0=68, 4386/1.8=63...(15) QG2 VAL 48 - HE3 LYS 22 far 0 66 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 4781 from cnoeabs.peaks (7.52, 2.02, 31.80 ppm; 4.44 A): 2 out of 8 assignments used, quality = 0.93: H TYR 28 + HB2 GLN 26 OK 88 92 100 96 2.6-3.8 4218/3.0=57, 4213/3.0=54...(5) H TYR 28 + HB3 GLN 26 OK 44 92 50 96 4.3-5.5 4218/3.0=57, 4213/3.0=54...(5) QE PHE 52 - HB2 GLN 26 far 0 97 0 - 5.6-6.4 QE PHE 52 - HB3 GLN 26 far 0 97 0 - 6.0-7.0 HE22 GLN 53 - HB3 ARG 56 far 0 59 0 - 6.1-9.2 HE21 GLN 63 - HB3 ARG 56 far 0 62 0 - 6.1-20.2 QE PHE 52 - HB3 ARG 56 far 0 66 0 - 7.6-8.7 H TYR 28 - HB3 ARG 56 far 0 61 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 4782 from cnoeabs.peaks (7.51, 2.29, 34.10 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.99: H TYR 28 + HG3 GLN 26 OK 99 100 100 99 2.7-4.0 4218=86, 879/95=54...(6) QE PHE 52 - HG3 GLN 26 poor 17 76 45 50 3.8-5.9 4252/4194=22...(4) QE PHE 52 - HG2 GLN 26 far 11 76 15 - 3.7-5.0 H TYR 28 - HG2 GLN 26 far 5 100 5 - 3.8-5.4 Violated in 0 structures by 0.00 A. Peak 4783 from cnoeabs.peaks (3.34, 2.29, 34.10 ppm; 5.30 A): 0 out of 0 assignments used, quality = 0.00: Peak 4784 from cnoeabs.peaks (4.58, 1.88, 30.88 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 29 + HB2 GLU 33 OK 100 100 100 100 4.0-4.7 3438/4260=79...(10) HA SER 30 - HB2 GLU 33 far 0 68 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 4786 from cnoeabs.peaks (4.58, 2.32, 30.88 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 29 + HB3 GLU 33 OK 99 99 100 100 4.0-4.5 4784/1.8=86...(9) HA SER 30 + HB3 GLU 33 OK 78 78 100 100 3.9-4.1 3.0/4302=84, 3.0/4787=65...(12) HA SER 30 - HB3 PRO 32 far 0 69 0 - 7.6-7.7 Violated in 0 structures by 0.00 A. Peak 4787 from cnoeabs.peaks (4.21, 2.32, 30.88 ppm; 5.25 A): 1 out of 4 assignments used, quality = 0.84: HB3 SER 30 + HB3 GLU 33 OK 84 85 100 98 2.0-3.8 4.0/4302=74, 4267=48...(8) HA ALA 31 - HB3 GLU 33 far 15 99 15 - 5.3-5.6 HB3 SER 30 - HB3 PRO 32 far 0 75 0 - 5.5-6.3 HA ALA 31 - HB3 PRO 32 far 0 92 0 - 6.0-6.0 Violated in 0 structures by 0.00 A. Peak 4788 from cnoeabs.peaks (1.45, 4.32, 59.41 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.85: HG2 LYS 39 + HA HIS 36 OK 85 85 100 100 2.4-3.8 1.8/4368=92, 2.9/3753=77...(13) Violated in 0 structures by 0.00 A. Peak 4789 from cnoeabs.peaks (2.99, 4.32, 59.41 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: HE2 LYS 39 + HA HIS 36 OK 99 99 100 100 2.1-4.8 3.6/4368=78, 3.6/4788=69...(12) HE3 LYS 39 + HA HIS 36 OK 99 99 100 100 2.0-4.8 3.6/4368=78, 3.6/4788=69...(12) HE2 LYS 42 - HA HIS 36 far 0 57 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 4790 from cnoeabs.peaks (1.86, 0.96, 24.23 ppm; 3.50 A): 1 out of 8 assignments used, quality = 0.99: HG LEU 41 + QD1 LEU 37 OK 99 99 100 100 2.6-3.5 2.1/4377=74, 4460=61...(13) HB2 GLU 33 - QD1 LEU 37 far 0 76 0 - 5.4-6.2 HG2 ARG 21 - QD1 LEU 37 far 0 100 0 - 6.2-7.7 HB3 ARG 34 - QD1 LEU 37 far 0 100 0 - 6.8-7.1 HB ILE 17 - QD1 LEU 37 far 0 78 0 - 7.7-8.7 HB3 MET 11 - QD1 LEU 37 far 0 71 0 - 9.1-11.2 HB2 LYS 42 - QD1 LEU 37 far 0 57 0 - 9.5-10.2 HB3 LYS 49 - QD1 LEU 37 far 0 81 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 4791 from cnoeabs.peaks (2.00, 0.96, 24.23 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.74: HB3 GLU 18 + QD1 LEU 37 OK 74 98 100 75 3.1-3.9 3.0/4805=37, 4770=21...(6) HB2 GLU 18 - QD1 LEU 37 poor 20 98 20 - 4.0-5.3 HB2 MET 11 - QD1 LEU 37 far 0 99 0 - 8.7-10.0 HB3 GLN 26 - QD1 LEU 37 far 0 87 0 - 9.1-10.9 HB2 GLN 26 - QD1 LEU 37 far 0 87 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 4792 from cnoeabs.peaks (7.74, 1.00, 23.57 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.96: QD PHE 52 + QG1 VAL 48 OK 96 97 100 98 2.1-2.8 4704=82, 2.2/4731=65...(6) QD PHE 52 - QG2 VAL 16 far 0 47 0 - 8.1-8.8 H ARG 56 - QG1 VAL 48 far 0 97 0 - 8.3-9.0 H ARG 56 - QG2 VAL 16 far 0 47 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4793 from cnoeabs.peaks (5.74, 3.76, 63.31 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.70: HZ3 TRP 51 + HA PHE 52 OK 70 71 100 99 3.3-3.8 2.5/4794=94...(5) Violated in 0 structures by 0.00 A. Peak 4794 from cnoeabs.peaks (6.97, 3.76, 63.31 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.98: HE3 TRP 51 + HA PHE 52 OK 98 100 100 98 2.4-2.8 4675=70, 254/2.9=47...(10) HZ PHE 23 - HA PHE 52 far 0 78 0 - 4.5-6.2 Violated in 0 structures by 0.00 A. Peak 4795 from cnoeabs.peaks (7.05, 3.76, 63.31 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 23 + HA PHE 52 OK 97 98 100 99 3.1-3.9 4631/3.7=70, 2.2/4796=66...(8) Violated in 0 structures by 0.00 A. Peak 4796 from cnoeabs.peaks (7.18, 3.76, 63.31 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 23 + HA PHE 52 OK 99 100 100 99 2.6-4.0 2.2/4795=84...(6) HZ PHE 52 - HA PHE 52 far 0 100 0 - 5.7-5.8 Violated in 0 structures by 0.00 A. Peak 4797 from cnoeabs.peaks (7.54, 3.76, 63.31 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 52 + HA PHE 52 OK 99 99 100 100 4.5-4.6 5.6=81, 4701/4794=71...(8) H TYR 57 - HA PHE 52 far 0 63 0 - 5.8-6.7 Violated in 0 structures by 0.00 A. Peak 4800 from cnoeabs.peaks (4.78, 4.06, 68.82 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.64: HB THR 44 + HB THR 46 OK 64 100 95 68 3.5-4.1 4799/700=68 Violated in 4 structures by 0.02 A. Peak 4801 from cnoeabs.peaks (8.22, 3.20, 30.63 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.90: H MET 11 + HB2 HIS 10 OK 90 90 100 100 2.0-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 4802 from cnoeabs.peaks (2.49, 4.66, 55.35 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.2-3.5 3.8=98, 1.8/1100=81...(5) HB2 GLN 15 - HA MET 11 far 4 87 5 - 3.9-5.8 HG3 GLN 15 - HA MET 11 far 0 100 0 - 3.9-5.6 Violated in 0 structures by 0.00 A. Peak 4803 from cnoeabs.peaks (7.51, 3.95, 65.53 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.98: H GLN 15 + HB3 SER 12 OK 98 99 100 99 3.0-4.3 508/4740=76, 866/4743=74...(5) Violated in 0 structures by 0.00 A. Peak 4804 from cnoeabs.peaks (2.50, 4.37, 65.53 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 15 + HB2 SER 12 OK 99 100 100 99 2.0-4.4 4740/1.8=81, 4013/3.9=66...(7) HG3 GLN 15 + HB2 SER 12 OK 56 87 70 92 4.4-7.1 ~4740=51, 4015/3.9=49...(6) HG3 MET 11 - HB2 SER 12 far 0 85 0 - 6.0-8.2 Violated in 0 structures by 0.00 A. Peak 4805 from cnoeabs.peaks (0.95, 2.28, 35.25 ppm; 5.80 A increased from 5.15 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 37 + HG2 GLU 18 OK 95 97 100 99 4.9-5.5 4791/3.0=87...(5) QG2 VAL 48 - HG2 GLU 18 far 0 100 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 4806 from cnoeabs.peaks (0.81, 1.86, 27.31 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HG2 ARG 21 OK 100 100 100 100 2.5-4.3 4808/1.8=72, 4137/2.9=68...(7) Violated in 0 structures by 0.00 A. Peak 4807 from cnoeabs.peaks (0.81, 1.86, 27.31 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HG2 ARG 21 OK 100 100 100 100 2.5-4.3 4808/1.8=72, 4137/2.9=68...(7) Violated in 0 structures by 0.00 A. Peak 4808 from cnoeabs.peaks (0.82, 1.60, 27.31 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 17 + HG3 ARG 21 OK 97 97 100 100 2.6-4.8 4807/1.8=82, 4137/2.9=70...(5) Violated in 0 structures by 0.00 A. Peak 4809 from cnoeabs.peaks (0.81, 1.97, 30.19 ppm; 4.78 A increased from 4.50 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 17 + HB2 ARG 21 OK 100 100 100 100 4.2-4.8 4806/1360=70...(7) QG2 ILE 17 - HB3 ARG 21 far 0 100 0 - 5.0-5.8 Violated in 1 structures by 0.00 A. Peak 4810 from cnoeabs.peaks (0.14, 1.68, 24.77 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HG3 LYS 22 OK 100 100 100 100 2.7-3.8 2.1/4155=92, ~4890=75...(11) Violated in 0 structures by 0.00 A. Peak 4811 from cnoeabs.peaks (0.45, 2.95, 42.08 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + HE3 LYS 22 OK 99 99 100 100 1.9-4.1 4243=90, 4778/1.8=86...(8) Violated in 0 structures by 0.00 A. Peak 4812 from cnoeabs.peaks (3.66, 1.59, 28.15 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.90: HA GLU 45 + HG3 ARG 34 OK 90 90 100 100 3.5-4.6 4813/1.8=87, 4520=85...(12) HA VAL 48 - HG3 ARG 34 far 0 60 0 - 5.4-5.8 HA LEU 19 - HG3 ARG 34 far 0 87 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 4813 from cnoeabs.peaks (3.65, 1.34, 28.15 ppm; 4.88 A): 1 out of 4 assignments used, quality = 0.95: HA GLU 45 + HG2 ARG 34 OK 95 96 100 100 2.8-3.6 3.0/4513=77, 4520/1.8=73...(7) HA VAL 48 - HG2 ARG 34 far 0 71 0 - 6.0-6.9 HA LEU 19 - HG2 ARG 34 far 0 93 0 - 9.4-10.8 HA LEU 19 - HD3 LYS 27 far 0 47 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4814 from cnoeabs.peaks (1.82, 0.92, 27.31 ppm; 5.04 A): 1 out of 5 assignments used, quality = 1.00: HD2 LYS 22 + QD2 LEU 37 OK 100 100 100 100 3.0-4.3 4156=90, 4815/2.1=85...(17) HB3 GLN 47 - QD2 LEU 37 far 0 99 0 - 8.0-8.7 HB ILE 17 - QD2 LEU 37 far 0 87 0 - 8.8-9.7 HB2 PRO 32 - QD2 LEU 37 far 0 73 0 - 8.8-9.3 HB3 MET 11 - QD2 LEU 37 far 0 92 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 4815 from cnoeabs.peaks (1.83, 0.96, 24.23 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.79: HD2 LYS 22 + QD1 LEU 37 OK 79 93 85 100 2.3-4.2 4156/2.1=51, 3.0/4383=43...(19) HG2 ARG 21 - QD1 LEU 37 far 0 68 0 - 6.2-7.7 HB3 ARG 34 - QD1 LEU 37 far 0 68 0 - 6.8-7.1 HB ILE 17 - QD1 LEU 37 far 0 100 0 - 7.7-8.7 HB3 GLN 47 - QD1 LEU 37 far 0 99 0 - 9.0-9.8 HB3 MET 11 - QD1 LEU 37 far 0 100 0 - 9.1-11.2 Violated in 4 structures by 0.04 A. Peak 4816 from cnoeabs.peaks (0.53, 0.72, 26.10 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 19 + QD1 LEU 41 OK 97 98 100 99 1.9-2.6 4378/4377=47, 1306=45...(13) Violated in 0 structures by 0.00 A. Peak 4817 from cnoeabs.peaks (-0.28, 0.72, 26.10 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + QD1 LEU 41 OK 100 100 100 100 2.4-3.3 2.1/4816=96, 538/4438=54...(9) HG2 ARG 55 - QD1 LEU 41 far 0 100 0 - 8.1-9.0 HB3 ARG 55 - QD1 LEU 41 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 4818 from cnoeabs.peaks (0.52, 0.75, 22.71 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 19 + QD2 LEU 41 OK 94 95 100 100 3.8-4.7 4816/2.1=95...(6) Violated in 0 structures by 0.00 A. Peak 4819 from cnoeabs.peaks (0.67, 1.43, 42.54 ppm; 3.57 A): 1 out of 1 assignment used, quality = 0.91: QD1 LEU 43 + HB3 LEU 41 OK 91 93 100 97 2.3-3.1 4820/1.8=70, 2.1/4464=41...(14) Violated in 0 structures by 0.00 A. Peak 4820 from cnoeabs.peaks (0.68, 1.62, 42.54 ppm; 3.59 A): 1 out of 4 assignments used, quality = 0.77: QD1 LEU 43 + HB2 LEU 41 OK 77 78 100 98 2.0-2.6 4819/1.8=71...(12) HB2 ARG 55 - HB2 LEU 68 far 0 31 0 - 9.2-28.0 HB2 ARG 55 - HB3 LEU 68 far 0 43 0 - 9.8-27.0 QD1 ILE 17 - HB2 LEU 41 far 0 76 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (8.14, 0.86, 23.20 ppm; 4.76 A): 2 out of 8 assignments used, quality = 1.00: H LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.2-4.5 4.7=100 H LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.4-4.7 4.7=100 H LEU 68 - QD2 LEU 64 far 8 82 10 - 3.9-11.9 H LYS 27 - QD2 LEU 64 far 3 66 5 - 4.6-23.3 H SER 24 - QD2 LEU 64 far 0 77 0 - 8.2-24.7 H SER 24 - QD1 LEU 68 far 0 97 0 - 8.3-26.5 H SER 24 - QD2 LEU 68 far 0 95 0 - 8.3-25.1 H LYS 27 - QD2 LEU 68 far 0 85 0 - 8.5-25.4 Violated in 0 structures by 0.00 A. Peak 4822 from cnoeabs.peaks (2.01, 2.48, 35.21 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.96: HB2 MET 11 + HG3 GLN 15 OK 96 97 100 98 2.1-3.2 1.8/4823=56, 4726=46...(11) HB2 GLU 18 - HG3 GLN 15 far 0 97 0 - 4.2-5.5 HB3 GLU 18 - HG3 GLN 15 far 0 97 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 4823 from cnoeabs.peaks (1.84, 2.48, 35.21 ppm; 4.21 A increased from 3.96 A): 1 out of 6 assignments used, quality = 1.00: HB3 MET 11 + HG3 GLN 15 OK 100 100 100 100 3.2-4.2 1.8/4822=90...(10) HG LEU 41 - HG3 GLN 15 far 0 63 0 - 5.5-6.7 HB3 GLN 47 - HG3 GLN 15 far 0 95 0 - 6.5-7.7 HB ILE 17 - HG3 GLN 15 far 0 100 0 - 6.8-7.6 HD2 LYS 22 - HG3 GLN 15 far 0 83 0 - 9.7-13.3 HG2 ARG 21 - HG3 GLN 15 far 0 83 0 - 9.9-11.6 Violated in 2 structures by 0.00 A. Peak 4824 from cnoeabs.peaks (3.24, -0.76, 37.72 ppm; 6.00 A): 1 out of 4 assignments used, quality = 0.85: HA VAL 16 + HB3 LEU 19 OK 85 85 100 100 4.1-5.0 4119/3.1=90, 3681=77...(12) HB2 PHE 52 - HB3 LEU 19 far 0 57 0 - 6.6-7.8 HD3 ARG 21 - HB3 LEU 19 far 0 97 0 - 7.3-10.2 HD3 ARG 34 - HB3 LEU 19 far 0 71 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 4825 from cnoeabs.peaks (1.00, 0.53, 23.51 ppm; 3.32 A): 1 out of 2 assignments used, quality = 0.94: QG1 VAL 48 + QD2 LEU 19 OK 94 100 100 94 2.1-2.7 4731/4099=40...(12) QG2 VAL 16 - QD2 LEU 19 far 0 97 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 4826 from cnoeabs.peaks (0.15, 0.53, 23.51 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + QD2 LEU 19 OK 99 100 100 99 3.6-4.4 4581/4825=69...(7) Violated in 0 structures by 0.00 A. Peak 4827 from cnoeabs.peaks (7.15, -0.28, 24.60 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.99: HD1 TRP 51 + QD1 LEU 19 OK 99 99 100 100 2.7-3.6 4679=98, 4574/4751=72...(10) QE PHE 23 - QD1 LEU 19 far 0 65 0 - 7.2-8.2 HD2 HIS 13 - QD1 LEU 19 far 0 68 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 4829 from cnoeabs.peaks (9.01, 1.94, 29.95 ppm; 5.31 A increased from 5.00 A): 1 out of 1 assignment used, quality = 0.57: H SER 30 + HB2 ARG 34 OK 57 63 100 91 5.0-5.3 4828/624=74, 4.4/4324=65 Violated in 0 structures by 0.00 A. Peak 4830 from cnoeabs.peaks (7.79, 4.34, 54.54 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.98: HE21 GLN 15 + HA LEU 41 OK 98 98 100 100 2.8-3.8 4435/3.0=75...(12) Violated in 0 structures by 0.00 A. Peak 4831 from cnoeabs.peaks (2.41, 1.83, 29.96 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.4-2.9 3.0=100 HG2 MET 11 - HB3 GLN 47 far 0 78 0 - 4.0-5.5 HG2 GLU 45 - HB3 GLN 47 far 0 97 0 - 8.8-9.3 HD2 ARG 55 - HB3 GLN 47 far 0 100 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 4832 from cnoeabs.peaks (2.59, 1.83, 29.96 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.99: HB2 GLN 47 + HB3 GLN 47 OK 99 99 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4833 from cnoeabs.peaks (2.54, 1.83, 29.96 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4834 from cnoeabs.peaks (0.84, 2.55, 35.63 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 43 + HG2 GLN 47 OK 89 89 100 100 3.8-5.0 4548/2347=76...(18) Violated in 0 structures by 0.00 A. Peak 4835 from cnoeabs.peaks (7.18, 0.65, 28.41 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 23 + HB2 ARG 55 OK 100 100 100 100 3.3-3.9 4654/1.8=99, 4653=99...(8) HZ PHE 52 - HB2 ARG 55 far 0 100 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 4836 from cnoeabs.peaks (7.26, 1.97, 40.78 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.99: HZ2 TRP 51 + HD3 ARG 55 OK 99 99 100 100 3.7-4.0 4630=98, 2.8/4619=81...(11) Violated in 0 structures by 0.00 A. Peak 4837 from cnoeabs.peaks (8.92, 1.97, 40.78 ppm; 6.00 A increased from 5.40 A): 1 out of 1 assignment used, quality = 0.50: H PHE 52 + HD3 ARG 55 OK 50 93 100 53 4.9-6.1 ~3820=28, 3.6/4611=23 Violated in 4 structures by 0.01 A. Peak 4838 from cnoeabs.peaks (1.29, 4.08, 59.51 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 59 + HA ARG 56 OK 100 100 100 100 2.0-4.1 4841=99, 2.1/4840=47...(5) QG2 THR 59 - HA ARG 21 far 0 93 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 4839 from cnoeabs.peaks (3.42, 1.54, 29.10 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.92: HA ARG 55 + HD3 LYS 58 OK 77 99 80 98 2.1-6.2 3841/3.5=72, 3839/3.5=67...(5) HA ARG 55 + HD2 LYS 58 OK 67 99 70 98 2.6-6.2 3841/3.5=72, 3839/3.5=67...(5) Violated in 2 structures by 0.02 A. Peak 4840 from cnoeabs.peaks (4.06, 4.28, 69.66 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.57: HA ARG 56 + HB THR 59 OK 57 83 100 69 2.7-4.4 4838/2.1=62, 2737/4.0=17 HA SER 24 - HB THR 59 far 0 87 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 4841 from cnoeabs.peaks (4.09, 1.29, 21.73 ppm; 4.05 A): 1 out of 6 assignments used, quality = 0.95: HA ARG 56 + QG2 THR 59 OK 95 99 100 96 2.0-4.1 4838=87, 4640/4504=36...(5) HB THR 46 - QG2 THR 44 far 0 53 0 - 4.3-4.5 HA LYS 58 - QG2 THR 59 far 0 81 0 - 4.5-6.1 HA LYS 39 - QG2 THR 44 far 0 88 0 - 5.7-6.2 HA SER 24 - QG2 THR 59 far 0 98 0 - 6.7-8.9 HA ARG 21 - QG2 THR 59 far 0 90 0 - 10.0-12.8 Violated in 2 structures by 0.00 A. Peak 4842 from cnoeabs.peaks (7.97, 1.29, 21.73 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.97: H LYS 60 + QG2 THR 59 OK 97 97 100 100 2.0-4.4 4.1=100 H HIS 36 - QG2 THR 44 far 0 72 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4844 from cnoeabs.peaks (2.98, 1.77, 32.70 ppm; 5.22 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.0-4.9 4.6=100 HE2 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.0-5.0 4.9=100 HE3 LYS 60 + HB3 LYS 60 OK 94 99 95 100 2.4-5.5 4.9=100 HE3 LYS 62 + HB3 LYS 62 OK 94 99 95 100 2.2-5.4 4.6=100 HE2 LYS 60 - HB3 LYS 62 far 5 100 5 - 5.1-11.8 HE3 LYS 60 - HB3 LYS 62 far 0 100 0 - 5.4-11.6 HE2 LYS 62 - HB3 LYS 60 far 0 99 0 - 5.8-12.3 HE3 LYS 62 - HB3 LYS 60 far 0 97 0 - 5.8-12.4 Violated in 0 structures by 0.00 A. Peak 4845 from cnoeabs.peaks (1.83, 0.85, 24.31 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLN 47 + QD2 LEU 43 OK 100 100 100 100 2.9-3.9 4550=89, 1.8/4548=59...(16) HB3 MET 11 - QD2 LEU 43 far 0 99 0 - 4.4-5.6 HB ILE 17 - QD2 LEU 43 far 0 98 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 4846 from cnoeabs.peaks (2.50, 0.85, 24.31 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.85: HG3 MET 11 + QD2 LEU 43 OK 85 95 90 100 2.0-3.9 4724=82, 1.8/4492=82...(10) HG3 GLN 15 - QD2 LEU 43 poor 19 96 20 - 3.4-4.5 HB2 GLN 15 - QD2 LEU 43 far 0 99 0 - 4.7-5.5 Violated in 4 structures by 0.02 A. Peak 4847 from cnoeabs.peaks (4.68, 0.85, 24.31 ppm; 4.39 A increased from 4.14 A): 1 out of 3 assignments used, quality = 0.73: HA MET 11 + QD2 LEU 43 OK 73 76 100 97 3.6-4.4 3.8/4492=65, 3.8/4846=61...(5) HA THR 44 - QD2 LEU 43 far 0 60 0 - 5.4-5.8 HA HIS 10 - QD2 LEU 43 far 0 100 0 - 5.5-8.0 Violated in 2 structures by 0.00 A. Peak 4848 from cnoeabs.peaks (7.67, 0.85, 24.31 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: HE22 GLN 47 + QD2 LEU 43 OK 100 100 100 100 2.1-3.6 4559=100, 1.7/4558=90...(10) H VAL 48 - QD2 LEU 43 far 0 93 0 - 4.7-5.4 H LYS 39 - QD2 LEU 43 far 0 100 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 4850 from cnoeabs.peaks (1.75, 4.44, 59.02 ppm; 4.14 A): 0 out of 4 assignments used, quality = 0.00: HB3 LYS 62 - HA TYR 57 far 8 78 10 - 3.7-12.8 HB3 ARG 61 - HA TYR 57 far 0 68 0 - 4.5-11.1 HB3 LYS 60 - HA TYR 57 far 0 71 0 - 4.5-10.0 HB3 LYS 58 - HA TYR 57 far 0 78 0 - 5.7-5.9 Violated in 18 structures by 0.87 A. Peak 4851 from cnoeabs.peaks (1.43, 4.44, 59.02 ppm; 5.62 A increased from 4.50 A): 1 out of 7 assignments used, quality = 0.61: HG3 LYS 58 + HA TYR 57 OK 61 68 100 89 5.2-5.4 4718/4614=70, 789/3.6=59, ~37=9 HG3 LYS 62 - HA TYR 57 far 15 100 15 - 2.0-14.9 HG2 LYS 62 - HA TYR 57 far 15 100 15 - 2.6-14.8 HG3 LYS 60 - HA TYR 57 far 5 100 5 - 5.3-10.8 HG2 LYS 60 - HA TYR 57 far 0 100 0 - 6.0-11.6 HG3 ARG 56 - HA TYR 57 far 0 71 0 - 6.3-6.7 HB2 LYS 27 - HA TYR 57 far 0 97 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 4853 from cnoeabs.peaks (3.79, 1.00, 23.57 ppm; 3.67 A): 1 out of 8 assignments used, quality = 0.96: HA ARG 34 + QG1 VAL 48 OK 96 100 100 96 3.5-3.7 4319=66, 4326/4230=47...(7) HA GLN 15 - QG2 VAL 16 far 0 48 0 - 4.9-5.1 HA PHE 52 - QG1 VAL 48 far 0 60 0 - 5.1-5.7 HA THR 14 - QG2 VAL 16 far 0 27 0 - 5.3-5.7 HA ILE 50 - QG1 VAL 48 far 0 96 0 - 6.6-6.9 HA GLN 15 - QG1 VAL 48 far 0 99 0 - 8.1-9.3 HA PHE 52 - QG2 VAL 16 far 0 24 0 - 8.4-9.0 HD3 PRO 32 - QG1 VAL 48 far 0 93 0 - 9.4-9.8 Violated in 1 structures by 0.00 A. Peak 4854 from cnoeabs.peaks (4.33, 1.00, 23.57 ppm; 4.26 A): 1 out of 7 assignments used, quality = 1.00: HA LYS 49 + QG1 VAL 48 OK 100 100 100 100 3.4-3.8 4583=98, 3.0/230=68...(9) HA LYS 22 - QG1 VAL 48 far 0 71 0 - 7.6-8.3 HA LEU 41 - QG1 VAL 48 far 0 93 0 - 7.7-8.3 HA HIS 36 - QG1 VAL 48 far 0 98 0 - 7.7-8.2 HA LEU 41 - QG2 VAL 16 far 0 43 0 - 8.3-9.2 HA ASN 54 - QG2 VAL 16 far 0 24 0 - 9.4-10.6 HA ASN 54 - QG1 VAL 48 far 0 60 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 4855 from cnoeabs.peaks (2.29, 2.80, 42.08 ppm; 4.52 A): 0 out of 4 assignments used, quality = 0.00: HG2 GLN 26 - HE2 LYS 22 far 5 100 5 - 4.0-8.0 HG3 GLN 26 - HE2 LYS 22 far 0 100 0 - 5.0-8.9 HG2 GLU 18 - HE2 LYS 22 far 0 97 0 - 7.8-11.6 HG2 GLN 15 - HE2 LYS 22 far 0 96 0 - 9.9-13.4 Violated in 19 structures by 1.17 A. Peak 4857 from cnoeabs.peaks (0.15, 2.29, 34.10 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 29 + HG3 GLN 26 OK 95 100 95 100 4.5-6.0 ~4196=56, ~4251=53...(11) QD1 LEU 29 + HG2 GLN 26 OK 85 100 85 100 4.5-5.4 ~4196=56, ~4251=53...(10) Violated in 0 structures by 0.00 A. Peak 4858 from cnoeabs.peaks (1.55, 2.29, 34.10 ppm; 5.56 A increased from 4.94 A): 1 out of 5 assignments used, quality = 0.92: HB3 LYS 27 + HG3 GLN 26 OK 92 96 100 96 5.4-5.6 589/95=83, 4.1/4218=77 HB3 LYS 27 - HG2 GLN 26 far 5 96 5 - 5.4-6.9 HG LEU 37 - HG2 GLN 26 far 0 96 0 - 9.4-10.9 QB ALA 31 - HG3 GLN 26 far 0 97 0 - 9.8-10.9 HG LEU 37 - HG3 GLN 26 far 0 96 0 - 9.9-12.1 Violated in 3 structures by 0.00 A. Peak 4859 from cnoeabs.peaks (7.19, 2.29, 34.10 ppm; 6.00 A increased from 5.06 A): 2 out of 6 assignments used, quality = 0.85: HZ PHE 52 + HG2 GLN 26 OK 64 97 100 66 5.0-5.9 4254/4194=43...(3) HZ PHE 52 + HG3 GLN 26 OK 59 97 90 67 4.9-7.3 4254/4194=41...(3) QE PHE 23 - HG3 GLN 26 far 0 93 0 - 6.3-8.2 QE PHE 23 - HG2 GLN 26 far 0 93 0 - 6.6-8.1 H GLU 33 - HG3 GLN 26 far 0 80 0 - 9.2-9.9 H GLU 33 - HG2 GLN 26 far 0 81 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 4862 from cnoeabs.peaks (7.16, 2.84, 42.40 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.97: QE PHE 23 + HE2 LYS 27 OK 97 97 100 100 3.8-5.0 4641/1.8=97, 4652/3.0=70...(16) HZ PHE 52 - HE2 LYS 27 far 0 93 0 - 7.7-11.2 QD TYR 57 - HE2 LYS 27 far 0 85 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 4863 from cnoeabs.peaks (7.17, 2.76, 42.40 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 23 + HE3 LYS 27 OK 100 100 100 100 2.2-3.8 4641=100, 2.2/4647=77...(14) HZ PHE 52 - HE3 LYS 27 far 0 99 0 - 7.1-10.6 QD TYR 57 - HE3 LYS 27 far 0 71 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 4864 from cnoeabs.peaks (7.07, 2.76, 42.40 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 23 + HE3 LYS 27 OK 96 96 100 100 3.1-5.3 2.2/4641=98, 3.8/4647=71...(8) Violated in 0 structures by 0.00 A. Peak 4865 from cnoeabs.peaks (6.95, 2.76, 42.40 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 23 + HE3 LYS 27 OK 100 100 100 100 2.1-4.3 4647=99, 2.2/4641=98...(12) HE3 TRP 51 - HE3 LYS 27 far 0 87 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 4866 from cnoeabs.peaks (3.80, 4.55, 56.86 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 32 + HA SER 30 OK 99 100 100 99 3.9-3.9 4266/3.0=55, 4867/3.0=51...(9) HA ARG 34 - HA SER 30 far 0 92 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 4867 from cnoeabs.peaks (3.80, 4.01, 64.90 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 32 + HB2 SER 30 OK 100 100 100 100 2.5-2.7 4266/1.8=83, 1.8/4291=79...(9) HA ARG 34 - HB2 SER 30 far 0 92 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 4868 from cnoeabs.peaks (4.55, 3.91, 50.04 ppm; 5.74 A increased from 4.60 A): 1 out of 1 assignment used, quality = 1.00: HA SER 30 + HD2 PRO 32 OK 100 100 100 100 5.4-5.5 4866/1.8=99, 3.0/4265=92...(9) Violated in 0 structures by 0.00 A. Peak 4869 from cnoeabs.peaks (3.80, 0.96, 24.23 ppm; 5.34 A increased from 4.75 A): 1 out of 4 assignments used, quality = 0.97: HA ARG 34 + QD1 LEU 37 OK 97 97 100 100 4.9-5.2 3740/3.1=86, 3742/3.1=84...(6) HA GLN 15 - QD1 LEU 37 far 0 99 0 - 6.6-7.5 HA THR 14 - QD1 LEU 37 far 0 95 0 - 9.5-10.3 HD3 PRO 32 - QD1 LEU 37 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 4871 from cnoeabs.peaks (1.47, 0.95, 23.79 ppm; 4.68 A increased from 4.16 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 43 + QG2 VAL 48 OK 100 100 100 100 4.2-4.6 2.1/4480=96, 3.0/4577=83...(8) QB ALA 35 - QG2 VAL 48 far 0 92 0 - 5.6-6.1 HB3 LEU 29 - QG2 VAL 48 far 0 97 0 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 4877 from cnoeabs.peaks (3.98, 2.84, 43.43 ppm; 5.45 A): 0 out of 0 assignments used, quality = 0.00: Peak 4881 from cnoeabs.peaks (1.27, 4.26, 56.50 ppm; 5.58 A increased from 4.70 A): 1 out of 2 assignments used, quality = 0.65: QG2 THR 59 + HA LYS 60 OK 65 85 100 77 4.0-5.4 ~4681=45, ~312=26...(4) QG2 THR 59 - HA LYS 62 lone 1 80 35 3 3.8-10.8 Violated in 0 structures by 0.00 A. Peak 4886 from cnoeabs.peaks (1.84, 1.83, 32.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 60 + HB2 LYS 60 OK 100 100 - 100 HB2 LYS 62 + HB2 LYS 62 OK 93 93 - 100 Peak 4887 from cnoeabs.peaks (2.98, 1.83, 32.76 ppm; 5.49 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.0-5.5 4.9=100 HE3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 3.1-5.5 4.9=100 HE2 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.5-5.5 4.6=100 HE3 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.9-5.5 4.6=100 HE3 LYS 62 - HB2 LYS 60 far 10 100 10 - 4.5-13.0 HE2 LYS 60 - HB2 LYS 62 far 5 96 5 - 4.3-11.6 HE3 LYS 60 - HB2 LYS 62 far 5 96 5 - 5.5-12.3 HE2 LYS 62 - HB2 LYS 60 far 0 100 0 - 6.1-12.9 Violated in 0 structures by 0.00 A. Peak 4890 from cnoeabs.peaks (1.72, 0.46, 23.31 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: HG2 LYS 22 + QD2 LEU 29 OK 100 100 100 100 2.0-2.9 4153=69, 1.8/4155=65...(14) HB3 LEU 37 - QD2 LEU 29 far 0 89 0 - 4.2-5.3 HD2 LYS 49 - QD2 LEU 29 far 0 96 0 - 9.1-11.2 HD3 LYS 49 - QD2 LEU 29 far 0 95 0 - 9.3-11.1 HB2 ARG 56 - QD2 LEU 29 far 0 99 0 - 9.4-11.9 HD3 LYS 39 - QD2 LEU 29 far 0 81 0 - 9.6-11.8 HD2 LYS 39 - QD2 LEU 29 far 0 81 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 4891 from cnoeabs.peaks (1.83, 0.46, 23.31 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.98: HD2 LYS 22 + QD2 LEU 29 OK 96 96 100 100 3.7-4.7 4157=85, 1.8/4159=85...(11) HB3 ARG 34 + QD2 LEU 29 OK 63 63 100 100 3.9-4.6 3.0/4242=66, ~4325=58...(17) HG2 ARG 21 - QD2 LEU 29 far 0 63 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 4892 from cnoeabs.peaks (1.57, 0.15, 26.45 ppm; 5.28 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 37 + QD1 LEU 29 OK 96 96 100 100 3.9-4.3 2.1/4231=97, 2.1/4379=95...(8) HG3 ARG 34 + QD1 LEU 29 OK 93 93 100 100 2.8-3.6 4330=89, 4.0/4326=83...(13) HG2 LYS 49 - QD1 LEU 29 far 0 100 0 - 6.9-8.7 QB ALA 31 - QD1 LEU 29 far 0 93 0 - 7.1-7.3 HB3 LYS 27 - QD1 LEU 29 far 0 96 0 - 7.5-8.4 HG3 LYS 39 - QD1 LEU 29 far 0 65 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 4893 from cnoeabs.peaks (7.90, 4.08, 59.02 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: H LYS 42 + HA LYS 39 OK 99 99 100 99 3.2-3.5 4466=97, 181/3770=61 Violated in 0 structures by 0.00 A. Peak 4894 from cnoeabs.peaks (1.57, 0.72, 26.10 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.98: HG LEU 37 + QD1 LEU 41 OK 98 99 100 100 2.7-3.0 4380=86, 2.1/4377=75...(11) HG3 ARG 34 - QD1 LEU 41 far 0 87 0 - 6.5-7.2 HG3 LYS 39 - QD1 LEU 41 far 0 76 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 4525 from aronoe.peaks (4.68, 7.07, 119.58 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.87: * HA HIS 10 + HD2 HIS 10 OK 87 100 100 87 2.1-4.4 4.6=87 HA MET 11 - HD2 HIS 10 far 11 71 15 - 3.3-7.3 Violated in 0 structures by 0.00 A. Peak 4526 from aronoe.peaks (3.21, 7.07, 119.58 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 100 100 100 100 3.0-4.0 3.9=100 HA VAL 16 - HD2 HIS 10 far 0 85 0 - 6.5-13.4 HB2 HIS 13 - HD2 HIS 10 far 0 99 0 - 7.6-14.8 Violated in 0 structures by 0.00 A. Peak 4527 from aronoe.peaks (3.09, 7.07, 119.58 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.93: * HB3 HIS 10 + HD2 HIS 10 OK 93 93 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 4528 from aronoe.peaks (7.07, 7.07, 119.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 4533 from aronoe.peaks (3.21, 7.12, 119.47 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.95: * HB2 HIS 13 + HD2 HIS 13 OK 95 99 100 96 2.8-3.9 4.0=94, 4080/4624=29 HA VAL 16 - HD2 HIS 13 far 0 92 0 - 7.5-8.5 HB2 HIS 10 - HD2 HIS 13 far 0 95 0 - 9.3-15.0 HD3 ARG 21 - HD2 HIS 13 far 0 76 0 - 9.3-11.5 Violated in 1 structures by 0.00 A. Peak 4534 from aronoe.peaks (3.27, 7.12, 119.47 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 13 + HD2 HIS 13 OK 99 99 100 100 2.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 4535 from aronoe.peaks (7.12, 7.12, 119.47 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD2 HIS 13 + HD2 HIS 13 OK 99 99 - 100 Peak 4539 from aronoe.peaks (4.76, 7.06, 132.37 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.97: * HA PHE 23 + QD PHE 23 OK 97 100 100 97 2.2-3.1 3.7=71, 3.0/4633=38...(8) Violated in 0 structures by 0.00 A. Peak 4540 from aronoe.peaks (3.15, 7.06, 132.37 ppm; 3.06 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 23 + QD PHE 23 OK 100 100 100 100 2.3-2.7 2.4=100 HD2 ARG 61 - QD PHE 23 far 0 95 0 - 6.8-15.8 HD3 ARG 61 - QD PHE 23 far 0 95 0 - 7.1-15.8 HB3 TYR 57 - QD PHE 23 far 0 96 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 4541 from aronoe.peaks (3.08, 7.06, 132.37 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 23 + QD PHE 23 OK 100 100 100 100 2.3-2.5 2.4=100 HB2 TYR 57 - QD PHE 23 far 0 92 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 4542 from aronoe.peaks (7.06, 7.06, 132.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + QD PHE 23 OK 100 100 - 100 Peak 4543 from aronoe.peaks (7.17, 7.06, 132.37 ppm; 2.65 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 23 + QD PHE 23 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 52 - QD PHE 23 far 0 99 0 - 3.8-4.8 QD TYR 57 - QD PHE 23 far 0 68 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 4544 from aronoe.peaks (6.95, 7.06, 132.37 ppm; 3.92 A increased from 3.30 A): 2 out of 3 assignments used, quality = 1.00: * HZ PHE 23 + QD PHE 23 OK 100 100 100 100 3.8-3.8 3.8=100 HE3 TRP 51 + QD PHE 23 OK 48 76 65 98 3.6-4.8 2.5/4637=65...(10) HE21 GLN 53 - QD PHE 23 far 0 93 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 4545 from aronoe.peaks (7.06, 7.17, 130.75 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + QE PHE 23 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4546 from aronoe.peaks (7.17, 7.17, 130.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + QE PHE 23 OK 100 100 - 100 Peak 4547 from aronoe.peaks (6.95, 7.17, 130.75 ppm; 2.65 A): 1 out of 3 assignments used, quality = 1.00: * HZ PHE 23 + QE PHE 23 OK 100 100 100 100 2.2-2.2 2.2=100 HE3 TRP 51 - QE PHE 23 far 0 75 0 - 4.4-5.9 HE21 GLN 53 - QE PHE 23 far 0 92 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 4548 from aronoe.peaks (7.06, 6.95, 128.74 ppm; 4.03 A increased from 3.79 A): 1 out of 1 assignment used, quality = 0.99: * QD PHE 23 + HZ PHE 23 OK 99 99 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 4549 from aronoe.peaks (7.17, 6.95, 128.74 ppm; 2.72 A): 1 out of 3 assignments used, quality = 0.99: * QE PHE 23 + HZ PHE 23 OK 99 99 100 100 2.2-2.2 2.2=100 HZ PHE 52 - HZ PHE 23 far 0 98 0 - 8.0-9.0 QD TYR 57 - HZ PHE 23 far 0 66 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 4550 from aronoe.peaks (6.95, 6.95, 128.74 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 23 + HZ PHE 23 OK 99 99 - 100 Peak 4552 from aronoe.peaks (3.37, 7.31, 120.87 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HD2 HIS 25 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 4553 from aronoe.peaks (3.31, 7.31, 120.87 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HD2 HIS 25 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 4554 from aronoe.peaks (7.31, 7.31, 120.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HD2 HIS 25 OK 100 100 - 100 Peak 4558 from aronoe.peaks (4.72, 7.13, 133.55 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-3.1 3.7=100 HA HIS 25 - QD TYR 28 far 0 83 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4559 from aronoe.peaks (2.95, 7.13, 133.55 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-2.7 2.5=100 HE3 LYS 22 - QD TYR 28 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 4560 from aronoe.peaks (2.72, 7.13, 133.55 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-2.7 2.5=100 HD2 ARG 56 - QD TYR 28 far 0 100 0 - 4.0-6.7 Violated in 0 structures by 0.00 A. Peak 4561 from aronoe.peaks (7.13, 7.13, 133.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + QD TYR 28 OK 100 100 - 100 Peak 4562 from aronoe.peaks (6.79, 7.13, 133.55 ppm; 2.42 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + QD TYR 28 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4563 from aronoe.peaks (7.13, 6.79, 117.71 ppm; 2.47 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 28 + QE TYR 28 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 57 - QE TYR 28 far 0 88 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 4564 from aronoe.peaks (6.79, 6.79, 117.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + QE TYR 28 OK 100 100 - 100 Peak 4566 from aronoe.peaks (3.19, 7.04, 119.63 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.94: HB3 HIS 36 + HD2 HIS 36 OK 88 97 100 90 2.7-2.9 4.0=80, 3735/4626=39, 636/5.9=17 * HB2 HIS 36 + HD2 HIS 36 OK 52 97 65 81 3.2-3.9 4.0=80, 1927/5.9=7 Violated in 0 structures by 0.00 A. Peak 4567 from aronoe.peaks (3.19, 7.04, 119.63 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.94: * HB3 HIS 36 + HD2 HIS 36 OK 88 98 100 90 2.7-2.9 4.0=80, 3735/4626=40, 636/5.9=17 HB2 HIS 36 + HD2 HIS 36 OK 52 98 65 81 3.2-3.9 4.0=80, 1927/5.9=7 Violated in 0 structures by 0.00 A. Peak 4568 from aronoe.peaks (7.04, 7.04, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HD2 HIS 36 + HD2 HIS 36 OK 98 98 - 100 Peak 4572 from aronoe.peaks (4.01, 7.14, 127.06 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.95: * HA TRP 51 + HD1 TRP 51 OK 95 99 100 96 3.0-3.2 2517=71, 3.0/4574=71...(4) Violated in 0 structures by 0.00 A. Peak 4573 from aronoe.peaks (3.50, 7.14, 127.06 ppm; 4.06 A increased from 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HD1 TRP 51 OK 100 100 100 100 3.8-3.9 3.9=100 HB3 PHE 52 - HD1 TRP 51 far 0 64 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 4574 from aronoe.peaks (3.29, 7.14, 127.06 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.88: * HB3 TRP 51 + HD1 TRP 51 OK 88 100 100 88 2.7-2.8 3.9=59, 3.0/4572=40...(5) HB2 PHE 52 - HD1 TRP 51 far 0 87 0 - 7.8-8.7 HD3 ARG 34 - HD1 TRP 51 far 0 77 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 4575 from aronoe.peaks (7.14, 7.14, 127.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 51 + HD1 TRP 51 OK 100 100 - 100 Peak 4577 from aronoe.peaks (9.95, 7.14, 127.06 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 51 + HD1 TRP 51 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 4582 from aronoe.peaks (6.97, 6.97, 121.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HE3 TRP 51 + HE3 TRP 51 OK 97 97 - 100 Peak 4584 from aronoe.peaks (5.72, 6.97, 121.06 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.97: * HZ3 TRP 51 + HE3 TRP 51 OK 97 97 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 4588 from aronoe.peaks (6.97, 5.72, 120.81 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + HZ3 TRP 51 OK 100 100 100 100 2.5-2.5 2.5=100 HZ PHE 23 - HZ3 TRP 51 far 0 77 0 - 5.5-6.8 Violated in 0 structures by 0.00 A. Peak 4590 from aronoe.peaks (5.72, 5.72, 120.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 51 + HZ3 TRP 51 OK 100 100 - 100 Peak 4592 from aronoe.peaks (6.44, 5.72, 120.81 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 51 + HZ3 TRP 51 OK 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 4595 from aronoe.peaks (9.95, 7.25, 114.03 ppm; 3.23 A): 1 out of 1 assignment used, quality = 0.99: * HE1 TRP 51 + HZ2 TRP 51 OK 99 99 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 4596 from aronoe.peaks (5.72, 7.25, 114.03 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: * HZ3 TRP 51 + HZ2 TRP 51 OK 99 99 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 4597 from aronoe.peaks (7.25, 7.25, 114.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ2 TRP 51 + HZ2 TRP 51 OK 99 99 - 100 Peak 4598 from aronoe.peaks (6.44, 7.25, 114.03 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 51 + HZ2 TRP 51 OK 99 99 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 4602 from aronoe.peaks (5.72, 6.44, 123.43 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.99: * HZ3 TRP 51 + HH2 TRP 51 OK 99 99 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 4603 from aronoe.peaks (7.25, 6.44, 123.43 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 51 + HH2 TRP 51 OK 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 4604 from aronoe.peaks (6.44, 6.44, 123.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 51 + HH2 TRP 51 OK 100 100 - 100 Peak 4605 from aronoe.peaks (3.76, 7.75, 131.45 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + QD PHE 52 OK 100 100 100 100 3.0-3.0 3.7=100 HA ILE 50 - QD PHE 52 far 0 89 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 4606 from aronoe.peaks (3.27, 7.75, 131.45 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.99: * HB2 PHE 52 + QD PHE 52 OK 99 99 100 100 2.3-2.5 2.5=100 HD3 ARG 34 - QD PHE 52 far 0 100 0 - 4.3-5.9 HB3 TRP 51 - QD PHE 52 far 0 71 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 4607 from aronoe.peaks (3.53, 7.75, 131.45 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 52 + QD PHE 52 OK 100 100 100 100 2.3-2.5 2.5=100 HB2 TRP 51 + QD PHE 52 OK 56 63 100 90 2.8-3.2 4.3/747=50, 4.2/4699=47...(6) HD2 ARG 34 - QD PHE 52 far 0 93 0 - 4.7-6.3 Violated in 0 structures by 0.00 A. Peak 4608 from aronoe.peaks (7.75, 7.75, 131.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 52 + QD PHE 52 OK 100 100 - 100 Peak 4609 from aronoe.peaks (7.53, 7.75, 131.45 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 52 + QD PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 H TYR 28 - QD PHE 52 far 0 73 0 - 4.6-5.5 HE22 GLN 53 - QD PHE 52 far 0 71 0 - 7.6-10.0 Violated in 0 structures by 0.00 A. Peak 4610 from aronoe.peaks (7.18, 7.75, 131.45 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 52 + QD PHE 52 OK 100 100 100 100 3.8-3.8 3.8=100 QE PHE 23 + QD PHE 52 OK 100 100 100 100 2.6-3.4 2.2/4631=84, 4635=68...(10) Violated in 0 structures by 0.00 A. Peak 4611 from aronoe.peaks (7.75, 7.53, 131.87 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 52 + QE PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 H ARG 56 - QE PHE 52 far 0 100 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 4612 from aronoe.peaks (7.53, 7.53, 131.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 52 + QE PHE 52 OK 100 100 - 100 Peak 4613 from aronoe.peaks (7.18, 7.53, 131.87 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 52 + QE PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 QE PHE 23 - QE PHE 52 far 0 100 0 - 4.1-4.7 Violated in 0 structures by 0.00 A. Peak 4614 from aronoe.peaks (4.44, 7.15, 132.89 ppm; 3.20 A increased from 3.01 A): 1 out of 3 assignments used, quality = 0.96: * HA TYR 57 + QD TYR 57 OK 96 100 100 96 2.9-3.1 2798=83, 3.0/783=33...(7) HA SER 66 - QD TYR 57 far 0 94 0 - 4.6-20.6 HA SER 65 - QD TYR 57 far 0 100 0 - 5.7-18.3 Violated in 0 structures by 0.00 A. Peak 4615 from aronoe.peaks (3.09, 7.15, 132.89 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + QD TYR 57 OK 100 100 100 100 2.4-2.4 2.5=100 Violated in 0 structures by 0.00 A. Peak 4616 from aronoe.peaks (3.17, 7.15, 132.89 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 57 + QD TYR 57 OK 100 100 100 100 2.4-2.4 2.5=100 HD3 ARG 61 - QD TYR 57 far 0 70 0 - 4.6-14.0 HD2 ARG 61 - QD TYR 57 far 0 70 0 - 5.4-13.2 Violated in 0 structures by 0.00 A. Peak 4617 from aronoe.peaks (7.15, 7.15, 132.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + QD TYR 57 OK 100 100 - 100 Peak 4618 from aronoe.peaks (6.82, 7.15, 132.89 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 57 + QD TYR 57 OK 100 100 100 100 2.2-2.2 2.2=100 QE TYR 28 - QD TYR 57 far 0 64 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 4619 from aronoe.peaks (7.15, 6.82, 117.88 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + QE TYR 57 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4620 from aronoe.peaks (6.81, 6.82, 117.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 57 + QE TYR 57 OK 100 100 - 100 Peak 4621 from aronoe.peaks (1.39, 7.12, 119.47 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.92: HG13 ILE 17 + HD2 HIS 13 OK 92 95 100 97 3.8-4.6 2.1/4624=87, 1.8/4623=77 Violated in 1 structures by 0.00 A. Peak 4622 from aronoe.peaks (1.21, 7.12, 119.47 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.90: QG2 THR 14 + HD2 HIS 13 OK 90 98 100 92 4.1-4.6 4745=82, 4079/4624=54 Violated in 0 structures by 0.00 A. Peak 4623 from aronoe.peaks (1.07, 7.12, 119.47 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.86: HG12 ILE 17 + HD2 HIS 13 OK 86 88 100 98 3.0-4.1 2.1/4624=89, 1.8/4621=81 Violated in 0 structures by 0.00 A. Peak 4624 from aronoe.peaks (0.69, 7.12, 119.47 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.93: QD1 ILE 17 + HD2 HIS 13 OK 93 96 100 97 2.0-2.6 4082=59, 2.1/4621=57...(5) QD1 LEU 41 - HD2 HIS 13 far 0 60 0 - 9.3-10.2 HB2 LEU 19 - HD2 HIS 13 far 0 84 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 4626 from aronoe.peaks (4.07, 7.04, 119.63 ppm; 4.47 A increased from 4.21 A): 1 out of 3 assignments used, quality = 0.78: HA GLU 33 + HD2 HIS 36 OK 78 98 100 79 3.4-4.5 3735/4.0=67, 985/5.9=37 HA LEU 37 - HD2 HIS 36 lone 1 92 45 1 3.7-7.5 HA LYS 39 - HD2 HIS 36 far 0 94 0 - 9.0-10.7 Violated in 2 structures by 0.00 A. Peak 4627 from aronoe.peaks (4.22, 7.06, 132.37 ppm; 4.63 A increased from 4.35 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 20 + QD PHE 23 OK 100 100 100 100 3.9-4.6 3707/2.4=88, 3709/2.4=83...(7) HA ARG 61 - QD PHE 23 far 0 83 0 - 9.2-13.8 HA GLU 18 - QD PHE 23 far 0 60 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 4628 from aronoe.peaks (4.08, 7.06, 132.37 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.98: HA SER 24 + QD PHE 23 OK 98 100 100 98 2.9-4.2 4178=70, 3.0/4632=60...(6) HA ARG 56 - QD PHE 23 far 0 100 0 - 5.3-6.1 HA ARG 21 - QD PHE 23 far 0 97 0 - 6.5-7.2 HA LYS 58 - QD PHE 23 far 0 68 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4629 from aronoe.peaks (3.90, 7.06, 132.37 ppm; 3.88 A increased from 3.65 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 27 + QD PHE 23 OK 99 100 100 100 2.7-3.9 4202=89, 4639/2.2=72...(8) Violated in 0 structures by 0.00 A. Peak 4630 from aronoe.peaks (7.53, 7.06, 132.37 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 52 + QD PHE 23 OK 99 100 100 99 2.5-3.0 4700=69, 2.2/4631=60...(13) H TYR 28 - QD PHE 23 far 0 60 0 - 5.5-6.7 H GLU 18 - QD PHE 23 far 0 83 0 - 9.8-10.3 HE21 GLN 63 - QD PHE 23 far 0 100 0 - 9.9-22.1 Violated in 0 structures by 0.00 A. Peak 4631 from aronoe.peaks (7.76, 7.06, 132.37 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.93: QD PHE 52 + QD PHE 23 OK 93 95 100 98 2.1-2.8 2.2/4630=71, 4698=48...(11) H ARG 56 - QD PHE 23 far 0 95 0 - 4.8-6.1 Violated in 0 structures by 0.00 A. Peak 4632 from aronoe.peaks (8.13, 7.06, 132.37 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: H SER 24 + QD PHE 23 OK 100 100 100 100 3.3-4.1 4.4=92, 78/2.4=74...(7) H LYS 27 - QD PHE 23 far 0 97 0 - 5.3-6.2 H LEU 68 - QD PHE 23 far 0 96 0 - 9.4-24.4 Violated in 0 structures by 0.00 A. Peak 4633 from aronoe.peaks (8.99, 7.06, 132.37 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: H PHE 23 + QD PHE 23 OK 100 100 100 100 4.0-4.2 4.6=79, 3.0/4539=78...(6) H SER 30 - QD PHE 23 far 0 95 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 4634 from aronoe.peaks (7.54, 7.17, 130.75 ppm; 4.90 A increased from 4.13 A): 1 out of 3 assignments used, quality = 0.91: QE PHE 52 + QE PHE 23 OK 91 91 100 100 4.1-4.7 4630/2.2=89, ~4631=68...(9) H TYR 57 - QE PHE 23 far 0 82 0 - 5.6-6.4 HE21 GLN 63 - QE PHE 23 far 0 95 0 - 8.1-20.3 Violated in 0 structures by 0.00 A. Peak 4635 from aronoe.peaks (7.75, 7.17, 130.75 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.99: QD PHE 52 + QE PHE 23 OK 99 100 100 99 2.6-3.4 4631/2.2=71, 2.2/4634=48...(10) H ARG 56 + QE PHE 23 OK 45 100 45 100 3.5-4.4 4672=62, 3.0/4638=54...(13) H THR 59 - QE PHE 23 far 0 72 0 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 4636 from aronoe.peaks (6.45, 7.06, 132.37 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 51 + QD PHE 23 OK 99 99 100 100 3.5-4.3 2.4/4637=77, 4721/2.4=76...(9) Violated in 0 structures by 0.00 A. Peak 4637 from aronoe.peaks (5.74, 7.06, 132.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.84: HZ3 TRP 51 + QD PHE 23 OK 84 85 100 99 2.0-3.5 4167/2.4=58, 2.4/4636=58...(10) Violated in 0 structures by 0.00 A. Peak 4638 from aronoe.peaks (4.09, 7.17, 130.75 ppm; 4.24 A increased from 3.77 A): 1 out of 4 assignments used, quality = 0.95: HA ARG 56 + QE PHE 23 OK 95 95 100 100 3.3-4.1 4640/2.2=88, 4673=88...(9) HA SER 24 - QE PHE 23 far 0 92 0 - 4.3-5.5 HA LYS 58 - QE PHE 23 far 0 89 0 - 8.2-9.4 HA ARG 21 - QE PHE 23 far 0 80 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 4639 from aronoe.peaks (3.90, 7.17, 130.75 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 27 + QE PHE 23 OK 98 98 100 100 2.4-3.8 4201=69, 4629/2.2=65...(14) HB3 SER 65 - QE PHE 23 far 0 64 0 - 8.2-20.1 Violated in 0 structures by 0.00 A. Peak 4640 from aronoe.peaks (4.09, 6.95, 128.74 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.88: HA ARG 56 + HZ PHE 23 OK 88 90 100 98 2.1-3.4 4674=69, 4638/2.2=45...(10) HA SER 24 - HZ PHE 23 far 0 87 0 - 6.4-7.6 HA LYS 58 - HZ PHE 23 far 0 93 0 - 8.6-9.5 Violated in 1 structures by 0.00 A. Peak 4641 from aronoe.peaks (2.76, 7.17, 130.75 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.99: HE3 LYS 27 + QE PHE 23 OK 99 100 100 100 2.2-3.8 4863=51, 4647/2.2=49...(14) Violated in 0 structures by 0.00 A. Peak 4642 from aronoe.peaks (2.85, 7.17, 130.75 ppm; 4.65 A increased from 4.38 A): 2 out of 4 assignments used, quality = 0.95: HE2 LYS 27 + QE PHE 23 OK 79 88 90 100 3.8-5.0 1.8/4641=95, 4862=66...(16) HD3 ARG 56 + QE PHE 23 OK 77 97 80 100 2.6-5.5 3.0/4646=87, 3.0/4643=82...(14) HE2 LYS 58 - QE PHE 23 far 0 88 0 - 6.9-11.3 HE3 LYS 58 - QE PHE 23 far 0 88 0 - 7.8-10.9 Violated in 0 structures by 0.00 A. Peak 4643 from aronoe.peaks (2.21, 7.17, 130.75 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.94: HG2 ARG 56 + QE PHE 23 OK 94 95 100 100 2.7-3.6 1.8/4646=81, 4648/2.2=47...(12) HB3 GLN 53 - QE PHE 23 far 0 98 0 - 7.3-8.1 Violated in 2 structures by 0.00 A. Peak 4644 from aronoe.peaks (2.03, 7.17, 130.75 ppm; 4.63 A increased from 4.36 A): 1 out of 5 assignments used, quality = 0.99: HB3 ARG 56 + QE PHE 23 OK 99 99 100 100 4.0-4.6 3.0/4646=87, 3.0/4643=82...(13) HB2 GLN 26 - QE PHE 23 far 0 97 0 - 7.0-8.1 HB2 LYS 22 - QE PHE 23 far 0 72 0 - 7.7-9.2 HB3 GLN 26 - QE PHE 23 far 0 97 0 - 7.8-8.8 HB3 GLU 20 - QE PHE 23 far 0 98 0 - 8.3-8.9 Violated in 2 structures by 0.00 A. Peak 4645 from aronoe.peaks (1.75, 7.17, 130.75 ppm; 5.05 A increased from 4.49 A): 1 out of 5 assignments used, quality = 0.59: HB2 ARG 56 + QE PHE 23 OK 59 59 100 100 2.4-5.1 3.0/4646=94, 3.0/4643=90...(13) HB3 ARG 61 - QE PHE 23 far 0 75 0 - 6.0-13.9 HB3 LYS 58 - QE PHE 23 far 0 84 0 - 6.6-8.9 HB3 LYS 62 - QE PHE 23 far 0 70 0 - 7.0-15.7 HB3 LYS 60 - QE PHE 23 far 0 62 0 - 7.4-10.4 Violated in 1 structures by 0.00 A. Peak 4646 from aronoe.peaks (1.46, 7.17, 130.75 ppm; 3.29 A): 1 out of 6 assignments used, quality = 0.97: HG3 ARG 56 + QE PHE 23 OK 97 100 100 98 2.0-3.2 1.8/4643=61, 4649/2.2=47...(10) HG3 LYS 58 - QE PHE 23 far 0 100 0 - 6.3-9.6 HB3 LEU 29 - QE PHE 23 far 0 99 0 - 7.6-9.1 HG3 LYS 62 - QE PHE 23 far 0 75 0 - 7.9-15.8 HG3 LYS 60 - QE PHE 23 far 0 59 0 - 7.9-11.5 HG2 LYS 62 - QE PHE 23 far 0 75 0 - 8.1-15.3 Violated in 0 structures by 0.00 A. Peak 4647 from aronoe.peaks (2.77, 6.95, 128.74 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.99: HE3 LYS 27 + HZ PHE 23 OK 99 99 100 100 2.1-4.3 4641/2.2=87, 3.0/4657=69...(12) Violated in 0 structures by 0.00 A. Peak 4648 from aronoe.peaks (2.22, 6.95, 128.74 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.74: HG2 ARG 56 + HZ PHE 23 OK 74 74 100 100 2.0-4.0 1.8/4649=85, 4643/2.2=79...(9) HB3 GLN 53 - HZ PHE 23 far 0 99 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 4649 from aronoe.peaks (1.45, 6.95, 128.74 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.99: HG3 ARG 56 + HZ PHE 23 OK 99 99 100 100 2.0-3.5 4646/2.2=82, 1.8/4648=66...(10) HG3 LYS 58 - HZ PHE 23 far 0 99 0 - 6.6-10.1 HG2 LYS 60 - HZ PHE 23 far 0 74 0 - 7.3-12.6 HG3 LYS 62 - HZ PHE 23 far 0 88 0 - 7.4-16.7 HG2 LYS 62 - HZ PHE 23 far 0 88 0 - 7.8-16.5 HG3 LYS 60 - HZ PHE 23 far 0 76 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 4650 from aronoe.peaks (0.66, 7.06, 132.37 ppm; 4.64 A increased from 4.36 A): 1 out of 3 assignments used, quality = 0.97: HB2 ARG 55 + QD PHE 23 OK 97 98 100 99 4.0-4.6 4653/2.2=73, ~4654=57...(7) HG2 LYS 27 - QD PHE 23 far 0 65 0 - 5.4-6.2 QD1 LEU 43 - QD PHE 23 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 4651 from aronoe.peaks (-0.29, 7.06, 132.37 ppm; 4.77 A increased from 4.24 A): 2 out of 3 assignments used, quality = 0.97: HB3 ARG 55 + QD PHE 23 OK 93 93 100 100 4.1-4.9 1.8/4650=82, 4654/2.2=80...(7) HG2 ARG 55 + QD PHE 23 OK 58 98 60 98 4.4-5.1 3.0/4650=68, ~4653=51...(7) QD1 LEU 19 - QD PHE 23 far 0 96 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 4652 from aronoe.peaks (1.32, 7.17, 130.75 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.88: HD3 LYS 27 + QE PHE 23 OK 85 86 100 99 2.7-3.6 3.0/4641=55, 1.8/4209=44...(14) QG2 THR 59 + QE PHE 23 OK 20 77 45 58 2.8-4.5 4838/4673=29...(3) Violated in 0 structures by 0.00 A. Peak 4653 from aronoe.peaks (0.64, 7.17, 130.75 ppm; 3.87 A): 1 out of 3 assignments used, quality = 0.96: HB2 ARG 55 + QE PHE 23 OK 96 99 100 97 3.3-3.9 1.8/4654=61, 4658/2.2=51...(8) HG2 LYS 27 - QE PHE 23 far 0 95 0 - 4.7-5.2 QD1 LEU 43 - QE PHE 23 far 0 96 0 - 9.7-11.0 Violated in 1 structures by 0.00 A. Peak 4654 from aronoe.peaks (-0.30, 7.17, 130.75 ppm; 4.38 A increased from 4.13 A): 1 out of 3 assignments used, quality = 0.75: HB3 ARG 55 + QE PHE 23 OK 75 80 95 99 3.5-4.5 1.8/4653=89, ~4658=49...(8) HG2 ARG 55 - QE PHE 23 far 0 89 0 - 4.6-5.5 QD1 LEU 19 - QE PHE 23 far 0 84 0 - 7.2-8.2 Violated in 3 structures by 0.01 A. Peak 4655 from aronoe.peaks (-0.41, 7.17, 130.75 ppm; 4.29 A): 0 out of 0 assignments used, quality = 0.00: Peak 4656 from aronoe.peaks (1.30, 6.95, 128.74 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.77: HD3 LYS 27 + HZ PHE 23 OK 58 58 100 99 2.5-3.9 1.8/4657=61, 4652/2.2=53...(13) QG2 THR 59 + HZ PHE 23 OK 46 95 60 80 3.0-4.5 4841/4640=46, 4504=41 Violated in 0 structures by 0.00 A. Peak 4657 from aronoe.peaks (1.23, 6.95, 128.74 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 27 + HZ PHE 23 OK 99 99 100 100 2.3-4.1 4209/2.2=60, 3.0/4647=58...(13) Violated in 0 structures by 0.00 A. Peak 4658 from aronoe.peaks (0.64, 6.95, 128.74 ppm; 4.61 A increased from 4.34 A): 1 out of 2 assignments used, quality = 0.80: HB2 ARG 55 + HZ PHE 23 OK 80 93 90 96 3.1-4.9 4653/2.2=86, ~4654=57 HG2 LYS 27 - HZ PHE 23 far 0 99 0 - 4.8-5.8 Violated in 2 structures by 0.02 A. Peak 4659 from aronoe.peaks (4.36, 7.31, 120.87 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.92: HA LYS 22 + HD2 HIS 25 OK 92 98 100 94 2.3-4.5 4146=70, 4161/3.9=49...(4) Violated in 0 structures by 0.00 A. Peak 4660 from aronoe.peaks (8.15, 7.31, 120.87 ppm; 4.76 A): 0 out of 1 assignment used, quality = 0.00: H SER 24 - HD2 HIS 25 poor 13 65 20 - 4.4-7.6 Violated in 17 structures by 1.11 A. Peak 4661 from aronoe.peaks (2.05, 7.31, 120.87 ppm; 4.44 A): 0 out of 4 assignments used, quality = 0.00: HB3 GLN 26 - HD2 HIS 25 far 3 68 5 - 4.1-7.3 HB2 LYS 22 - HD2 HIS 25 far 0 99 0 - 4.6-7.0 HB2 GLN 26 - HD2 HIS 25 far 0 68 0 - 5.6-8.6 HB3 GLU 20 - HD2 HIS 25 far 0 99 0 - 8.5-11.7 Violated in 19 structures by 0.74 A. Peak 4662 from aronoe.peaks (7.51, 7.13, 133.55 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.93: H TYR 28 + QD TYR 28 OK 93 98 100 95 2.1-3.2 601=55, 3.0/1691=53...(5) QE PHE 52 - QD TYR 28 far 0 89 0 - 5.5-6.9 HE22 GLN 53 - QD TYR 28 far 0 97 0 - 6.9-12.4 HE21 GLN 63 - QD TYR 28 far 0 83 0 - 8.2-24.5 Violated in 0 structures by 0.00 A. Peak 4663 from aronoe.peaks (8.14, 7.13, 133.55 ppm; 4.25 A increased from 4.00 A): 1 out of 1 assignment used, quality = 0.83: H LYS 27 + QD TYR 28 OK 83 85 100 97 3.5-4.3 4199=65, 4.0/4666=62...(5) Violated in 3 structures by 0.00 A. Peak 4665 from aronoe.peaks (2.96, 6.79, 117.71 ppm; 4.65 A increased from 4.13 A): 1 out of 5 assignments used, quality = 0.96: HB2 TYR 28 + QE TYR 28 OK 96 96 100 100 4.4-4.5 4.4=100 HE3 LYS 49 - QE TYR 28 far 0 78 0 - 7.3-13.1 HE2 LYS 62 - QE TYR 28 far 0 68 0 - 7.4-18.7 HE3 LYS 62 - QE TYR 28 far 0 60 0 - 7.5-20.1 HE2 LYS 49 - QE TYR 28 far 0 78 0 - 7.6-11.7 Violated in 0 structures by 0.00 A. Peak 4666 from aronoe.peaks (1.57, 7.13, 133.55 ppm; 3.32 A): 1 out of 6 assignments used, quality = 0.97: HB3 LYS 27 + QD TYR 28 OK 97 99 100 98 2.0-3.3 1.8/4667=58, 4670/2.2=51...(9) HG2 LYS 49 - QD TYR 28 far 0 100 0 - 7.4-10.6 HG2 ARG 61 - QD TYR 28 far 0 63 0 - 7.9-16.5 QB ALA 31 - QD TYR 28 far 0 97 0 - 8.0-9.7 HG3 ARG 34 - QD TYR 28 far 0 87 0 - 8.2-10.1 HG3 ARG 61 - QD TYR 28 far 0 65 0 - 8.4-17.9 Violated in 1 structures by 0.00 A. Peak 4667 from aronoe.peaks (1.44, 7.13, 133.55 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.76: HB2 LYS 27 + QD TYR 28 OK 76 76 100 100 2.8-3.8 1.8/4666=85, 4671/2.2=65...(11) HG3 ARG 56 - QD TYR 28 far 0 96 0 - 4.1-6.7 HB3 LEU 29 - QD TYR 28 far 0 83 0 - 6.0-6.3 HG3 LYS 62 - QD TYR 28 far 0 99 0 - 9.7-19.0 HG2 LYS 62 - QD TYR 28 far 0 99 0 - 9.8-19.8 Violated in 0 structures by 0.00 A. Peak 4668 from aronoe.peaks (2.85, 6.79, 117.71 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.37: HD3 ARG 56 + QE TYR 28 OK 37 100 100 38 3.5-3.8 1.8/4669=20...(3) HE2 LYS 27 - QE TYR 28 far 0 96 0 - 4.9-7.9 Violated in 4 structures by 0.00 A. Peak 4669 from aronoe.peaks (2.73, 6.79, 117.71 ppm; 4.55 A increased from 3.64 A): 2 out of 2 assignments used, quality = 0.97: HB3 TYR 28 + QE TYR 28 OK 93 93 100 100 4.4-4.5 4.4=100 HD2 ARG 56 + QE TYR 28 OK 57 84 70 97 3.4-5.1 1.8/4668=94...(4) Violated in 0 structures by 0.00 A. Peak 4670 from aronoe.peaks (1.57, 6.79, 117.71 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.98: HB3 LYS 27 + QE TYR 28 OK 98 98 100 99 2.9-3.9 4666/2.2=81, 1.8/4671=73...(9) HG2 LYS 49 - QE TYR 28 far 0 100 0 - 6.6-11.7 HG2 ARG 61 - QE TYR 28 far 0 62 0 - 6.8-15.0 HG3 ARG 61 - QE TYR 28 far 0 65 0 - 6.9-16.3 QB ALA 31 - QE TYR 28 far 0 97 0 - 9.2-11.4 HG3 ARG 34 - QE TYR 28 far 0 86 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 4671 from aronoe.peaks (1.44, 6.79, 117.71 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.74: HB2 LYS 27 + QE TYR 28 OK 74 75 100 99 3.3-3.9 1.8/4670=76, 4667/2.2=72...(6) HG3 ARG 56 - QE TYR 28 far 10 95 10 - 3.4-6.2 HB3 LEU 29 - QE TYR 28 far 0 82 0 - 7.7-8.3 HG2 LYS 62 - QE TYR 28 far 0 98 0 - 8.3-19.2 HG3 LYS 62 - QE TYR 28 far 0 98 0 - 8.7-18.5 Violated in 1 structures by 0.00 A. Peak 4672 from aronoe.peaks (1.19, 6.79, 117.71 ppm; 4.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 4673 from aronoe.peaks (7.75, 6.97, 121.06 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.93: QD PHE 52 + HE3 TRP 51 OK 93 93 100 100 2.5-2.8 4699=89, 2.2/4701=63...(10) H ARG 56 - HE3 TRP 51 far 0 93 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 4674 from aronoe.peaks (3.51, 6.97, 121.06 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.99: HB2 TRP 51 + HE3 TRP 51 OK 96 96 100 100 2.5-2.6 4.2=100 HB3 PHE 52 + HE3 TRP 51 OK 65 65 100 100 3.8-4.6 2.5/4673=83, 3.0/4794=83...(5) Violated in 0 structures by 0.00 A. Peak 4675 from aronoe.peaks (3.76, 6.97, 121.06 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.96: HA PHE 52 + HE3 TRP 51 OK 96 96 100 100 2.4-2.8 4794=99, 2.9/254=59...(10) HA ILE 50 - HE3 TRP 51 far 0 90 0 - 7.3-7.7 HA ARG 34 - HE3 TRP 51 far 0 57 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 4677 from aronoe.peaks (1.97, 7.14, 127.06 ppm; 3.45 A increased from 3.06 A): 1 out of 2 assignments used, quality = 0.82: HD3 ARG 55 + HD1 TRP 51 OK 82 99 100 84 3.2-3.3 4619/2.6=45...(8) HB ILE 50 - HD1 TRP 51 far 0 59 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 4678 from aronoe.peaks (1.02, 7.14, 127.06 ppm; 4.32 A increased from 4.07 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HD1 TRP 51 OK 99 99 100 100 3.7-4.3 4046=75, 4047/2.6=65...(9) QG1 VAL 16 + HD1 TRP 51 OK 81 91 90 100 3.9-4.6 2.1/4046=63, 4048/2.6=59...(11) QG1 VAL 48 - HD1 TRP 51 far 0 79 0 - 6.0-6.8 Violated in 0 structures by 0.00 A. Peak 4679 from aronoe.peaks (-0.27, 7.14, 127.06 ppm; 3.87 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 19 + HD1 TRP 51 OK 95 99 100 96 2.7-3.6 4751/4574=39, 4827=38...(10) HG2 ARG 55 - HD1 TRP 51 far 0 97 0 - 4.9-5.3 HB3 ARG 55 - HD1 TRP 51 far 0 99 0 - 5.7-7.0 Violated in 0 structures by 0.00 A. Peak 4680 from aronoe.peaks (-0.27, 6.97, 121.06 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HE3 TRP 51 OK 91 92 100 99 3.3-4.3 2.1/4101=81, 4679/5.1=52...(7) HG2 ARG 55 + HE3 TRP 51 OK 77 89 100 87 4.0-4.8 4696/4.3=61...(6) HB3 ARG 55 + HE3 TRP 51 OK 32 94 75 46 4.0-6.3 3820/4794=33, 4757/5.0=8...(4) Violated in 0 structures by 0.00 A. Peak 4681 from aronoe.peaks (8.41, 6.44, 123.43 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: H GLU 20 + HH2 TRP 51 OK 100 100 100 100 3.2-4.0 4126=91, 3.0/4685=90...(9) Violated in 0 structures by 0.00 A. Peak 4684 from aronoe.peaks (4.23, 7.25, 114.03 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.99: HA GLU 20 + HZ2 TRP 51 OK 99 99 100 100 3.1-4.1 4685/2.5=89, 4129=66...(9) Violated in 0 structures by 0.00 A. Peak 4685 from aronoe.peaks (4.22, 6.44, 123.43 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.98: HA GLU 20 + HH2 TRP 51 OK 98 99 100 99 2.0-2.3 4131=75, 4684/2.5=35...(11) HA GLU 18 - HH2 TRP 51 far 0 61 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 4686 from aronoe.peaks (3.08, 6.44, 123.43 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: HB3 PHE 23 + HH2 TRP 51 OK 99 99 100 100 2.7-3.5 1.8/4721=78, 4167/2.4=62...(7) Violated in 0 structures by 0.00 A. Peak 4688 from aronoe.peaks (2.45, 7.25, 114.03 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.94: HG2 GLU 20 + HZ2 TRP 51 OK 94 97 100 97 2.1-2.7 4132=41, 1.8/4133=39...(10) HG3 MET 11 - HZ2 TRP 51 far 0 55 0 - 7.4-10.0 HB2 ASN 54 - HZ2 TRP 51 far 0 78 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 4689 from aronoe.peaks (1.99, 7.25, 114.03 ppm; 3.96 A): 1 out of 8 assignments used, quality = 0.80: HD3 ARG 55 + HZ2 TRP 51 OK 80 88 100 90 3.7-4.0 4619/2.8=32, 4836=31...(9) HB2 MET 11 - HZ2 TRP 51 far 0 97 0 - 7.1-9.3 HB2 GLU 18 - HZ2 TRP 51 far 0 97 0 - 7.4-7.9 HB2 ARG 21 - HZ2 TRP 51 far 0 78 0 - 7.8-8.8 HB3 GLU 67 - HZ2 TRP 51 far 0 61 0 - 8.0-34.9 HB3 GLU 18 - HZ2 TRP 51 far 0 97 0 - 8.1-9.0 HB3 ARG 21 - HZ2 TRP 51 far 0 85 0 - 9.1-10.1 HD3 LYS 22 - HZ2 TRP 51 far 0 64 0 - 9.4-11.8 Violated in 2 structures by 0.00 A. Peak 4690 from aronoe.peaks (1.04, 7.25, 114.03 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.95: QG1 VAL 16 + HZ2 TRP 51 OK 95 97 100 99 2.0-2.9 4043=49, 4048/2.8=37...(16) QG2 VAL 16 - HZ2 TRP 51 far 0 58 0 - 4.1-4.9 Violated in 0 structures by 0.00 A. Peak 4691 from aronoe.peaks (2.47, 6.44, 123.43 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.97: HG2 GLU 20 + HH2 TRP 51 OK 97 97 100 100 2.0-3.3 1.8/4720=66...(9) HG3 GLN 15 - HH2 TRP 51 far 0 93 0 - 8.3-9.6 HG3 MET 11 - HH2 TRP 51 far 0 94 0 - 9.2-11.9 HB2 ASN 54 - HH2 TRP 51 far 0 99 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 4692 from aronoe.peaks (2.19, 6.44, 123.43 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.74: HB2 GLU 20 + HH2 TRP 51 OK 74 74 100 100 3.9-4.6 3.0/4685=90, 3.0/4691=76...(11) HG2 ARG 56 - HH2 TRP 51 far 0 95 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 4693 from aronoe.peaks (2.00, 6.44, 123.43 ppm; 4.13 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLU 18 - HH2 TRP 51 far 0 96 0 - 7.9-8.5 HB3 GLU 18 - HH2 TRP 51 far 0 96 0 - 8.2-8.8 HB2 MET 11 - HH2 TRP 51 far 0 97 0 - 9.0-11.2 Violated in 20 structures by 3.05 A. Peak 4694 from aronoe.peaks (0.70, 7.25, 114.03 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.91: HB2 LEU 19 + HZ2 TRP 51 OK 91 95 100 96 2.9-3.7 4063/4690=62...(6) QD1 LEU 41 - HZ2 TRP 51 far 0 78 0 - 6.4-7.1 QD1 ILE 17 - HZ2 TRP 51 far 0 99 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 4695 from aronoe.peaks (-0.28, 7.25, 114.03 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HZ2 TRP 51 OK 98 99 100 99 3.3-4.1 3.1/4694=58...(11) HG2 ARG 55 + HZ2 TRP 51 OK 96 98 100 99 3.0-3.4 4696/2.5=78, 3.0/4689=72...(7) HB3 ARG 55 - HZ2 TRP 51 far 0 99 0 - 4.8-5.5 Violated in 0 structures by 0.00 A. Peak 4696 from aronoe.peaks (-0.28, 6.44, 123.43 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.83: HG2 ARG 55 + HH2 TRP 51 OK 83 98 100 84 3.3-3.8 ~4689=31, 4695/2.5=28...(9) QD1 LEU 19 - HH2 TRP 51 far 0 99 0 - 4.3-4.9 HB3 ARG 55 - HH2 TRP 51 far 0 99 0 - 4.7-5.3 Violated in 0 structures by 0.00 A. Peak 4697 from aronoe.peaks (-0.40, 6.44, 123.43 ppm; 4.33 A): 0 out of 0 assignments used, quality = 0.00: Peak 4698 from aronoe.peaks (7.05, 7.75, 131.45 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 23 + QD PHE 52 OK 100 100 100 100 2.1-2.8 4630/2.2=92, 4631=91...(11) Violated in 0 structures by 0.00 A. Peak 4699 from aronoe.peaks (6.96, 7.75, 131.45 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.94: HE3 TRP 51 + QD PHE 52 OK 94 95 100 100 2.5-2.8 4673=90, 4701/2.2=61...(10) HZ PHE 23 - QD PHE 52 far 0 97 0 - 4.9-5.7 HE21 GLN 53 - QD PHE 52 far 0 73 0 - 6.7-9.5 Violated in 0 structures by 0.00 A. Peak 4700 from aronoe.peaks (7.07, 7.53, 131.87 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 23 + QE PHE 52 OK 98 98 100 100 2.5-3.0 4630=97, 4631/2.2=71...(13) HD2 HIS 36 - QE PHE 52 far 0 82 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 4701 from aronoe.peaks (6.96, 7.53, 131.87 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.98: HE3 TRP 51 + QE PHE 52 OK 98 100 100 98 3.3-3.5 4673/2.2=79...(7) HZ PHE 23 - QE PHE 52 far 0 84 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 4702 from aronoe.peaks (3.90, 7.53, 131.87 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.90: HA LYS 27 + QE PHE 52 OK 90 100 100 90 3.0-4.1 4629/4630=58...(4) HA THR 46 - QE PHE 52 far 0 100 0 - 8.8-10.0 Violated in 1 structures by 0.00 A. Peak 4703 from aronoe.peaks (4.76, 7.53, 131.87 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.96: HA PHE 23 + QE PHE 52 OK 96 100 100 96 2.0-2.8 4539/4630=62...(7) Violated in 0 structures by 0.00 A. Peak 4704 from aronoe.peaks (1.00, 7.75, 131.45 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 48 + QD PHE 52 OK 100 100 100 100 2.1-2.8 4792=96, 4731/2.2=71...(6) QG2 VAL 16 - QD PHE 52 far 0 95 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 4705 from aronoe.peaks (0.93, 7.53, 131.87 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.91: QD2 LEU 37 + QE PHE 52 OK 91 93 100 98 2.3-3.1 4391=73, 4643/2.2=47...(7) QG2 VAL 48 - QE PHE 52 far 0 82 0 - 4.1-4.7 QG2 ILE 50 - QE PHE 52 far 0 86 0 - 8.1-8.5 QD1 LEU 64 - QE PHE 52 far 0 68 0 - 9.8-22.9 Violated in 0 structures by 0.00 A. Peak 4706 from aronoe.peaks (-0.30, 7.75, 131.45 ppm; 5.60 A increased from 4.72 A): 2 out of 3 assignments used, quality = 0.95: QD1 LEU 19 + QD PHE 52 OK 89 89 100 100 3.9-5.6 2.1/4098=91, ~4099=85...(6) HB3 ARG 55 + QD PHE 52 OK 55 85 75 87 5.0-6.5 4654/4635=53...(5) HG2 ARG 55 - QD PHE 52 far 9 93 10 - 5.6-6.4 Violated in 0 structures by 0.00 A. Peak 4707 from aronoe.peaks (0.53, 7.53, 131.87 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 19 + QE PHE 52 OK 100 100 100 100 2.0-3.2 4099=100, 4098/2.2=51...(11) Violated in 0 structures by 0.00 A. Peak 4708 from aronoe.peaks (0.17, 7.53, 131.87 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.80: QD1 LEU 29 + QE PHE 52 OK 80 80 100 100 2.3-2.9 2.1/4724=59, 4248=49...(13) Violated in 0 structures by 0.00 A. Peak 4709 from aronoe.peaks (4.35, 7.15, 132.89 ppm; 4.22 A increased from 3.56 A): 1 out of 3 assignments used, quality = 0.99: HA ASN 54 + QD TYR 57 OK 99 100 100 99 3.7-4.0 3834/2.5=75, 3832/2.5=71...(6) HA LEU 68 - QD TYR 57 far 0 97 0 - 4.8-24.8 HA LEU 64 - QD TYR 57 far 0 80 0 - 6.7-17.6 Violated in 0 structures by 0.00 A. Peak 4710 from aronoe.peaks (4.12, 7.15, 132.89 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.93: HA LYS 58 + QD TYR 57 OK 93 97 100 96 3.1-3.4 3.0/4717=48, 4.0/4718=48...(6) Violated in 0 structures by 0.00 A. Peak 4712 from aronoe.peaks (3.15, 6.82, 117.88 ppm; 4.62 A increased from 4.10 A): 1 out of 3 assignments used, quality = 0.90: HB3 TYR 57 + QE TYR 57 OK 90 90 100 100 4.4-4.4 4.4=100 HD3 ARG 61 - QE TYR 57 far 10 98 10 - 3.9-15.4 HD2 ARG 61 - QE TYR 57 far 5 98 5 - 4.5-14.3 Violated in 0 structures by 0.00 A. Peak 4713 from aronoe.peaks (3.09, 6.82, 117.88 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 57 + QE TYR 57 OK 100 100 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 4714 from aronoe.peaks (2.50, 7.15, 132.89 ppm; 5.33 A increased from 4.74 A): 1 out of 1 assignment used, quality = 0.74: HB2 ASN 54 + QD TYR 57 OK 74 75 100 99 4.7-5.0 3.0/4709=86, ~3834=58...(5) Violated in 0 structures by 0.00 A. Peak 4715 from aronoe.peaks (2.37, 7.15, 132.89 ppm; 4.85 A): 0 out of 3 assignments used, quality = 0.00: HG3 GLN 53 - QD TYR 57 far 0 100 0 - 5.3-8.9 HG3 GLN 63 - QD TYR 57 far 0 96 0 - 6.5-17.9 HG2 GLN 63 - QD TYR 57 far 0 94 0 - 6.7-16.6 Violated in 20 structures by 1.74 A. Peak 4716 from aronoe.peaks (1.80, 7.15, 132.89 ppm; 5.16 A increased from 4.34 A): 1 out of 5 assignments used, quality = 1.00: HB2 LYS 58 + QD TYR 57 OK 100 100 100 100 4.5-4.9 1.8/4717=86, 2.8/4718=85...(5) HB3 LYS 62 - QD TYR 57 far 7 72 10 - 4.6-13.1 HB2 LYS 62 - QD TYR 57 far 3 59 5 - 4.5-13.9 HB3 LYS 60 - QD TYR 57 far 0 80 0 - 5.3-10.6 HB2 ARG 61 - QD TYR 57 far 0 95 0 - 6.7-11.2 Violated in 0 structures by 0.00 A. Peak 4717 from aronoe.peaks (1.71, 7.15, 132.89 ppm; 4.90 A increased from 3.92 A): 1 out of 4 assignments used, quality = 0.72: HB3 LYS 58 + QD TYR 57 OK 72 72 100 100 3.0-4.7 2.8/4718=80, 3.0/4710=78...(5) HB3 ARG 61 - QD TYR 57 far 0 82 0 - 5.8-11.7 HB2 ARG 56 - QD TYR 57 far 0 92 0 - 6.1-7.1 HD2 LYS 49 - QD TYR 57 far 0 99 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 4718 from aronoe.peaks (1.45, 7.15, 132.89 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.94: HG3 LYS 58 + QD TYR 57 OK 94 99 100 95 2.1-4.3 2.8/4717=51, 4.0/4710=50...(5) HG3 LYS 62 - QD TYR 57 far 4 88 5 - 3.0-15.0 HG2 LYS 62 - QD TYR 57 far 4 88 5 - 3.7-14.9 HG3 LYS 60 - QD TYR 57 far 0 75 0 - 5.6-11.2 HG2 LYS 60 - QD TYR 57 far 0 72 0 - 6.8-11.9 HG3 ARG 56 - QD TYR 57 far 0 100 0 - 8.0-8.2 Violated in 4 structures by 0.01 A. Peak 4719 from aronoe.peaks (0.54, 7.14, 127.06 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 19 + HD1 TRP 51 OK 98 98 100 100 4.4-5.7 2.1/4679=100...(6) Violated in 0 structures by 0.00 A. Peak 4720 from aronoe.peaks (2.41, 6.44, 123.43 ppm; 4.36 A increased from 3.87 A): 1 out of 4 assignments used, quality = 0.82: HG3 GLU 20 + HH2 TRP 51 OK 82 97 85 100 3.1-4.6 1.8/4691=86...(9) HD2 ARG 55 - HH2 TRP 51 far 0 98 0 - 5.9-6.5 HG2 MET 11 - HH2 TRP 51 far 0 61 0 - 8.6-11.3 HG3 GLU 18 - HH2 TRP 51 far 0 98 0 - 9.4-10.1 Violated in 3 structures by 0.03 A. Peak 4721 from aronoe.peaks (3.14, 6.44, 123.43 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.91: HB2 PHE 23 + HH2 TRP 51 OK 91 92 100 100 2.0-3.1 1.8/4686=73...(8) Violated in 0 structures by 0.00 A. Peak 4723 from aronoe.peaks (3.08, 5.72, 120.81 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.99: HB3 PHE 23 + HZ3 TRP 51 OK 99 99 100 100 3.4-4.0 4167=98, 4686/2.4=84...(9) Violated in 0 structures by 0.00 A. Peak 4724 from aronoe.peaks (0.46, 7.53, 131.87 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + QE PHE 52 OK 100 100 100 100 3.9-4.3 2.1/4708=85, 4254/2.2=81...(11) Violated in 0 structures by 0.00 A. Peak 4725 from aronoe.peaks (1.86, 6.97, 121.06 ppm; 5.33 A): 0 out of 4 assignments used, quality = 0.00: HB3 LYS 49 - HE3 TRP 51 far 0 67 0 - 7.9-8.6 HB3 MET 11 - HE3 TRP 51 far 0 72 0 - 8.1-10.2 HB3 ARG 34 - HE3 TRP 51 far 0 97 0 - 8.5-9.7 HG LEU 41 - HE3 TRP 51 far 0 92 0 - 9.1-10.0 Violated in 20 structures by 1.69 A. Peak 4726 from aronoe.peaks (7.55, 6.97, 121.06 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.67: QE PHE 52 + HE3 TRP 51 OK 67 67 100 100 3.3-3.5 2.2/4673=92, 4701=56...(7) H TYR 57 - HE3 TRP 51 far 0 91 0 - 8.3-9.0 H GLU 18 - HE3 TRP 51 far 0 97 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 4727 from aronoe.peaks (3.24, 7.25, 114.03 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.94: HA VAL 16 + HZ2 TRP 51 OK 94 94 100 100 3.8-4.5 3.2/4690=79, 4616/2.8=58...(10) HD3 ARG 21 - HZ2 TRP 51 far 0 99 0 - 7.9-10.6 Violated in 1 structures by 0.00 A. Peak 4728 from aronoe.peaks (8.95, 7.75, 131.45 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.97: H PHE 52 + QD PHE 52 OK 97 97 100 100 2.2-2.4 747=96, 2605/2.5=76...(10) Violated in 0 structures by 0.00 A. Peak 4729 from aronoe.peaks (4.02, 7.75, 131.45 ppm; 5.70 A increased from 4.56 A): 1 out of 2 assignments used, quality = 0.99: HA TRP 51 + QD PHE 52 OK 99 99 100 100 5.4-5.4 3.6/747=91, 4.8/4699=72...(4) HB2 SER 30 - QD PHE 52 far 0 93 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4730 from aronoe.peaks (0.78, 7.53, 131.87 ppm; 4.54 A): 0 out of 2 assignments used, quality = 0.00: QD1 ILE 50 - QE PHE 52 far 0 93 0 - 8.5-9.4 QG2 ILE 17 - QE PHE 52 far 0 75 0 - 8.9-9.7 Violated in 20 structures by 3.59 A. Peak 4731 from aronoe.peaks (1.00, 7.53, 131.87 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 48 + QE PHE 52 OK 99 100 100 99 2.0-2.5 4567=86, 4792/2.2=69...(5) QG2 VAL 16 - QE PHE 52 far 0 93 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.961 Average number of used assignments : 1.463 Average rank of reference assignment: 1.149 Peaks with increased upper limit : 373 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.15 A Atom Residue Shift Peaks Used Expect HD2 ARG 55 2.407 35 7 26 Peaks: selected : 4216 in nnoeabs.peaks : 950 in cnoeabs.peaks : 3098 in aronoe.peaks : 168 assigned : 4153 unassigned : 63 without assignment possibility : 21 with violation below 0.5 A : 13 with violation between 0.5 and 3.0 A : 21 with violation above 3.0 A : 8 in nnoeabs.peaks : 7 in cnoeabs.peaks : 47 in aronoe.peaks : 9 with diagonal assignment : 485 Cross peaks: with off-diagonal assignment : 3668 with unique assignment : 2768 with short-range assignment |i-j|<=1: 2732 with medium-range assignment 1<|i-j|<5 : 569 with long-range assignment |i-j|>=5: 367 Comparison with reference assignment: Cross peaks with reference assignment : 2902 with identical reference assignment : 1978 with compatible reference assignment : 2731 with incompatible reference assignment : 77 with additional reference assignment : 16 with additional assignment : 860